#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkt s VAL 4 N 0.00 3.68 0.79 0.00 1.01 -1.26 -5.13 120.40 119.49 2jkt s VAL 4 Ca 0.00 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.76 2jkt s VAL 4 Cb 0.00 -3.26 0.20 0.00 0.00 0.00 0.00 36.38 33.31 2jkt s VAL 4 CO 0.00 -0.12 0.69 -0.24 0.00 0.00 0.00 175.10 175.43 2jkt n SER 5 N -1.62 -1.78 -3.45 3.32 2.88 -1.26 -5.07 113.62 106.64 2jkt n SER 5 Ca 0.01 -0.91 -0.20 0.00 -1.33 0.00 0.00 58.87 56.44 2jkt n SER 5 Cb 0.59 -0.64 -0.11 0.00 -0.75 0.00 0.00 64.21 63.30 2jkt n SER 5 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2jkt s LYS 6 N -4.57 0.28 -0.06 -1.46 -2.85 -1.26 -5.14 119.74 104.68 2jkt s LYS 6 Ca 0.45 -0.22 -0.01 0.00 -1.00 0.00 0.00 55.97 55.19 2jkt s LYS 6 Cb -0.05 -0.84 -0.03 0.00 -2.06 0.00 0.00 37.83 34.85 2jkt s LYS 6 CO 0.35 -1.00 0.01 0.20 0.10 0.00 0.00 175.35 175.01 2jkt s GLY 7 N 2.29 1.88 0.00 0.59 0.00 -1.26 -5.09 107.32 105.73 2jkt s GLY 7 Ca 0.09 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.97 2jkt s GLY 7 CO -0.32 -0.64 0.00 1.34 0.00 0.00 0.00 173.10 173.48 2jkt n ASP 8 N 1.87 0.00 0.00 1.64 4.64 -1.26 -5.15 116.55 118.29 2jkt n ASP 8 Ca -0.17 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.24 2jkt n ASP 8 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.61 2jkt n ASP 8 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2jkt n GLY 9 N -0.80 3.69 2.71 0.27 0.00 -1.26 -5.12 105.19 104.69 2jkt n GLY 9 Ca 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.54 2jkt n GLY 9 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jkt s MET 10 N -2.48 0.25 0.20 1.61 1.75 -1.26 -5.07 119.30 114.30 2jkt s MET 10 Ca 0.00 -0.21 -0.20 0.00 -1.25 0.00 0.00 55.69 54.03 2jkt s MET 10 Cb 0.00 -0.00 0.16 0.00 2.84 0.00 0.00 34.83 37.83 2jkt s MET 10 CO 0.00 -0.32 1.57 -0.09 -0.65 0.00 0.00 175.02 175.54 2jkt h ARG 11 N 4.58 -0.11 -1.02 4.11 2.43 -1.99 -1.07 114.38 121.31 2jkt h ARG 11 Ca -0.01 0.01 0.26 0.00 -0.81 0.00 0.00 59.98 59.43 2jkt h ARG 11 Cb 1.18 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.63 2jkt h ARG 11 CO -0.09 -0.07 0.61 0.78 -1.51 0.00 0.00 179.97 179.68 2jkt h GLY 12 N -0.11 1.82 0.85 2.80 0.00 -1.98 0.23 103.07 106.68 2jkt h GLY 12 Ca 0.27 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2jkt h GLY 12 CO -0.78 -0.26 -0.39 -2.00 0.00 0.00 0.00 176.54 173.12 2jkt h LEU 13 N 0.52 -0.92 -1.83 3.11 5.85 -1.53 -0.34 115.31 120.17 2jkt h LEU 13 Ca 0.65 0.02 0.30 0.00 0.84 0.00 0.00 57.88 59.70 2jkt h LEU 13 Cb 1.34 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.55 2jkt h LEU 13 CO -0.46 -0.57 0.75 0.00 -0.34 0.00 0.00 178.44 177.82 2jkt h ALA 14 N -1.20 2.82 0.05 1.25 0.00 -1.05 0.97 119.26 122.10 2jkt h ALA 14 Ca -0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2jkt h ALA 14 Cb 0.84 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jkt h ALA 14 CO 0.18 -1.16 -0.48 0.28 0.00 0.00 0.00 179.25 178.08 2jkt h VAL 15 N 0.11 1.55 -0.05 0.00 2.07 -0.83 -1.63 116.25 117.47 2jkt h VAL 15 Ca 0.54 -2.25 0.01 0.00 0.82 0.00 0.00 66.70 65.82 2jkt h VAL 15 Cb 1.93 2.99 -0.00 0.00 -1.52 0.00 0.00 31.29 34.69 2jkt h VAL 15 CO -0.08 0.63 0.05 0.15 0.02 0.00 0.00 177.57 178.33 2jkt h PHE 16 N -0.46 0.00 0.02 1.57 3.57 0.90 -0.15 116.94 122.39 2jkt h PHE 16 Ca -0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 2jkt h PHE 16 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2jkt h PHE 16 CO 0.20 0.00 -0.01 0.82 -2.23 0.00 0.00 178.31 177.09 2jkt h ILE 17 N 0.00 1.40 -0.86 1.41 2.04 -1.03 -2.92 117.51 117.55 2jkt h ILE 17 Ca 0.02 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 63.97 2jkt h ILE 17 Cb 0.11 2.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 2jkt h ILE 17 CO -0.00 0.45 0.51 0.28 0.00 0.00 0.00 178.15 179.38 2jkt h SER 18 N -0.93 1.04 0.06 1.72 0.02 -0.84 1.64 113.55 116.25 2jkt h SER 18 Ca -0.00 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2jkt h SER 18 Cb 0.75 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2jkt h SER 18 CO 0.00 0.81 -0.07 0.44 -1.14 0.00 0.00 176.83 176.87 2jkt h ASP 19 N 1.18 0.04 0.04 3.07 3.32 -1.18 -2.19 116.42 120.69 2jkt h ASP 19 Ca 0.31 -0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.02 2jkt h ASP 19 Cb -0.03 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 2jkt h ASP 19 CO -0.06 0.12 -1.84 0.00 -1.72 0.00 0.00 179.24 175.75 2jkt n ILE 20 N -4.43 1.61 0.08 0.35 3.06 0.04 -3.37 119.36 116.69 2jkt n ILE 20 Ca -0.02 -0.34 0.01 0.00 -2.50 0.00 0.00 62.75 59.90 2jkt n ILE 20 Cb 0.16 -1.86 0.05 0.00 0.54 0.00 0.00 39.64 38.53 2jkt n ILE 20 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2jkt n ARG 21 N -3.99 0.01 0.00 9.51 5.12 0.54 -3.98 116.66 123.86 2jkt n ARG 21 Ca -0.37 0.41 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2jkt n ARG 21 Cb 0.86 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 2jkt n ARG 21 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2jkt n ASN 22 N -1.44 0.00 -2.35 0.55 5.15 -0.83 -5.04 115.26 111.30 2jkt n ASN 22 Ca 0.01 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2jkt n ASN 22 Cb 0.02 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.27 2jkt n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jkt n LYS 24 N 1.87 0.47 -3.72 0.00 4.76 -1.26 -4.78 118.16 115.50 2jkt n LYS 24 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2jkt n LYS 24 Cb 0.05 -1.24 -0.00 0.00 -1.84 0.00 0.00 35.03 32.00 2jkt n LYS 24 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2jkt s SER 25 N -0.47 -0.07 -0.13 4.39 1.04 -1.26 -4.97 113.70 112.23 2jkt s SER 25 Ca 0.00 -0.25 0.09 0.00 0.48 0.00 0.00 55.95 56.26 2jkt s SER 25 Cb 0.00 0.26 0.48 0.00 0.10 0.00 0.00 66.02 66.86 2jkt s SER 25 CO 0.00 -0.49 1.24 1.17 0.98 0.00 0.00 173.24 176.14 2jkt n LYS 26 N -0.56 3.21 0.00 4.02 3.00 -1.26 -3.60 118.16 122.97 2jkt n LYS 26 Ca -0.06 -1.84 0.00 0.00 -0.00 0.00 0.00 58.31 56.41 2jkt n LYS 26 Cb 0.62 -1.91 0.00 0.00 0.00 0.00 0.00 35.03 33.73 2jkt n LYS 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jkt n GLU 27 N 0.40 3.25 0.03 1.64 0.00 -1.26 -4.43 120.64 120.26 2jkt n GLU 27 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.18 2jkt n GLU 27 Cb 0.78 -0.43 -0.04 0.00 0.00 0.00 0.00 31.44 31.75 2jkt n GLU 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jkt h ALA 28 N 0.00 0.38 -0.66 4.31 0.00 -1.94 -1.44 119.26 119.91 2jkt h ALA 28 Ca 0.00 -0.64 0.14 0.00 0.00 0.00 0.00 54.91 54.41 2jkt h ALA 28 Cb 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.67 2jkt h ALA 28 CO 0.00 0.73 0.07 1.49 0.00 0.00 0.00 179.25 181.54 2jkt h GLU 29 N 0.38 0.17 0.00 0.00 4.81 -1.83 0.98 114.58 119.10 2jkt h GLU 29 Ca -0.06 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 2jkt h GLU 29 Cb 1.45 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 2jkt h GLU 29 CO 0.16 0.12 -0.39 0.82 -0.73 0.00 0.00 179.01 178.98 2jkt h ILE 30 N 0.18 1.10 0.01 2.32 2.04 -1.71 -2.91 117.51 118.54 2jkt h ILE 30 Ca 0.36 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 2jkt h ILE 30 Cb 0.59 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2jkt h ILE 30 CO -0.52 0.38 -0.14 0.50 0.00 0.00 0.00 178.15 178.38 2jkt h LYS 31 N 0.00 0.07 0.00 2.37 3.64 -0.11 -3.27 116.57 119.26 2jkt h LYS 31 Ca -0.00 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2jkt h LYS 31 Cb 0.78 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2jkt h LYS 31 CO 0.05 0.95 -0.03 -0.09 -2.27 0.00 0.00 179.45 178.06 2jkt h ARG 32 N -0.78 0.00 0.47 1.90 1.12 -0.88 -2.27 114.38 113.93 2jkt h ARG 32 Ca -0.02 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 2jkt h ARG 32 Cb 1.01 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.98 2jkt h ARG 32 CO 0.03 0.03 -0.22 0.82 -3.11 0.00 0.00 179.97 177.52 2jkt h ILE 33 N 0.00 0.46 -0.00 1.20 5.03 -1.60 -2.47 117.51 120.14 2jkt h ILE 33 Ca -0.00 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 64.35 2jkt h ILE 33 Cb 0.10 0.62 -0.00 0.00 -3.03 0.00 0.00 36.82 34.52 2jkt h ILE 33 CO 0.00 0.06 0.10 0.78 -0.68 0.00 0.00 178.15 178.42 2jkt h ASN 34 N -0.88 0.00 0.39 1.72 2.35 -1.47 0.34 115.58 118.03 2jkt h ASN 34 Ca -0.06 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.37 2jkt h ASN 34 Cb 0.58 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2jkt h ASN 34 CO 0.10 0.00 -1.61 0.11 -1.65 0.00 0.00 177.43 174.39 2jkt h LYS 35 N 0.00 0.26 0.23 0.81 1.57 -1.38 -1.83 116.57 116.23 2jkt h LYS 35 Ca 0.00 -0.44 -0.33 0.00 -1.87 0.00 0.00 60.65 58.01 2jkt h LYS 35 Cb 0.21 0.16 0.03 0.00 0.08 0.00 0.00 32.23 32.71 2jkt h LYS 35 CO -0.00 1.12 -1.50 1.49 -0.57 0.00 0.00 179.45 179.99 2jkt h GLU 36 N 0.07 0.48 -0.15 3.15 4.57 -0.82 -2.64 114.58 119.23 2jkt h GLU 36 Ca -0.27 -0.82 -0.01 0.00 -1.18 0.00 0.00 59.36 57.08 2jkt h GLU 36 Cb 2.03 0.31 -0.01 0.00 -0.16 0.00 0.00 28.75 30.92 2jkt h GLU 36 CO 0.15 1.39 0.06 -0.07 -1.18 0.00 0.00 179.01 179.36 2jkt h LEU 37 N 0.13 0.19 -0.08 1.64 3.38 -0.48 0.54 115.31 120.63 2jkt h LEU 37 Ca -0.26 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.48 2jkt h LEU 37 Cb 2.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 2jkt h LEU 37 CO 0.25 0.18 -1.01 0.00 0.09 0.00 0.00 178.44 177.95 2jkt h ALA 38 N 1.85 0.36 0.01 1.53 0.00 -1.39 -2.94 119.26 118.67 2jkt h ALA 38 Ca 0.06 -0.83 -0.18 0.00 0.00 0.00 0.00 54.91 53.95 2jkt h ALA 38 Cb 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jkt h ALA 38 CO -0.01 1.06 -0.70 -0.97 0.00 0.00 0.00 179.25 178.63 2jkt h ASN 39 N 0.05 0.60 0.37 0.00 -1.24 -0.80 -3.33 115.58 111.22 2jkt h ASN 39 Ca -0.05 -0.77 -0.02 0.00 0.71 0.00 0.00 56.30 56.17 2jkt h ASN 39 Cb 1.72 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.59 2jkt h ASN 39 CO 0.15 1.29 -0.18 0.40 -1.29 0.00 0.00 177.43 177.81 2jkt h ILE 40 N -0.03 0.64 -4.12 2.57 2.04 -0.11 -3.34 117.51 115.16 2jkt h ILE 40 Ca -0.09 -0.04 -0.54 0.00 1.00 0.00 0.00 64.86 65.19 2jkt h ILE 40 Cb 1.41 0.67 0.14 0.00 -0.74 0.00 0.00 36.82 38.30 2jkt h ILE 40 CO 0.14 0.01 0.47 -0.60 0.00 0.00 0.00 178.15 178.16 2jkt s ARG 41 N -6.02 2.66 -0.46 2.37 3.52 -1.11 -1.78 118.95 118.13 2jkt s ARG 41 Ca -0.15 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 2jkt s ARG 41 Cb 0.04 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.55 2jkt s ARG 41 CO 0.63 -1.46 0.00 -1.13 -0.81 0.00 0.00 175.30 172.53 2jkt n SER 42 N -1.96 -2.95 0.00 -2.12 3.41 -1.26 -4.73 113.62 104.02 2jkt n SER 42 Ca 0.14 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2jkt n SER 42 Cb 0.49 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2jkt n SER 42 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jkt n LYS 43 N -2.26 0.00 -0.04 4.33 4.76 -0.74 -4.64 118.16 119.58 2jkt n LYS 43 Ca -0.05 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.26 2jkt n LYS 43 Cb 0.32 -0.37 -0.07 0.00 -1.84 0.00 0.00 35.03 33.07 2jkt n LYS 43 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2jkt h PHE 44 N 0.00 0.24 0.00 2.13 0.04 -1.82 -3.32 116.94 114.20 2jkt h PHE 44 Ca 0.00 -0.05 -0.16 0.00 2.80 0.00 0.00 57.97 60.56 2jkt h PHE 44 Cb 0.11 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.14 2jkt h PHE 44 CO 0.00 0.54 -0.24 1.17 -0.60 0.00 0.00 178.31 179.18 2jkt n LYS 45 N -4.74 1.65 -4.29 1.51 4.81 -1.26 -4.80 118.16 111.04 2jkt n LYS 45 Ca -0.06 -0.82 -0.19 0.00 -0.87 0.00 0.00 58.31 56.37 2jkt n LYS 45 Cb 0.25 -1.90 -0.09 0.00 0.02 0.00 0.00 35.03 33.32 2jkt n LYS 45 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2jkt s GLY 46 N 2.16 2.19 0.00 3.14 0.00 -1.25 -4.35 107.32 109.21 2jkt s GLY 46 Ca 0.55 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.34 2jkt s GLY 46 CO 0.00 -1.50 0.80 2.09 0.00 0.00 0.00 173.10 174.49 2jkt n ASP 47 N -1.27 0.00 -4.66 1.64 5.75 -1.26 -4.58 116.55 112.16 2jkt n ASP 47 Ca 0.05 0.80 -0.43 0.00 -0.01 0.00 0.00 54.79 55.20 2jkt n ASP 47 Cb 0.63 -0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 2jkt n ASP 47 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2jkt s LYS 48 N -2.18 4.21 0.55 0.11 1.02 -1.26 -5.01 119.74 117.16 2jkt s LYS 48 Ca 0.00 1.50 -0.21 0.00 0.02 0.00 0.00 55.97 57.29 2jkt s LYS 48 Cb 0.00 -3.73 -0.06 0.00 -0.52 0.00 0.00 37.83 33.52 2jkt s LYS 48 CO 0.00 -0.72 1.06 0.00 -0.92 0.00 0.00 175.35 174.77 2jkt n ALA 49 N 6.61 0.51 -1.94 5.17 0.00 -1.26 -4.93 120.51 124.66 2jkt n ALA 49 Ca 0.13 0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 2jkt n ALA 49 Cb 0.45 -2.16 0.12 0.00 0.00 0.00 0.00 19.45 17.86 2jkt n ALA 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jkt s LEU 50 N -1.99 2.79 0.99 0.00 1.02 -1.26 -5.09 118.68 115.13 2jkt s LEU 50 Ca 0.72 0.25 -0.16 0.00 0.02 0.00 0.00 54.13 54.95 2jkt s LEU 50 Cb -0.45 -2.62 0.23 0.00 0.02 0.00 0.00 46.19 43.37 2jkt s LEU 50 CO 0.50 -2.06 1.35 1.51 0.02 0.00 0.00 176.35 177.67 2jkt s ASP 51 N -4.69 2.82 0.15 2.29 -4.77 -1.26 -4.82 116.67 106.39 2jkt s ASP 51 Ca 0.66 0.12 -0.17 0.00 -3.30 0.00 0.00 52.55 49.87 2jkt s ASP 51 Cb -0.07 -0.06 0.05 0.00 -1.09 0.00 0.00 42.92 41.75 2jkt s ASP 51 CO 0.48 -2.91 1.74 1.23 0.70 0.00 0.00 175.17 176.41 2jkt h GLY 52 N -1.75 0.41 0.67 2.12 0.00 -1.99 -1.92 103.07 100.60 2jkt h GLY 52 Ca -0.44 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 46.86 2jkt h GLY 52 CO 0.31 0.01 -0.17 -1.82 0.00 0.00 0.00 176.54 174.87 2jkt h TYR 53 N 0.23 -0.43 -0.22 5.60 3.20 -1.99 0.47 116.97 123.82 2jkt h TYR 53 Ca 0.16 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 2jkt h TYR 53 Cb 0.15 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2jkt h TYR 53 CO -0.16 -0.25 -0.23 0.77 -1.64 0.00 0.00 178.16 176.65 2jkt h SER 54 N -0.31 0.40 0.77 -2.11 0.02 -1.93 -1.38 113.55 109.02 2jkt h SER 54 Ca 0.03 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 2jkt h SER 54 Cb 0.34 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2jkt h SER 54 CO -0.12 0.65 -0.37 0.11 -1.14 0.00 0.00 176.83 175.96 2jkt h LYS 55 N 0.37 -1.00 -0.94 3.45 1.57 -1.09 -1.26 116.57 117.67 2jkt h LYS 55 Ca 0.06 0.07 0.21 0.00 -1.87 0.00 0.00 60.65 59.12 2jkt h LYS 55 Cb 0.61 0.23 -0.18 0.00 0.08 0.00 0.00 32.23 32.98 2jkt h LYS 55 CO 0.04 -0.67 -0.14 1.17 -0.57 0.00 0.00 179.45 179.29 2jkt n LYS 56 N -5.33 -0.08 -0.07 3.15 4.81 0.13 -0.84 118.16 119.94 2jkt n LYS 56 Ca -0.13 1.44 -0.15 0.00 -0.87 0.00 0.00 58.31 58.60 2jkt n LYS 56 Cb 0.41 -2.20 -0.05 0.00 0.02 0.00 0.00 35.03 33.21 2jkt n LYS 56 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2jkt h LYS 57 N 0.00 0.79 0.00 1.64 3.64 -1.18 -2.20 116.57 119.25 2jkt h LYS 57 Ca 0.49 -0.52 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 2jkt h LYS 57 Cb 0.86 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 2jkt h LYS 57 CO -0.93 1.15 -0.58 1.88 -2.27 0.00 0.00 179.45 178.69 2jkt h TYR 58 N 0.53 0.00 0.52 1.91 -1.99 -0.06 -2.39 116.97 115.50 2jkt h TYR 58 Ca 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 2jkt h TYR 58 Cb 1.14 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.88 2jkt h TYR 58 CO 0.08 0.58 -0.25 0.28 -0.00 0.00 0.00 178.16 178.85 2jkt h VAL 59 N 0.00 0.44 -0.97 -2.88 2.07 -0.97 -2.72 116.25 111.21 2jkt h VAL 59 Ca -0.01 -0.25 0.22 0.00 0.82 0.00 0.00 66.70 67.49 2jkt h VAL 59 Cb 1.21 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 2jkt h VAL 59 CO 0.08 0.04 0.63 0.00 0.02 0.00 0.00 177.57 178.33 2jkt h LYS 61 N 0.45 0.74 0.22 0.00 1.57 -1.38 -2.25 116.57 115.92 2jkt h LYS 61 Ca 0.53 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2jkt h LYS 61 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2jkt h LYS 61 CO -0.24 0.99 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.45 2jkt h LEU 62 N 0.61 -0.25 -1.22 2.94 3.38 -0.67 -2.12 115.31 117.97 2jkt h LEU 62 Ca 0.06 -0.06 0.26 0.00 0.09 0.00 0.00 57.88 58.23 2jkt h LEU 62 Cb 0.91 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 2jkt h LEU 62 CO 0.08 -0.10 0.65 0.25 0.09 0.00 0.00 178.44 179.41 2jkt h LEU 63 N -0.39 0.53 -0.07 1.67 5.85 -0.98 0.11 115.31 122.03 2jkt h LEU 63 Ca -0.03 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 2jkt h LEU 63 Cb 0.30 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2jkt h LEU 63 CO 0.05 0.08 -0.34 0.15 -0.34 0.00 0.00 178.44 178.04 2jkt h PHE 64 N 0.46 0.47 -0.76 1.25 3.57 -1.31 -2.24 116.94 118.39 2jkt h PHE 64 Ca 0.62 -0.21 0.06 0.00 3.53 0.00 0.00 57.97 61.97 2jkt h PHE 64 Cb 1.43 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 2jkt h PHE 64 CO -0.00 0.95 0.50 0.82 -2.23 0.00 0.00 178.31 178.35 2jkt h ILE 65 N -0.14 1.05 0.35 1.41 2.04 -0.19 -1.88 117.51 120.15 2jkt h ILE 65 Ca -0.02 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2jkt h ILE 65 Cb 1.00 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2jkt h ILE 65 CO 0.07 0.15 -0.17 0.15 0.00 0.00 0.00 178.15 178.35 2jkt h PHE 66 N 0.84 -0.45 0.00 1.37 3.04 -0.94 -2.48 116.94 118.32 2jkt h PHE 66 Ca 0.32 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.26 2jkt h PHE 66 Cb 0.19 0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.86 2jkt h PHE 66 CO -0.00 -0.28 0.00 1.28 -2.02 0.00 0.00 178.31 177.29 2jkt n LEU 67 N -5.30 0.11 -0.10 0.59 4.77 -0.74 -1.56 117.00 114.77 2jkt n LEU 67 Ca -0.10 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.69 2jkt n LEU 67 Cb 0.21 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2jkt n LEU 67 CO 0.35 0.03 -1.15 0.18 -1.33 0.00 0.00 177.39 175.47 2jkt n LEU 68 N -0.19 2.89 0.00 2.23 4.77 -0.94 -5.02 117.00 120.75 2jkt n LEU 68 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2jkt n LEU 68 Cb 0.03 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 2jkt n LEU 68 CO 0.00 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2jkt n GLY 69 N 2.53 0.60 3.81 -0.72 0.00 -0.60 -5.14 105.19 105.68 2jkt n GLY 69 Ca -0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 2jkt n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jkt s HIS 70 N 0.00 3.27 0.61 1.61 5.04 -1.19 -5.04 115.29 119.59 2jkt s HIS 70 Ca 0.00 1.61 -0.02 0.00 -1.54 0.00 0.00 55.06 55.11 2jkt s HIS 70 Cb 0.00 -2.89 0.04 0.00 0.04 0.00 0.00 32.58 29.77 2jkt s HIS 70 CO 0.00 -0.23 0.86 -0.51 -2.34 0.00 0.00 174.74 172.52 2jkt s ASP 71 N -2.12 5.11 -0.11 9.88 1.01 -1.26 -4.09 116.67 125.09 2jkt s ASP 71 Ca 0.63 0.16 -0.04 0.00 0.71 0.00 0.00 52.55 54.01 2jkt s ASP 71 Cb -0.11 -0.95 0.05 0.00 1.01 0.00 0.00 42.92 42.92 2jkt s ASP 71 CO 0.15 -1.31 0.09 -0.63 0.21 0.00 0.00 175.17 173.68 2jkt s ILE 72 N -2.94 -0.12 -0.33 0.77 -1.09 -1.26 -4.91 121.20 111.31 2jkt s ILE 72 Ca 0.58 0.14 0.12 0.00 -2.23 0.00 0.00 60.65 59.27 2jkt s ILE 72 Cb -0.10 -0.37 0.74 0.00 -1.58 0.00 0.00 42.46 41.14 2jkt s ILE 72 CO 0.41 -0.04 1.62 -0.90 -1.23 0.00 0.00 174.94 174.79 2jkt n ASP 73 N 5.29 5.24 -3.66 3.58 3.85 -1.26 -4.98 116.55 124.63 2jkt n ASP 73 Ca -0.05 -2.83 -0.01 0.00 -0.71 0.00 0.00 54.79 51.19 2jkt n ASP 73 Cb 0.50 -0.67 -0.00 0.00 -1.35 0.00 0.00 41.12 39.59 2jkt n ASP 73 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 2jkt s PHE 74 N -2.57 -0.06 0.00 2.11 -0.12 -1.26 -5.00 117.98 111.07 2jkt s PHE 74 Ca 0.49 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.22 2jkt s PHE 74 Cb 0.37 0.60 0.00 0.00 -0.63 0.00 0.00 43.02 43.36 2jkt s PHE 74 CO 0.14 -0.55 0.00 0.41 -0.05 0.00 0.00 175.22 175.17 2jkt n GLY 75 N -0.53 3.05 0.49 1.99 0.00 -1.26 -4.93 105.19 104.00 2jkt n GLY 75 Ca -0.06 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.27 2jkt n GLY 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2jkt h HIS 76 N 0.00 0.00 -0.20 1.61 3.86 -1.96 0.22 115.15 118.68 2jkt h HIS 76 Ca 0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 2jkt h HIS 76 Cb 0.00 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.48 2jkt h HIS 76 CO 0.00 0.00 -0.61 1.98 0.86 0.00 0.00 177.93 180.16 2jkt h MET 77 N 0.00 0.77 -0.06 2.45 -1.53 -2.00 -2.56 114.93 112.00 2jkt h MET 77 Ca 0.47 -0.56 -0.03 0.00 -3.44 0.00 0.00 59.70 56.14 2jkt h MET 77 Cb 1.90 0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 33.03 2jkt h MET 77 CO -0.00 1.18 -0.11 0.93 0.14 0.00 0.00 176.91 179.05 2jkt h GLU 78 N 0.50 0.09 -0.19 0.39 3.07 -1.39 -2.09 114.58 114.97 2jkt h GLU 78 Ca -0.02 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.63 2jkt h GLU 78 Cb 1.23 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2jkt h GLU 78 CO 0.13 0.21 -0.65 0.00 -1.40 0.00 0.00 179.01 177.30 2jkt h ALA 79 N 1.80 0.49 0.00 3.43 0.00 -1.25 -3.00 119.26 120.73 2jkt h ALA 79 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jkt h ALA 79 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jkt h ALA 79 CO 0.02 0.70 0.00 0.28 0.00 0.00 0.00 179.25 180.24 2jkt h VAL 80 N 0.52 0.00 0.14 0.00 2.07 -0.98 -2.17 116.25 115.83 2jkt h VAL 80 Ca -0.01 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2jkt h VAL 80 Cb 1.25 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2jkt h VAL 80 CO 0.13 0.00 -0.07 0.78 0.02 0.00 0.00 177.57 178.43 2jkt h ASN 81 N 0.00 -0.16 -0.53 0.57 4.21 -1.29 -3.09 115.58 115.28 2jkt h ASN 81 Ca 0.00 -0.17 0.14 0.00 1.21 0.00 0.00 56.30 57.49 2jkt h ASN 81 Cb 0.55 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.77 2jkt h ASN 81 CO 0.00 0.08 0.38 -0.07 -1.29 0.00 0.00 177.43 176.52 2jkt h LEU 82 N -0.39 0.05 -1.11 1.61 3.38 -1.32 -2.11 115.31 115.42 2jkt h LEU 82 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jkt h LEU 82 Cb 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jkt h LEU 82 CO 0.03 0.03 0.00 0.18 0.09 0.00 0.00 178.44 178.77 2jkt n LEU 83 N -4.40 0.54 -0.06 1.67 4.77 -1.09 -2.13 117.00 116.31 2jkt n LEU 83 Ca 0.10 0.71 -0.02 0.00 -0.03 0.00 0.00 56.01 56.77 2jkt n LEU 83 Cb 0.57 -0.73 -0.15 0.00 -2.33 0.00 0.00 43.42 40.77 2jkt n LEU 83 CO 0.36 -0.80 -0.98 -1.20 -1.33 0.00 0.00 177.39 173.44 2jkt n SER 84 N -2.19 0.32 -4.09 -1.43 7.64 -0.79 -4.92 113.62 108.17 2jkt n SER 84 Ca -0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.51 2jkt n SER 84 Cb 0.09 1.32 0.06 0.00 -1.01 0.00 0.00 64.21 64.67 2jkt n SER 84 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jkt n SER 85 N -2.52 -3.97 -0.45 6.43 2.88 -0.90 -4.90 113.62 110.18 2jkt n SER 85 Ca -0.21 0.09 0.12 0.00 -1.33 0.00 0.00 58.87 57.54 2jkt n SER 85 Cb 0.90 -0.74 0.20 0.00 -0.75 0.00 0.00 64.21 63.82 2jkt n SER 85 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jkt n ASN 86 N 2.24 1.70 -4.72 -3.46 3.02 -1.26 -4.83 115.26 107.95 2jkt n ASN 86 Ca -0.01 -1.33 -0.37 0.00 -0.03 0.00 0.00 54.58 52.84 2jkt n ASN 86 Cb 0.64 0.26 -0.07 0.00 -0.61 0.00 0.00 39.78 40.00 2jkt n ASN 86 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jkt s ARG 87 N -2.39 4.28 0.16 3.52 0.52 -1.26 -4.99 118.95 118.78 2jkt s ARG 87 Ca 0.23 0.24 -0.22 0.00 -0.52 0.00 0.00 55.73 55.47 2jkt s ARG 87 Cb 0.19 -3.45 0.04 0.00 0.52 0.00 0.00 34.95 32.26 2jkt s ARG 87 CO 0.50 0.17 1.62 -0.92 0.02 0.00 0.00 175.30 176.69 2jkt h TYR 88 N 6.80 -0.72 0.00 -0.53 3.20 -1.99 -1.50 116.97 122.23 2jkt h TYR 88 Ca -0.40 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.50 2jkt h TYR 88 Cb 1.17 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.80 2jkt h TYR 88 CO 0.62 -0.34 -0.07 1.79 -1.64 0.00 0.00 178.16 178.51 2jkt h THR 89 N -0.25 0.43 0.20 1.81 1.35 -1.99 0.16 112.91 114.63 2jkt h THR 89 Ca 0.15 -0.37 -0.33 0.00 -0.55 0.00 0.00 66.41 65.31 2jkt h THR 89 Cb 0.49 1.26 0.02 0.00 -1.73 0.00 0.00 68.15 68.18 2jkt h THR 89 CO -0.44 0.07 -1.60 -0.33 -0.25 0.00 0.00 175.52 172.97 2jkt h GLU 90 N 0.00 0.43 -0.65 4.72 5.08 -1.66 -3.08 114.58 119.42 2jkt h GLU 90 Ca -0.00 -0.73 -0.05 0.00 -1.00 0.00 0.00 59.36 57.58 2jkt h GLU 90 Cb 0.25 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2jkt h GLU 90 CO 0.01 1.35 0.22 0.87 -1.00 0.00 0.00 179.01 180.46 2jkt h LYS 91 N 0.06 0.98 0.10 2.33 1.57 -0.60 -2.35 116.57 118.66 2jkt h LYS 91 Ca -0.31 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.30 2jkt h LYS 91 Cb 2.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 34.21 2jkt h LYS 91 CO 0.20 0.83 -0.16 0.37 -0.57 0.00 0.00 179.45 180.12 2jkt h GLN 92 N 0.95 -0.30 -0.39 3.15 4.15 -0.77 -1.33 115.11 120.57 2jkt h GLN 92 Ca 0.21 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.58 2jkt h GLN 92 Cb 0.25 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2jkt h GLN 92 CO -0.01 -0.20 -0.08 0.82 -1.93 0.00 0.00 178.83 177.43 2jkt h ILE 93 N -0.31 1.24 0.04 2.39 2.04 -1.47 -0.24 117.51 121.19 2jkt h ILE 93 Ca 0.02 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2jkt h ILE 93 Cb 0.33 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2jkt h ILE 93 CO -0.09 0.36 -0.02 1.23 0.00 0.00 0.00 178.15 179.63 2jkt h GLY 94 N 0.95 -0.05 0.91 5.37 0.00 -1.12 -1.10 103.07 108.03 2jkt h GLY 94 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2jkt h GLY 94 CO 0.03 -0.02 0.11 -0.97 0.00 0.00 0.00 176.54 175.69 2jkt h TYR 95 N -0.12 0.49 -0.74 5.60 0.99 -1.09 -2.24 116.97 119.86 2jkt h TYR 95 Ca -0.01 -0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.73 2jkt h TYR 95 Cb 0.11 -0.14 -0.05 0.00 1.00 0.00 0.00 36.73 37.64 2jkt h TYR 95 CO -0.05 0.49 0.45 1.25 -0.00 0.00 0.00 178.16 180.30 2jkt h LEU 96 N 0.35 0.70 -0.76 3.88 5.85 -0.97 0.37 115.31 124.73 2jkt h LEU 96 Ca 0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2jkt h LEU 96 Cb 0.23 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2jkt h LEU 96 CO -0.00 0.46 0.40 0.15 -0.34 0.00 0.00 178.44 179.11 2jkt h PHE 97 N 0.83 1.05 0.00 1.25 3.57 -0.95 -1.49 116.94 121.20 2jkt h PHE 97 Ca 0.32 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2jkt h PHE 97 Cb 0.13 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.54 2jkt h PHE 97 CO -0.05 0.74 -0.53 0.44 -2.23 0.00 0.00 178.31 176.68 2jkt n ILE 98 N -4.44 0.21 0.10 1.41 -5.35 -0.86 -2.04 119.36 108.39 2jkt n ILE 98 Ca 0.07 -0.16 -0.18 0.00 -0.27 0.00 0.00 62.75 62.21 2jkt n ILE 98 Cb 0.10 -0.02 -0.12 0.00 -1.74 0.00 0.00 39.64 37.86 2jkt n ILE 98 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2jkt h SER 99 N 0.00 0.59 0.00 7.28 0.02 -0.02 -3.39 113.55 118.03 2jkt h SER 99 Ca 0.00 -0.58 -0.06 0.00 -0.84 0.00 0.00 61.79 60.31 2jkt h SER 99 Cb 0.64 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2jkt h SER 99 CO 0.00 1.43 -0.33 0.58 -1.14 0.00 0.00 176.83 177.36 2jkt h VAL 100 N 0.15 1.28 -3.33 2.27 2.07 -1.29 -3.43 116.25 113.98 2jkt h VAL 100 Ca -0.15 -2.08 -0.73 0.00 0.82 0.00 0.00 66.70 64.56 2jkt h VAL 100 Cb 1.91 2.53 -0.25 0.00 -1.52 0.00 0.00 31.29 33.96 2jkt h VAL 100 CO 0.21 0.43 -0.37 -0.76 0.02 0.00 0.00 177.57 177.11 2jkt s LEU 101 N -8.18 5.54 0.55 2.57 1.02 -0.86 -5.08 118.68 114.24 2jkt s LEU 101 Ca -0.19 -1.50 0.07 0.00 0.02 0.00 0.00 54.13 52.53 2jkt s LEU 101 Cb -0.00 -2.10 0.06 0.00 0.02 0.00 0.00 46.19 44.16 2jkt s LEU 101 CO 0.56 -0.64 0.56 -0.69 0.02 0.00 0.00 176.35 176.16 2jkt s VAL 102 N 1.53 1.89 0.26 -1.59 1.01 -1.26 -4.49 120.40 117.75 2jkt s VAL 102 Ca 0.04 -1.29 -0.19 0.00 0.00 0.00 0.00 61.98 60.54 2jkt s VAL 102 Cb -0.25 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 33.97 2jkt s VAL 102 CO 0.04 0.00 0.64 0.54 0.00 0.00 0.00 175.10 176.32 2jkt s ASN 103 N -4.43 -0.23 0.00 3.32 6.03 -1.26 -5.03 114.94 113.34 2jkt s ASN 103 Ca 0.46 -0.66 0.29 0.00 -1.03 0.00 0.00 52.86 51.92 2jkt s ASN 103 Cb -0.04 0.67 1.19 0.00 -3.03 0.00 0.00 41.25 40.05 2jkt s ASN 103 CO 0.29 -1.26 1.83 -1.20 -2.03 0.00 0.00 177.10 174.73 2jkt n SER 104 N -0.43 0.71 -4.55 3.54 7.64 -1.26 -4.89 113.62 114.38 2jkt n SER 104 Ca -0.04 -0.86 -0.29 0.00 1.01 0.00 0.00 58.87 58.69 2jkt n SER 104 Cb 0.60 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 2jkt n SER 104 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2jkt s ASN 105 N -2.33 4.35 0.61 6.43 3.04 -1.26 -4.80 114.94 120.98 2jkt s ASN 105 Ca 0.32 0.67 0.26 0.00 0.04 0.00 0.00 52.86 54.16 2jkt s ASN 105 Cb 0.20 -2.52 1.09 0.00 -1.54 0.00 0.00 41.25 38.49 2jkt s ASN 105 CO 0.44 -3.14 1.51 0.77 -3.04 0.00 0.00 177.10 173.64 2jkt h SER 106 N 17.03 0.00 0.06 -4.21 4.64 -1.99 -1.86 113.55 127.21 2jkt h SER 106 Ca -0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2jkt h SER 106 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2jkt h SER 106 CO 1.12 0.00 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.97 2jkt h GLU 107 N 0.00 -0.08 -0.88 4.77 4.57 -2.00 -3.28 114.58 117.68 2jkt h GLU 107 Ca 0.36 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.73 2jkt h GLU 107 Cb 2.23 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 30.73 2jkt h GLU 107 CO -0.00 -0.05 0.43 -0.07 -1.18 0.00 0.00 179.01 178.14 2jkt h LEU 108 N -0.57 0.46 -1.55 1.64 3.38 -1.78 0.17 115.31 117.07 2jkt h LEU 108 Ca -0.01 0.12 0.26 0.00 0.09 0.00 0.00 57.88 58.35 2jkt h LEU 108 Cb 0.06 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 2jkt h LEU 108 CO 0.01 0.12 0.68 0.40 0.09 0.00 0.00 178.44 179.74 2jkt h ILE 109 N 0.53 0.54 0.00 1.22 5.03 -1.50 0.17 117.51 123.50 2jkt h ILE 109 Ca 0.52 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 65.16 2jkt h ILE 109 Cb 0.87 0.22 0.00 0.00 -3.03 0.00 0.00 36.82 34.88 2jkt h ILE 109 CO -0.44 0.05 -1.10 -1.14 -0.68 0.00 0.00 178.15 174.84 2jkt n ARG 110 N -4.50 0.08 -0.02 2.37 0.63 0.46 -2.65 116.66 113.03 2jkt n ARG 110 Ca 0.23 -0.02 -0.16 0.00 -0.92 0.00 0.00 57.85 56.98 2jkt n ARG 110 Cb 0.90 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 32.21 2jkt n ARG 110 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2jkt h LEU 111 N 0.00 0.39 -0.17 6.15 3.38 0.47 -3.01 115.31 122.51 2jkt h LEU 111 Ca 0.00 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 2jkt h LEU 111 Cb 0.56 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2jkt h LEU 111 CO 0.00 1.03 0.02 0.40 0.09 0.00 0.00 178.44 179.97 2jkt h ILE 112 N -0.22 1.24 -0.15 1.22 2.04 -1.00 -1.22 117.51 119.42 2jkt h ILE 112 Ca -0.03 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.09 2jkt h ILE 112 Cb 1.04 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2jkt h ILE 112 CO 0.07 0.24 0.39 0.78 0.00 0.00 0.00 178.15 179.63 2jkt h ASN 113 N 0.07 0.00 0.00 1.72 2.35 -1.60 0.37 115.58 118.49 2jkt h ASN 113 Ca 0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2jkt h ASN 113 Cb 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2jkt h ASN 113 CO 0.01 0.00 -0.32 -1.13 -1.65 0.00 0.00 177.43 174.33 2jkt h ASN 114 N 0.00 0.00 -0.36 5.81 -1.24 -1.10 -1.66 115.58 117.03 2jkt h ASN 114 Ca 0.07 -0.57 0.08 0.00 0.71 0.00 0.00 56.30 56.59 2jkt h ASN 114 Cb 0.86 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.83 2jkt h ASN 114 CO -0.00 0.97 -0.18 0.00 -1.29 0.00 0.00 177.43 176.93 2jkt h ALA 115 N -0.43 0.10 -0.88 1.57 0.00 -0.88 0.10 119.26 118.84 2jkt h ALA 115 Ca -0.08 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2jkt h ALA 115 Cb 0.80 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 2jkt h ALA 115 CO -0.05 -0.55 0.49 0.82 0.00 0.00 0.00 179.25 179.96 2jkt h ILE 116 N -0.12 0.79 -0.48 0.00 2.04 -1.06 -0.51 117.51 118.17 2jkt h ILE 116 Ca 0.18 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2jkt h ILE 116 Cb 0.40 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 2jkt h ILE 116 CO -0.44 0.13 0.26 0.50 0.00 0.00 0.00 178.15 178.60 2jkt h LYS 117 N 0.72 0.49 0.25 2.37 3.64 -0.10 -2.28 116.57 121.66 2jkt h LYS 117 Ca 0.46 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 2jkt h LYS 117 Cb 0.59 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2jkt h LYS 117 CO -0.32 0.33 -0.12 -0.91 -2.27 0.00 0.00 179.45 176.15 2jkt h ASN 118 N 0.51 -0.28 -0.32 4.20 4.21 0.51 -2.64 115.58 121.76 2jkt h ASN 118 Ca 0.20 -0.18 0.05 0.00 1.21 0.00 0.00 56.30 57.58 2jkt h ASN 118 Cb 0.08 0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 37.31 2jkt h ASN 118 CO -0.12 0.03 0.06 0.44 -1.29 0.00 0.00 177.43 176.55 2jkt h ASP 119 N -0.61 0.01 -0.72 5.81 3.32 -1.30 0.59 116.42 123.53 2jkt h ASP 119 Ca -0.03 0.05 0.20 0.00 0.02 0.00 0.00 57.03 57.27 2jkt h ASP 119 Cb 0.44 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 2jkt h ASP 119 CO 0.06 0.04 0.51 -0.07 -1.72 0.00 0.00 179.24 178.06 2jkt h LEU 120 N 0.18 0.05 0.00 1.55 3.38 -1.41 -1.24 115.31 117.82 2jkt h LEU 120 Ca 0.15 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.87 2jkt h LEU 120 Cb 0.16 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2jkt h LEU 120 CO -0.20 0.02 -1.46 0.00 0.09 0.00 0.00 178.44 176.89 2jkt h ALA 121 N 1.65 0.65 0.00 1.53 0.00 0.22 -3.36 119.26 119.95 2jkt h ALA 121 Ca 0.34 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2jkt h ALA 121 Cb 1.30 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2jkt h ALA 121 CO -0.02 1.43 0.03 -1.13 0.00 0.00 0.00 179.25 179.56 2jkt n SER 122 N -3.13 0.00 -1.57 0.00 3.41 0.16 -4.74 113.62 107.75 2jkt n SER 122 Ca -0.11 0.34 -0.07 0.00 -0.26 0.00 0.00 58.87 58.78 2jkt n SER 122 Cb 1.00 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 2jkt n SER 122 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jkt n ARG 123 N -1.33 -1.57 -3.55 4.33 1.74 -1.26 -4.92 116.66 110.10 2jkt n ARG 123 Ca 0.00 0.38 -0.37 0.00 -0.77 0.00 0.00 57.85 57.09 2jkt n ARG 123 Cb 0.03 -4.63 -0.08 0.00 -1.02 0.00 0.00 32.46 26.76 2jkt n ARG 123 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jkt s ASN 124 N -1.70 6.32 0.18 0.55 3.84 -1.26 -5.02 114.94 117.85 2jkt s ASN 124 Ca 0.00 0.37 -0.06 0.00 0.21 0.00 0.00 52.86 53.37 2jkt s ASN 124 Cb 0.00 -2.16 0.08 0.00 -0.55 0.00 0.00 41.25 38.62 2jkt s ASN 124 CO 0.00 0.05 1.53 -0.65 -2.79 0.00 0.00 177.10 175.24 2jkt h PRO 125 N 7.09 0.77 -0.19 0.43 0.11 -1.94 0.21 132.00 138.48 2jkt h PRO 125 Ca -0.39 -0.40 -0.10 0.00 0.11 0.00 0.00 66.00 65.22 2jkt h PRO 125 Cb 1.16 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2jkt h PRO 125 CO 0.72 1.02 -0.33 1.15 -0.21 0.00 0.00 178.00 180.35 2jkt h THR 126 N 0.63 1.28 0.02 -1.15 2.02 -1.99 -1.01 112.91 112.70 2jkt h THR 126 Ca 0.05 -1.39 -0.13 0.00 0.77 0.00 0.00 66.41 65.71 2jkt h THR 126 Cb 0.94 1.51 0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2jkt h THR 126 CO 0.09 0.43 -0.52 -0.26 0.37 0.00 0.00 175.52 175.62 2jkt h PHE 127 N 0.33 0.50 -0.70 3.16 0.05 -1.88 -2.87 116.94 115.53 2jkt h PHE 127 Ca 0.04 -0.28 0.13 0.00 3.82 0.00 0.00 57.97 61.68 2jkt h PHE 127 Cb 0.75 -0.05 -0.09 0.00 2.00 0.00 0.00 35.95 38.55 2jkt h PHE 127 CO 0.02 1.11 0.25 0.52 -0.18 0.00 0.00 178.31 180.03 2jkt h MET 128 N -0.26 0.39 0.66 1.51 2.86 -0.41 -1.65 114.93 118.03 2jkt h MET 128 Ca -0.07 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2jkt h MET 128 Cb 1.27 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 2jkt h MET 128 CO 0.10 0.26 -0.40 0.78 1.06 0.00 0.00 176.91 178.71 2jkt h GLY 129 N 0.40 -1.08 -0.56 8.32 0.00 -1.26 -1.02 103.07 107.86 2jkt h GLY 129 Ca 0.38 0.44 0.34 0.00 0.00 0.00 0.00 47.33 48.48 2jkt h GLY 129 CO -0.39 -0.38 0.69 1.41 0.00 0.00 0.00 176.54 177.87 2jkt h LEU 130 N -1.00 0.41 0.10 3.11 3.38 -1.12 0.23 115.31 120.44 2jkt h LEU 130 Ca -0.08 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2jkt h LEU 130 Cb 0.80 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2jkt h LEU 130 CO 0.09 -0.07 -0.05 0.00 0.09 0.00 0.00 178.44 178.50 2jkt h ALA 131 N 1.69 -0.14 -0.93 1.53 0.00 -1.11 -2.19 119.26 118.11 2jkt h ALA 131 Ca 0.71 -0.26 0.23 0.00 0.00 0.00 0.00 54.91 55.59 2jkt h ALA 131 Cb 1.88 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.66 2jkt h ALA 131 CO -0.44 -0.21 0.62 -0.07 0.00 0.00 0.00 179.25 179.15 2jkt h LEU 132 N -0.88 0.33 -0.05 0.00 3.38 0.18 0.73 115.31 118.99 2jkt h LEU 132 Ca -0.01 0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.75 2jkt h LEU 132 Cb 0.56 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2jkt h LEU 132 CO 0.02 0.12 -1.06 0.45 0.09 0.00 0.00 178.44 178.06 2jkt h HIS 133 N 0.32 0.68 -0.43 1.13 3.86 -0.64 -1.79 115.15 118.28 2jkt h HIS 133 Ca 0.48 -0.40 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 2jkt h HIS 133 Cb 1.35 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.74 2jkt h HIS 133 CO -0.00 1.25 0.06 0.00 0.86 0.00 0.00 177.93 180.09 2jkt h ILE 135 N 0.58 0.90 0.00 0.00 2.04 -0.96 -1.47 117.51 118.60 2jkt h ILE 135 Ca 0.13 -0.11 -0.12 0.00 1.00 0.00 0.00 64.86 65.76 2jkt h ILE 135 Cb 0.40 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2jkt h ILE 135 CO 0.01 0.06 -0.56 0.00 0.00 0.00 0.00 178.15 177.66 2jkt h ALA 136 N 1.24 0.99 0.00 1.87 0.00 -1.00 0.34 119.26 122.69 2jkt h ALA 136 Ca 0.18 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.37 2jkt h ALA 136 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2jkt h ALA 136 CO -0.17 0.70 -1.04 -0.91 0.00 0.00 0.00 179.25 177.83 2jkt h ASN 137 N 0.00 0.00 0.00 0.00 2.35 -0.79 -3.41 115.58 113.73 2jkt h ASN 137 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2jkt h ASN 137 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2jkt h ASN 137 CO 0.07 0.94 -0.61 0.52 -1.65 0.00 0.00 177.43 176.70 2jkt n VAL 138 N -3.29 1.35 -1.93 2.81 0.31 -0.56 -4.99 118.33 112.03 2jkt n VAL 138 Ca -0.02 0.22 -0.19 0.00 -0.01 0.00 0.00 64.34 64.33 2jkt n VAL 138 Cb 0.93 -2.32 -0.05 0.00 -0.91 0.00 0.00 33.84 31.49 2jkt n VAL 138 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jkt n GLY 139 N 1.58 0.82 3.72 2.92 0.00 0.12 -4.95 105.19 109.40 2jkt n GLY 139 Ca -0.09 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 2jkt n GLY 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jkt n SER 140 N -1.39 2.00 -0.28 1.61 3.41 -1.26 -4.79 113.62 112.93 2jkt n SER 140 Ca -0.21 0.83 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 2jkt n SER 140 Cb 0.65 -1.55 0.36 0.00 -0.26 0.00 0.00 64.21 63.41 2jkt n SER 140 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2jkt h ARG 141 N 0.52 0.72 -0.52 4.33 9.65 -1.95 -1.44 114.38 125.68 2jkt h ARG 141 Ca -0.51 -0.04 0.10 0.00 -1.10 0.00 0.00 59.98 58.43 2jkt h ARG 141 Cb 1.34 -0.16 -0.08 0.00 -1.39 0.00 0.00 29.97 29.67 2jkt h ARG 141 CO 0.53 0.48 0.01 0.93 2.80 0.00 0.00 179.97 184.72 2jkt h GLU 142 N 0.74 0.13 0.03 0.20 3.07 -2.00 -2.31 114.58 114.44 2jkt h GLU 142 Ca 0.45 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.30 2jkt h GLU 142 Cb 0.67 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2jkt h GLU 142 CO -0.21 0.08 -0.01 0.52 -1.40 0.00 0.00 179.01 177.99 2jkt h MET 143 N 0.13 -0.04 -0.84 2.33 2.86 -1.63 -2.77 114.93 114.97 2jkt h MET 143 Ca 0.26 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 58.11 2jkt h MET 143 Cb 0.40 0.01 -0.16 0.00 0.06 0.00 0.00 31.60 31.91 2jkt h MET 143 CO -0.43 0.48 -0.08 0.00 1.06 0.00 0.00 176.91 177.95 2jkt n ALA 144 N -2.40 0.33 -0.23 6.32 0.00 -0.89 0.63 120.51 124.27 2jkt n ALA 144 Ca -0.09 0.91 -0.05 0.00 0.00 0.00 0.00 53.44 54.21 2jkt n ALA 144 Cb 0.27 -0.61 0.10 0.00 0.00 0.00 0.00 19.45 19.21 2jkt n ALA 144 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jkt h GLU 145 N 0.00 1.06 0.00 0.00 5.08 -1.14 0.17 114.58 119.76 2jkt h GLU 145 Ca 0.46 -0.22 -0.22 0.00 -1.00 0.00 0.00 59.36 58.39 2jkt h GLU 145 Cb 0.87 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2jkt h GLU 145 CO -0.82 0.91 -1.13 0.00 -1.00 0.00 0.00 179.01 176.97 2jkt h ALA 146 N 1.21 0.45 0.00 3.43 0.00 0.35 -3.40 119.26 121.29 2jkt h ALA 146 Ca 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2jkt h ALA 146 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jkt h ALA 146 CO -0.01 1.29 0.00 1.19 0.00 0.00 0.00 179.25 181.72 2jkt n PHE 147 N -3.28 0.00 -0.52 0.00 3.01 -0.04 -4.59 117.46 112.05 2jkt n PHE 147 Ca -0.03 0.00 0.42 0.00 1.01 0.00 0.00 57.45 58.85 2jkt n PHE 147 Cb 0.95 0.00 0.73 0.00 -0.01 0.00 0.00 39.48 41.15 2jkt n PHE 147 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jkt h ALA 148 N 0.00 3.21 -0.17 4.37 0.00 -0.80 0.50 119.26 126.37 2jkt h ALA 148 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 2jkt h ALA 148 Cb 0.01 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jkt h ALA 148 CO 0.00 -1.76 -0.63 0.78 0.00 0.00 0.00 179.25 177.64 2jkt h GLY 149 N 0.05 0.67 0.22 0.00 0.00 -1.81 -3.36 103.07 98.84 2jkt h GLY 149 Ca 0.81 -0.84 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 2jkt h GLY 149 CO -0.19 0.76 -1.90 1.18 0.00 0.00 0.00 176.54 176.39 2jkt n GLU 150 N -3.93 0.66 -0.21 4.80 1.02 0.13 -4.21 120.64 118.90 2jkt n GLU 150 Ca -0.04 -0.08 -0.06 0.00 -0.02 0.00 0.00 57.16 56.95 2jkt n GLU 150 Cb 0.66 -1.59 0.04 0.00 -0.02 0.00 0.00 31.44 30.53 2jkt n GLU 150 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jkt h ILE 151 N 0.00 1.16 0.47 -3.67 1.08 -1.62 -1.69 117.51 113.25 2jkt h ILE 151 Ca -0.13 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 64.00 2jkt h ILE 151 Cb 1.31 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 2jkt h ILE 151 CO 0.01 0.16 -0.26 -0.65 -0.69 0.00 0.00 178.15 176.72 2jkt h PRO 152 N 0.81 -0.67 -0.94 2.37 0.11 -1.75 -1.70 132.00 130.23 2jkt h PRO 152 Ca 0.22 0.05 0.37 0.00 0.11 0.00 0.00 66.00 66.74 2jkt h PRO 152 Cb -0.06 0.15 -0.17 0.00 0.11 0.00 0.00 31.00 31.03 2jkt h PRO 152 CO -0.04 -0.44 0.42 1.63 -0.21 0.00 0.00 178.00 179.35 2jkt n LYS 153 N -5.40 -0.06 0.14 1.05 5.02 -0.92 -0.35 118.16 117.63 2jkt n LYS 153 Ca -0.11 1.31 -0.10 0.00 -2.02 0.00 0.00 58.31 57.39 2jkt n LYS 153 Cb 0.30 -2.30 -0.06 0.00 -0.02 0.00 0.00 35.03 32.95 2jkt n LYS 153 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2jkt h ILE 154 N 0.00 0.43 -0.80 -0.18 2.04 -0.95 -3.10 117.51 114.96 2jkt h ILE 154 Ca 0.75 -0.80 0.16 0.00 1.00 0.00 0.00 64.86 65.97 2jkt h ILE 154 Cb 1.93 0.70 -0.15 0.00 -0.74 0.00 0.00 36.82 38.56 2jkt h ILE 154 CO -0.75 0.10 -0.23 0.25 0.00 0.00 0.00 178.15 177.52 2jkt h LEU 155 N -0.99 -0.85 0.00 1.44 5.85 0.23 -1.79 115.31 119.21 2jkt h LEU 155 Ca -0.04 0.25 -0.17 0.00 0.84 0.00 0.00 57.88 58.76 2jkt h LEU 155 Cb 0.49 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2jkt h LEU 155 CO 0.07 -0.27 -0.85 -0.37 -0.34 0.00 0.00 178.44 176.67 2jkt h VAL 156 N -0.02 1.21 -2.56 1.05 -1.51 -1.59 -3.47 116.25 109.36 2jkt h VAL 156 Ca 0.37 -2.75 -0.60 0.00 -1.23 0.00 0.00 66.70 62.49 2jkt h VAL 156 Cb 0.59 2.58 0.13 0.00 -2.13 0.00 0.00 31.29 32.47 2jkt h VAL 156 CO -0.83 0.69 -0.13 0.00 -1.23 0.00 0.00 177.57 176.06 2jkt n ALA 157 N -2.31 -0.79 0.01 5.19 0.00 -0.67 -4.88 120.51 117.06 2jkt n ALA 157 Ca -0.01 0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.56 2jkt n ALA 157 Cb 0.85 -1.91 0.05 0.00 0.00 0.00 0.00 19.45 18.44 2jkt n ALA 157 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jkt h GLY 158 N 1.21 0.59 1.31 0.00 0.00 -1.90 -3.26 103.07 101.02 2jkt h GLY 158 Ca -0.41 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.22 2jkt h GLY 158 CO 0.55 0.63 -0.13 2.09 0.00 0.00 0.00 176.54 179.67 2jkt n ASP 159 N -3.94 0.29 -4.76 0.19 5.75 -1.26 -4.89 116.55 107.92 2jkt n ASP 159 Ca -0.03 -0.16 -0.41 0.00 -0.01 0.00 0.00 54.79 54.17 2jkt n ASP 159 Cb 0.62 -0.16 -0.01 0.00 -1.03 0.00 0.00 41.12 40.54 2jkt n ASP 159 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2jkt s THR 160 N -2.73 2.24 0.63 2.12 2.01 -1.23 -4.95 115.64 113.73 2jkt s THR 160 Ca 0.22 0.22 -0.19 0.00 0.31 0.00 0.00 61.69 62.25 2jkt s THR 160 Cb 0.19 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 2jkt s THR 160 CO 0.53 0.04 1.28 0.23 -0.69 0.00 0.00 174.62 176.01 2jkt n MET 161 N 1.42 1.20 -0.32 4.92 2.81 -1.26 -4.76 117.12 121.13 2jkt n MET 161 Ca 0.04 0.46 -0.04 0.00 -1.81 0.00 0.00 57.70 56.35 2jkt n MET 161 Cb 0.39 -2.51 0.08 0.00 -0.71 0.00 0.00 33.22 30.47 2jkt n MET 161 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2jkt h ASP 162 N 0.69 1.12 -0.51 7.83 3.32 -1.98 0.20 116.42 127.08 2jkt h ASP 162 Ca -0.51 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.40 2jkt h ASP 162 Cb 1.34 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 2jkt h ASP 162 CO 0.54 0.92 0.25 0.77 -1.72 0.00 0.00 179.24 180.00 2jkt h SER 163 N 1.23 0.69 0.10 6.45 4.64 -2.00 -0.79 113.55 123.86 2jkt h SER 163 Ca 0.30 -0.07 -0.25 0.00 -0.47 0.00 0.00 61.79 61.30 2jkt h SER 163 Cb 0.08 -0.18 0.03 0.00 -0.31 0.00 0.00 62.40 62.02 2jkt h SER 163 CO -0.04 0.59 -1.05 0.58 -0.87 0.00 0.00 176.83 176.04 2jkt h VAL 164 N 0.77 1.34 -0.42 0.95 2.07 -1.69 -2.72 116.25 116.54 2jkt h VAL 164 Ca 0.19 -2.39 0.08 0.00 0.82 0.00 0.00 66.70 65.41 2jkt h VAL 164 Cb 0.09 2.74 -0.09 0.00 -1.52 0.00 0.00 31.29 32.51 2jkt h VAL 164 CO -0.02 0.71 -0.33 0.11 0.02 0.00 0.00 177.57 178.06 2jkt h LYS 165 N 0.11 -0.24 -0.25 1.57 1.57 -0.31 0.71 116.57 119.73 2jkt h LYS 165 Ca -0.16 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2jkt h LYS 165 Cb 1.75 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 34.04 2jkt h LYS 165 CO 0.20 -0.16 -0.47 1.96 -0.57 0.00 0.00 179.45 180.41 2jkt h GLN 166 N -0.24 -0.44 -0.49 3.15 4.20 -1.14 -1.76 115.11 118.38 2jkt h GLN 166 Ca 0.18 0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.82 2jkt h GLN 166 Cb 0.54 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2jkt h GLN 166 CO -0.56 -0.29 -0.07 0.77 -0.67 0.00 0.00 178.83 178.01 2jkt h SER 167 N -0.45 0.87 -0.64 1.46 0.02 -1.04 -2.56 113.55 111.21 2jkt h SER 167 Ca 0.08 -0.26 0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2jkt h SER 167 Cb 0.63 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 2jkt h SER 167 CO -0.49 0.97 0.28 0.00 -1.14 0.00 0.00 176.83 176.46 2jkt h ALA 168 N 1.11 0.84 0.11 3.77 0.00 0.90 0.17 119.26 126.17 2jkt h ALA 168 Ca 0.14 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2jkt h ALA 168 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jkt h ALA 168 CO 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 179.25 179.12 2jkt h ALA 169 N 1.40 -0.15 0.00 0.00 0.00 -1.13 -1.01 119.26 118.38 2jkt h ALA 169 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jkt h ALA 169 Cb 0.34 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jkt h ALA 169 CO -0.27 -0.48 0.00 1.28 0.00 0.00 0.00 179.25 179.78 2jkt n LEU 170 N -5.06 0.24 -0.08 0.00 4.77 -0.98 -1.57 117.00 114.33 2jkt n LEU 170 Ca -0.08 0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 56.28 2jkt n LEU 170 Cb 0.16 -0.53 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 2jkt n LEU 170 CO 0.33 -0.37 -0.00 0.00 -1.33 0.00 0.00 177.39 176.02 2jkt h LEU 172 N -0.95 0.72 -1.36 0.00 5.85 -0.88 -1.21 115.31 117.48 2jkt h LEU 172 Ca -0.15 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 2jkt h LEU 172 Cb 1.17 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2jkt h LEU 172 CO -0.07 0.37 -0.13 0.25 -0.34 0.00 0.00 178.44 178.51 2jkt h LEU 173 N 0.76 0.24 -0.40 2.25 5.85 -1.40 0.10 115.31 122.73 2jkt h LEU 173 Ca 0.46 -0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.95 2jkt h LEU 173 Cb 0.66 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 2jkt h LEU 173 CO -0.22 0.41 -0.53 -0.09 -0.34 0.00 0.00 178.44 177.67 2jkt h ARG 174 N 0.24 0.76 -0.13 1.25 9.65 -1.27 -2.53 114.38 122.35 2jkt h ARG 174 Ca 0.05 -0.47 -0.09 0.00 -1.10 0.00 0.00 59.98 58.37 2jkt h ARG 174 Cb 0.39 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 2jkt h ARG 174 CO 0.02 1.10 -0.33 -0.07 2.80 0.00 0.00 179.97 183.49 2jkt h LEU 175 N 0.59 0.25 -0.58 3.80 3.38 -0.57 -1.11 115.31 121.07 2jkt h LEU 175 Ca 0.02 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 2jkt h LEU 175 Cb 1.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2jkt h LEU 175 CO 0.11 0.57 -0.60 0.22 0.09 0.00 0.00 178.44 178.84 2jkt h TYR 176 N 0.22 0.00 0.00 1.13 3.20 -0.79 0.65 116.97 121.38 2jkt h TYR 176 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2jkt h TYR 176 Cb 0.69 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2jkt h TYR 176 CO 0.01 0.60 -0.19 0.00 -1.64 0.00 0.00 178.16 176.94 2jkt h ARG 177 N 0.00 0.00 0.00 1.82 3.08 -1.25 -3.15 114.38 114.87 2jkt h ARG 177 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 2jkt h ARG 177 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 2jkt h ARG 177 CO 0.08 0.00 -1.08 1.15 -1.07 0.00 0.00 179.97 179.05 2jkt h THR 178 N 0.00 0.81 -2.19 2.04 2.02 -0.84 -3.44 112.91 111.32 2jkt h THR 178 Ca 0.00 -2.00 -0.55 0.00 0.77 0.00 0.00 66.41 64.62 2jkt h THR 178 Cb 0.91 1.93 -0.37 0.00 -1.74 0.00 0.00 68.15 68.88 2jkt h THR 178 CO 0.00 0.28 -0.96 -1.20 0.37 0.00 0.00 175.52 174.00 2jkt n SER 179 N -4.47 -0.61 0.04 4.18 7.64 0.19 -4.98 113.62 115.62 2jkt n SER 179 Ca -0.27 -2.47 0.21 0.00 1.01 0.00 0.00 58.87 57.35 2jkt n SER 179 Cb 0.60 -0.39 0.73 0.00 -1.01 0.00 0.00 64.21 64.15 2jkt n SER 179 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2jkt h PRO 180 N 5.31 0.00 0.08 1.43 0.11 -1.71 0.21 132.00 137.44 2jkt h PRO 180 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2jkt h PRO 180 Cb 0.92 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2jkt h PRO 180 CO 0.36 0.00 -0.08 0.38 -0.21 0.00 0.00 178.00 178.45 2jkt h ASP 181 N 0.00 -0.22 0.26 -2.05 3.04 -1.91 -3.04 116.42 112.50 2jkt h ASP 181 Ca 0.23 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 54.04 2jkt h ASP 181 Cb 1.05 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 2jkt h ASP 181 CO -0.00 -0.13 0.00 -0.07 -2.04 0.00 0.00 179.24 177.00 2jkt h LEU 182 N -0.19 0.00 -8.49 0.15 3.38 -0.92 -3.36 115.31 105.89 2jkt h LEU 182 Ca 0.01 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 2jkt h LEU 182 Cb 0.18 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.74 2jkt h LEU 182 CO -0.03 0.00 -0.26 -0.69 0.09 0.00 0.00 178.44 177.55 2jkt s VAL 183 N -3.89 5.13 0.00 1.22 1.01 -1.15 -4.80 120.40 117.92 2jkt s VAL 183 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2jkt s VAL 183 Cb 0.11 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2jkt s VAL 183 CO 0.40 -0.44 0.00 -2.65 0.00 0.00 0.00 175.10 172.41 2jkt n PRO 184 N 5.49 2.70 -2.72 2.72 -0.02 -1.26 -4.93 135.00 136.98 2jkt n PRO 184 Ca -0.09 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.34 2jkt n PRO 184 Cb 0.47 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.00 2jkt n PRO 184 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2jkt n MET 185 N 0.00 1.36 0.00 -0.52 2.81 -1.26 -5.11 117.12 114.40 2jkt n MET 185 Ca 0.00 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 52.83 2jkt n MET 185 Cb 0.00 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2jkt n MET 185 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jkt n GLY 186 N -0.39 -2.23 0.16 3.03 0.00 -1.26 -4.75 105.19 99.74 2jkt n GLY 186 Ca 0.05 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.46 2jkt n GLY 186 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jkt h ASP 187 N 0.00 0.00 0.40 1.61 3.04 -2.05 -3.23 116.42 116.18 2jkt h ASP 187 Ca 0.00 -0.02 -0.02 0.00 -3.24 0.00 0.00 57.03 53.75 2jkt h ASP 187 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2jkt h ASP 187 CO 0.00 0.01 -0.07 4.11 -2.04 0.00 0.00 179.24 181.25 2jkt h TRP 188 N 0.00 0.00 0.00 4.15 5.08 -1.98 -3.31 115.95 119.90 2jkt h TRP 188 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2jkt h TRP 188 Cb 0.94 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 2jkt h TRP 188 CO 0.00 0.07 0.00 2.41 -1.28 0.00 0.00 178.44 179.64 2jkt n THR 189 N -3.46 0.00 0.24 0.12 -1.04 -1.22 0.04 114.28 108.95 2jkt n THR 189 Ca -0.02 1.42 0.17 0.00 -2.04 0.00 0.00 64.05 63.58 2jkt n THR 189 Cb 0.21 -1.92 0.88 0.00 -1.82 0.00 0.00 70.33 67.68 2jkt n THR 189 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2jkt h SER 190 N 0.00 0.00 0.13 8.00 4.64 -1.86 0.25 113.55 124.72 2jkt h SER 190 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jkt h SER 190 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jkt h SER 190 CO 0.00 0.00 -0.23 0.54 -0.87 0.00 0.00 176.83 176.27 2jkt n ARG 191 N -3.67 1.15 -0.03 4.77 1.74 0.07 -2.41 116.66 118.29 2jkt n ARG 191 Ca 0.00 -0.76 -0.19 0.00 -0.77 0.00 0.00 57.85 56.13 2jkt n ARG 191 Cb 0.27 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 30.09 2jkt n ARG 191 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jkt n VAL 192 N -0.26 1.70 -0.31 1.55 0.31 0.11 -3.91 118.33 117.51 2jkt n VAL 192 Ca 0.13 -0.66 0.04 0.00 -0.01 0.00 0.00 64.34 63.85 2jkt n VAL 192 Cb 0.39 -1.58 0.19 0.00 -0.91 0.00 0.00 33.84 31.93 2jkt n VAL 192 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jkt h VAL 193 N 0.05 0.88 0.00 2.52 2.07 -1.38 -0.21 116.25 120.18 2jkt h VAL 193 Ca -0.45 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2jkt h VAL 193 Cb 2.01 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2jkt h VAL 193 CO 0.05 0.15 -0.01 -0.74 0.02 0.00 0.00 177.57 177.04 2jkt h HIS 194 N 0.81 0.00 0.00 1.57 6.17 -1.61 -2.13 115.15 119.95 2jkt h HIS 194 Ca 0.43 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.51 2jkt h HIS 194 Cb 0.44 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.37 2jkt h HIS 194 CO -0.05 0.01 0.00 -0.07 0.71 0.00 0.00 177.93 178.52 2jkt h LEU 195 N 0.00 0.00 -1.68 0.26 3.38 -1.14 -2.36 115.31 113.77 2jkt h LEU 195 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jkt h LEU 195 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jkt h LEU 195 CO 0.00 0.00 -0.18 -0.07 0.09 0.00 0.00 178.44 178.28 2jkt h LEU 196 N 0.00 0.00 -1.23 1.67 3.38 -1.53 -1.42 115.31 116.18 2jkt h LEU 196 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jkt h LEU 196 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2jkt h LEU 196 CO 0.00 0.18 0.00 0.59 0.09 0.00 0.00 178.44 179.30 2jkt n ASN 197 N -3.74 1.83 -4.74 -0.43 3.02 -0.89 -4.85 115.26 105.46 2jkt n ASN 197 Ca -0.02 -1.83 -0.35 0.00 -0.03 0.00 0.00 54.58 52.35 2jkt n ASN 197 Cb 0.29 -0.16 0.06 0.00 -0.61 0.00 0.00 39.78 39.36 2jkt n ASN 197 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jkt s ASP 198 N -1.34 4.69 0.04 6.41 -1.08 -0.53 -4.93 116.67 119.93 2jkt s ASP 198 Ca 0.29 2.42 -0.25 0.00 -0.52 0.00 0.00 52.55 54.49 2jkt s ASP 198 Cb 0.16 -2.60 -0.17 0.00 -1.46 0.00 0.00 42.92 38.85 2jkt s ASP 198 CO 0.23 -1.93 1.49 -0.61 0.52 0.00 0.00 175.17 174.86 2jkt h GLN 199 N 0.35 -0.21 -6.35 4.34 4.15 -1.93 -3.42 115.11 112.05 2jkt h GLN 199 Ca -0.49 0.01 -0.54 0.00 0.77 0.00 0.00 58.65 58.40 2jkt h GLN 199 Cb 1.30 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.04 2jkt h GLN 199 CO 0.53 0.02 0.95 -1.58 -1.93 0.00 0.00 178.83 176.82 2jkt s HIS 200 N -5.34 2.49 0.31 3.99 2.46 -1.26 -4.92 115.29 113.02 2jkt s HIS 200 Ca -0.15 0.52 0.07 0.00 0.47 0.00 0.00 55.06 55.98 2jkt s HIS 200 Cb 0.04 -3.80 0.49 0.00 -0.13 0.00 0.00 32.58 29.18 2jkt s HIS 200 CO 0.63 -3.17 1.73 -0.07 -2.47 0.00 0.00 174.74 171.39 2jkt h LEU 201 N 9.01 0.25 -1.70 8.88 3.38 -2.00 -2.87 115.31 130.26 2jkt h LEU 201 Ca -0.39 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2jkt h LEU 201 Cb 1.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2jkt h LEU 201 CO 0.93 0.61 -0.13 1.23 0.09 0.00 0.00 178.44 181.17 2jkt h GLY 202 N 1.15 0.00 0.76 0.83 0.00 -1.96 0.14 103.07 103.99 2jkt h GLY 202 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 2jkt h GLY 202 CO 0.06 0.00 -0.10 -2.08 0.00 0.00 0.00 176.54 174.42 2jkt h VAL 203 N 0.00 1.32 -0.53 4.60 2.07 -1.84 -2.48 116.25 119.40 2jkt h VAL 203 Ca -0.00 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.38 2jkt h VAL 203 Cb 0.45 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 2jkt h VAL 203 CO 0.02 0.35 0.26 0.58 0.02 0.00 0.00 177.57 178.80 2jkt h VAL 204 N 0.01 0.94 -0.54 2.57 2.07 -1.14 0.19 116.25 120.35 2jkt h VAL 204 Ca 0.03 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2jkt h VAL 204 Cb 0.59 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2jkt h VAL 204 CO 0.03 0.09 0.25 0.74 0.02 0.00 0.00 177.57 178.70 2jkt h THR 205 N 0.51 1.18 0.16 2.57 2.02 -1.00 -0.53 112.91 117.82 2jkt h THR 205 Ca 0.24 -0.52 -0.28 0.00 0.77 0.00 0.00 66.41 66.63 2jkt h THR 205 Cb 0.16 0.50 0.03 0.00 -1.74 0.00 0.00 68.15 67.10 2jkt h THR 205 CO -0.17 0.21 -1.17 0.00 0.37 0.00 0.00 175.52 174.76 2jkt h ALA 206 N 1.53 -0.07 -0.51 6.16 0.00 -0.92 -3.17 119.26 122.26 2jkt h ALA 206 Ca 0.19 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2jkt h ALA 206 Cb 0.09 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2jkt h ALA 206 CO -0.02 0.59 0.31 0.00 0.00 0.00 0.00 179.25 180.12 2jkt h ALA 207 N 0.20 1.57 0.00 0.00 0.00 -0.37 -2.80 119.26 117.86 2jkt h ALA 207 Ca -0.19 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2jkt h ALA 207 Cb 1.89 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2jkt h ALA 207 CO 0.22 0.37 -0.55 1.15 0.00 0.00 0.00 179.25 180.44 2jkt h THR 208 N 0.70 1.19 -0.15 0.00 2.02 -1.16 0.11 112.91 115.62 2jkt h THR 208 Ca 0.19 -2.05 -0.21 0.00 0.77 0.00 0.00 66.41 65.10 2jkt h THR 208 Cb -0.02 2.17 0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2jkt h THR 208 CO -0.03 0.54 -0.75 0.28 0.37 0.00 0.00 175.52 175.92 2jkt h SER 209 N 0.00 0.86 -0.51 4.18 0.02 -1.47 -2.20 113.55 114.43 2jkt h SER 209 Ca -0.01 -0.56 -0.07 0.00 -0.84 0.00 0.00 61.79 60.31 2jkt h SER 209 Cb 1.13 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 2jkt h SER 209 CO 0.07 1.35 0.03 0.25 -1.14 0.00 0.00 176.83 177.39 2jkt h LEU 210 N 0.50 0.86 -0.84 5.07 5.85 -1.27 -2.77 115.31 122.72 2jkt h LEU 210 Ca -0.04 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.27 2jkt h LEU 210 Cb 1.37 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2jkt h LEU 210 CO 0.15 0.94 -0.56 0.40 -0.34 0.00 0.00 178.44 179.03 2jkt h ILE 211 N 0.76 1.34 0.00 4.05 2.04 -0.77 -2.19 117.51 122.74 2jkt h ILE 211 Ca 0.15 -1.95 -0.18 0.00 1.00 0.00 0.00 64.86 63.88 2jkt h ILE 211 Cb 0.48 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 2jkt h ILE 211 CO 0.02 0.55 -0.84 0.74 0.00 0.00 0.00 178.15 178.62 2jkt h THR 212 N 0.00 1.56 0.00 -0.27 2.02 -1.31 -1.68 112.91 113.24 2jkt h THR 212 Ca -0.01 -2.92 -0.16 0.00 0.77 0.00 0.00 66.41 64.10 2jkt h THR 212 Cb 1.02 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 70.00 2jkt h THR 212 CO 0.07 0.82 -1.03 0.74 0.37 0.00 0.00 175.52 176.50 2jkt h THR 213 N 0.00 0.80 -0.00 3.16 2.02 -1.37 -3.28 112.91 114.24 2jkt h THR 213 Ca -0.01 -2.29 -0.00 0.00 0.77 0.00 0.00 66.41 64.88 2jkt h THR 213 Cb 1.53 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 70.24 2jkt h THR 213 CO 0.11 0.46 -0.02 -0.07 0.37 0.00 0.00 175.52 176.37 2jkt h LEU 214 N 0.00 0.02 -1.80 2.58 3.38 -1.43 -3.28 115.31 114.78 2jkt h LEU 214 Ca -0.09 -0.76 0.16 0.00 0.09 0.00 0.00 57.88 57.28 2jkt h LEU 214 Cb 1.55 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 2jkt h LEU 214 CO 0.07 0.77 0.60 0.00 0.09 0.00 0.00 178.44 179.97 2jkt h ALA 215 N 0.24 2.29 0.00 1.53 0.00 -1.43 -0.39 119.26 121.50 2jkt h ALA 215 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jkt h ALA 215 Cb 0.78 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2jkt h ALA 215 CO 0.00 -0.88 0.00 1.04 0.00 0.00 0.00 179.25 179.41 2jkt n GLN 216 N -3.61 0.06 0.00 0.00 6.02 -1.24 -1.02 117.38 117.60 2jkt n GLN 216 Ca 0.11 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2jkt n GLN 216 Cb 0.81 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.57 2jkt n GLN 216 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2jkt n LYS 217 N -1.45 -0.00 -2.70 -1.09 5.02 -0.50 -4.81 118.16 112.62 2jkt n LYS 217 Ca 0.06 -0.12 -0.07 0.00 -2.02 0.00 0.00 58.31 56.15 2jkt n LYS 217 Cb 0.21 -0.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.75 2jkt n LYS 217 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jkt n ASN 218 N -0.00 1.51 -0.29 4.39 3.02 -0.27 -4.97 115.26 118.65 2jkt n ASN 218 Ca 0.00 -2.55 0.21 0.00 -0.03 0.00 0.00 54.58 52.21 2jkt n ASN 218 Cb 0.31 -0.52 0.51 0.00 -0.61 0.00 0.00 39.78 39.48 2jkt n ASN 218 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2jkt h PRO 219 N 2.90 0.38 -0.01 3.52 0.11 -1.30 -1.29 132.00 136.31 2jkt h PRO 219 Ca -0.10 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.79 2jkt h PRO 219 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2jkt h PRO 219 CO 0.42 0.25 -0.85 0.93 -0.21 0.00 0.00 178.00 178.55 2jkt h GLU 220 N 0.40 0.23 0.00 1.05 4.39 -1.93 -2.36 114.58 116.36 2jkt h GLU 220 Ca 0.54 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 2jkt h GLU 220 Cb 1.37 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.08 2jkt h GLU 220 CO -0.23 0.95 -0.22 1.49 -1.16 0.00 0.00 179.01 179.84 2jkt h GLU 221 N 0.14 0.00 -0.15 2.33 4.57 -1.63 -3.18 114.58 116.66 2jkt h GLU 221 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2jkt h GLU 221 Cb 1.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 2jkt h GLU 221 CO 0.13 0.22 0.00 1.19 -1.18 0.00 0.00 179.01 179.37 2jkt n PHE 222 N -3.95 0.20 0.00 0.92 3.01 -1.16 -4.59 117.46 111.89 2jkt n PHE 222 Ca -0.02 -0.46 0.00 0.00 1.01 0.00 0.00 57.45 57.98 2jkt n PHE 222 Cb 0.30 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 39.74 2jkt n PHE 222 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2jkt n LYS 223 N -0.01 0.00 0.23 -1.08 4.81 -0.90 -0.25 118.16 120.96 2jkt n LYS 223 Ca 0.05 0.38 0.12 0.00 -0.87 0.00 0.00 58.31 58.00 2jkt n LYS 223 Cb 0.32 -1.63 0.24 0.00 0.02 0.00 0.00 35.03 33.98 2jkt n LYS 223 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2jkt h THR 224 N 0.00 0.03 0.00 3.15 2.02 -1.85 -3.28 112.91 112.99 2jkt h THR 224 Ca 0.00 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 2jkt h THR 224 Cb 0.24 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2jkt h THR 224 CO 0.00 0.02 0.00 0.77 0.37 0.00 0.00 175.52 176.68 2jkt h SER 225 N 0.00 0.00 -0.25 4.18 4.64 -1.00 -3.23 113.55 117.89 2jkt h SER 225 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2jkt h SER 225 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2jkt h SER 225 CO 0.00 0.00 -0.16 0.58 -0.87 0.00 0.00 176.83 176.38 2jkt h VAL 226 N 0.00 1.31 -0.53 0.95 2.07 -1.74 -0.30 116.25 118.01 2jkt h VAL 226 Ca 0.00 -1.28 0.13 0.00 0.82 0.00 0.00 66.70 66.37 2jkt h VAL 226 Cb 0.74 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 2jkt h VAL 226 CO 0.00 0.40 0.37 -1.28 0.02 0.00 0.00 177.57 177.08 2jkt h SER 227 N 0.26 0.12 0.00 0.57 0.87 -1.79 -2.61 113.55 110.99 2jkt h SER 227 Ca 0.05 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.33 2jkt h SER 227 Cb 0.69 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 2jkt h SER 227 CO 0.05 0.07 -1.57 0.18 -0.53 0.00 0.00 176.83 175.02 2jkt n LEU 228 N -4.42 1.91 -0.16 2.23 4.77 -1.10 -2.99 117.00 117.24 2jkt n LEU 228 Ca 0.09 0.39 0.28 0.00 -0.03 0.00 0.00 56.01 56.75 2jkt n LEU 228 Cb 0.51 -0.94 0.72 0.00 -2.33 0.00 0.00 43.42 41.38 2jkt n LEU 228 CO 0.36 0.36 1.25 0.00 -1.33 0.00 0.00 177.39 178.03 2jkt h ALA 229 N -0.59 2.81 0.28 -1.18 0.00 -1.01 0.25 119.26 119.82 2jkt h ALA 229 Ca -0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2jkt h ALA 229 Cb 1.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2jkt h ALA 229 CO -0.25 -1.06 -0.13 0.28 0.00 0.00 0.00 179.25 178.08 2jkt h VAL 230 N 0.00 0.46 -0.69 0.00 2.07 -1.61 -1.79 116.25 114.69 2jkt h VAL 230 Ca 0.41 -0.86 0.20 0.00 0.82 0.00 0.00 66.70 67.26 2jkt h VAL 230 Cb 1.64 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 2jkt h VAL 230 CO -0.00 0.11 0.50 0.28 0.02 0.00 0.00 177.57 178.48 2jkt h SER 231 N -0.98 0.00 0.03 0.57 0.02 -0.60 0.10 113.55 112.69 2jkt h SER 231 Ca -0.04 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.74 2jkt h SER 231 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2jkt h SER 231 CO 0.06 0.00 -0.91 0.03 -1.14 0.00 0.00 176.83 174.88 2jkt h ARG 232 N 0.00 0.07 -0.49 3.45 2.47 -0.74 -2.83 114.38 116.30 2jkt h ARG 232 Ca 0.33 -0.12 0.12 0.00 -1.26 0.00 0.00 59.98 59.05 2jkt h ARG 232 Cb 1.32 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.66 2jkt h ARG 232 CO -0.00 1.06 0.35 1.25 0.56 0.00 0.00 179.97 183.18 2jkt h LEU 233 N -0.80 0.10 0.01 3.04 5.85 -0.92 0.99 115.31 123.59 2jkt h LEU 233 Ca -0.23 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2jkt h LEU 233 Cb 1.34 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2jkt h LEU 233 CO -0.07 0.06 -0.01 0.28 -0.34 0.00 0.00 178.44 178.37 2jkt h SER 234 N 0.11 -0.01 0.90 1.25 0.02 -0.90 -2.95 113.55 111.97 2jkt h SER 234 Ca 0.23 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2jkt h SER 234 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2jkt h SER 234 CO -0.03 0.26 0.00 0.03 -1.14 0.00 0.00 176.83 175.95 2jkt h ARG 235 N -0.29 0.00 0.00 3.45 3.08 -0.79 -3.02 114.38 116.81 2jkt h ARG 235 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2jkt h ARG 235 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2jkt h ARG 235 CO 0.00 0.00 -0.05 0.82 -1.07 0.00 0.00 179.97 179.67 2jkt h ILE 236 N 0.00 0.93 0.00 2.04 2.04 -0.87 -3.26 117.51 118.40 2jkt h ILE 236 Ca 0.00 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2jkt h ILE 236 Cb 0.45 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2jkt h ILE 236 CO 0.00 0.32 0.00 1.33 0.00 0.00 0.00 178.15 179.80 2jkt n VAL 237 N -4.68 0.00 0.00 1.67 0.24 -1.12 -3.88 118.33 110.56 2jkt n VAL 237 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2jkt n VAL 237 Cb 0.27 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 2jkt n VAL 237 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2jkt n THR 238 N -0.96 0.00 -1.68 3.34 -2.24 -1.14 -4.96 114.28 106.64 2jkt n THR 238 Ca 0.18 0.00 -0.62 0.00 -2.27 0.00 0.00 64.05 61.35 2jkt n THR 238 Cb 0.08 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 67.79 2jkt n THR 238 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jkt n SER 239 N -0.65 1.37 0.00 3.42 3.41 -1.23 -4.92 113.62 115.02 2jkt n SER 239 Ca 0.00 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 2jkt n SER 239 Cb 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 2jkt n SER 239 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jkt n ALA 240 N 3.80 0.00 0.06 7.33 0.00 -1.26 -4.81 120.51 125.64 2jkt n ALA 240 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.69 2jkt n ALA 240 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 2jkt n ALA 240 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jkt h SER 241 N 0.00 0.00 0.66 0.00 0.02 -1.93 -3.36 113.55 108.94 2jkt h SER 241 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 2jkt h SER 241 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2jkt h SER 241 CO 0.00 0.69 -1.01 0.71 -1.14 0.00 0.00 176.83 176.08 2jkt h THR 242 N 0.00 1.53 -1.76 -2.27 1.35 -1.97 -3.43 112.91 106.36 2jkt h THR 242 Ca -0.10 -2.88 -0.06 0.00 -0.55 0.00 0.00 66.41 62.81 2jkt h THR 242 Cb 1.61 2.67 0.03 0.00 -1.73 0.00 0.00 68.15 70.74 2jkt h THR 242 CO 0.07 0.84 0.01 0.47 -0.25 0.00 0.00 175.52 176.67 2jkt n ASP 243 N -3.57 -1.30 -3.07 5.36 8.00 -1.26 -4.10 116.55 116.61 2jkt n ASP 243 Ca -0.05 -0.56 -0.11 0.00 0.71 0.00 0.00 54.79 54.78 2jkt n ASP 243 Cb 0.90 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 2jkt n ASP 243 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2jkt n LEU 244 N 0.00 -0.33 0.00 0.64 4.77 -1.26 -4.72 117.00 116.10 2jkt n LEU 244 Ca 0.02 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2jkt n LEU 244 Cb 0.10 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2jkt n LEU 244 CO 0.07 0.15 0.49 0.00 -1.33 0.00 0.00 177.39 176.76 2jkt n GLN 245 N -2.19 0.00 0.27 3.23 6.02 -1.26 -2.48 117.38 120.98 2jkt n GLN 245 Ca -0.10 0.84 0.13 0.00 -0.01 0.00 0.00 57.00 57.87 2jkt n GLN 245 Cb 0.23 -1.48 0.77 0.00 1.02 0.00 0.00 30.24 30.78 2jkt n GLN 245 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2jkt h ASP 246 N 0.00 0.00 0.11 1.08 3.32 -1.94 -2.69 116.42 116.30 2jkt h ASP 246 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jkt h ASP 246 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jkt h ASP 246 CO 0.00 0.09 -0.28 -1.22 -1.72 0.00 0.00 179.24 176.11 2jkt n TYR 247 N -3.69 0.00 -2.49 4.55 4.02 -1.04 -4.87 117.16 113.64 2jkt n TYR 247 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.44 2jkt n TYR 247 Cb 0.20 -0.06 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 2jkt n TYR 247 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jkt s THR 248 N -2.40 4.34 -0.32 -0.72 2.01 -1.02 -1.72 115.64 115.81 2jkt s THR 248 Ca 0.24 1.58 -0.01 0.00 0.31 0.00 0.00 61.69 63.82 2jkt s THR 248 Cb 0.19 -4.16 0.07 0.00 0.01 0.00 0.00 72.50 68.61 2jkt s THR 248 CO 0.50 -0.29 0.03 -0.47 -0.69 0.00 0.00 174.62 173.71 2jkt s TYR 249 N 3.72 3.39 -1.66 4.92 5.04 -0.83 -4.64 117.35 127.29 2jkt s TYR 249 Ca 0.52 -2.17 -0.00 0.00 -2.44 0.00 0.00 57.07 52.98 2jkt s TYR 249 Cb -0.18 -2.41 0.00 0.00 0.35 0.00 0.00 41.96 39.72 2jkt s TYR 249 CO 0.16 -0.86 0.03 0.66 -1.34 0.00 0.00 175.55 174.20 2jkt n TYR 250 N 4.55 -1.13 -0.44 4.97 4.02 -1.26 -1.92 117.16 125.95 2jkt n TYR 250 Ca -0.09 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 2jkt n TYR 250 Cb 0.43 -3.81 0.00 0.00 -0.02 0.00 0.00 39.34 35.94 2jkt n TYR 250 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2jkt n PHE 251 N -3.94 0.00 -3.61 -0.72 0.99 -1.26 -4.49 117.46 104.43 2jkt n PHE 251 Ca -0.22 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 56.82 2jkt n PHE 251 Cb 0.67 0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 39.05 2jkt n PHE 251 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 2jkt s VAL 252 N -2.47 4.34 -0.51 -4.37 1.01 -0.81 -4.96 120.40 112.63 2jkt s VAL 252 Ca 0.00 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.54 2jkt s VAL 252 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2jkt s VAL 252 CO 0.00 -0.38 1.92 -2.16 0.00 0.00 0.00 175.10 174.47 2jkt s PRO 253 N 1.48 2.77 -0.83 2.72 0.04 -1.26 -1.97 135.00 137.95 2jkt s PRO 253 Ca 0.02 0.97 -0.02 0.00 0.04 0.00 0.00 61.00 62.00 2jkt s PRO 253 Cb -0.21 -4.36 -0.01 0.00 0.04 0.00 0.00 34.50 29.96 2jkt s PRO 253 CO 0.04 -2.54 0.73 0.00 0.04 0.00 0.00 177.00 175.26 2jkt n ALA 254 N 12.43 -2.55 -0.10 8.56 0.00 -0.70 -4.80 120.51 133.35 2jkt n ALA 254 Ca 0.23 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 2jkt n ALA 254 Cb 0.51 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 2jkt n ALA 254 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2jkt h PRO 255 N -0.04 0.52 0.06 0.00 0.11 -1.80 -1.92 132.00 128.93 2jkt h PRO 255 Ca -0.23 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 2jkt h PRO 255 Cb 1.13 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jkt h PRO 255 CO 0.34 0.66 -0.03 -1.49 -0.21 0.00 0.00 178.00 177.27 2jkt h TRP 256 N 0.33 -0.08 -0.76 0.65 6.55 -1.93 0.15 115.95 120.86 2jkt h TRP 256 Ca 0.09 -0.00 0.11 0.00 0.95 0.00 0.00 58.89 60.03 2jkt h TRP 256 Cb 0.41 0.03 -0.08 0.00 -0.86 0.00 0.00 29.16 28.66 2jkt h TRP 256 CO 0.03 0.12 0.38 1.25 -1.05 0.00 0.00 178.44 179.18 2jkt h LEU 257 N -0.26 0.49 -0.44 -4.49 5.85 -1.93 -0.66 115.31 113.87 2jkt h LEU 257 Ca -0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2jkt h LEU 257 Cb 0.23 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2jkt h LEU 257 CO 0.01 0.26 0.28 0.28 -0.34 0.00 0.00 178.44 178.94 2jkt h SER 258 N 0.62 0.47 0.24 1.25 0.02 -0.81 -0.56 113.55 114.79 2jkt h SER 258 Ca 0.38 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 2jkt h SER 258 Cb 0.44 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2jkt h SER 258 CO -0.29 0.34 -0.17 0.58 -1.14 0.00 0.00 176.83 176.14 2jkt h VAL 259 N 0.57 0.96 0.10 2.27 2.07 0.03 -2.12 116.25 120.13 2jkt h VAL 259 Ca 0.17 -0.63 -0.27 0.00 0.82 0.00 0.00 66.70 66.79 2jkt h VAL 259 Cb -0.04 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2jkt h VAL 259 CO -0.05 0.17 -1.29 0.11 0.02 0.00 0.00 177.57 176.52 2jkt h LYS 260 N 0.00 0.22 -0.06 1.57 1.57 -0.23 -2.22 116.57 117.42 2jkt h LYS 260 Ca -0.00 -0.37 -0.13 0.00 -1.87 0.00 0.00 60.65 58.27 2jkt h LYS 260 Cb 0.34 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2jkt h LYS 260 CO 0.02 1.14 -0.56 -0.07 -0.57 0.00 0.00 179.45 179.41 2jkt h LEU 261 N 0.06 0.21 -0.16 2.94 3.38 -0.93 -1.34 115.31 119.47 2jkt h LEU 261 Ca -0.15 -0.12 -0.23 0.00 0.09 0.00 0.00 57.88 57.48 2jkt h LEU 261 Cb 1.96 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.65 2jkt h LEU 261 CO 0.18 0.73 -0.93 -0.07 0.09 0.00 0.00 178.44 178.44 2jkt h LEU 262 N 0.15 0.63 -1.35 1.67 3.38 -1.40 -1.48 115.31 116.89 2jkt h LEU 262 Ca -0.00 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2jkt h LEU 262 Cb 1.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2jkt h LEU 262 CO 0.08 1.28 -0.25 -0.09 0.09 0.00 0.00 178.44 179.56 2jkt h ARG 263 N 0.29 0.00 -0.05 1.13 9.65 -1.33 -3.09 114.38 120.97 2jkt h ARG 263 Ca -0.08 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.58 2jkt h ARG 263 Cb 1.57 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.16 2jkt h ARG 263 CO 0.17 0.25 -0.80 1.25 2.80 0.00 0.00 179.97 183.64 2jkt h LEU 264 N 0.00 0.79 -1.48 3.80 5.85 -0.96 -3.08 115.31 120.23 2jkt h LEU 264 Ca -0.00 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.02 2jkt h LEU 264 Cb 0.64 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2jkt h LEU 264 CO 0.03 1.38 0.00 -0.07 -0.34 0.00 0.00 178.44 179.44 2jkt h LEU 265 N 0.28 0.00 0.00 2.25 3.38 -1.22 -1.88 115.31 118.12 2jkt h LEU 265 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2jkt h LEU 265 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2jkt h LEU 265 CO 0.16 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.40 2jkt n GLN 266 N -2.44 0.22 0.00 1.13 6.02 -1.16 -3.06 117.38 118.09 2jkt n GLN 266 Ca -0.01 0.12 0.11 0.00 -0.01 0.00 0.00 57.00 57.22 2jkt n GLN 266 Cb 0.11 -1.70 0.67 0.00 1.02 0.00 0.00 30.24 30.34 2jkt n GLN 266 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jkt s TYR 268 N -2.03 1.16 0.90 0.00 1.51 -1.17 -4.95 117.35 112.77 2jkt s TYR 268 Ca 0.33 -1.24 -0.14 0.00 -1.01 0.00 0.00 57.07 55.01 2jkt s TYR 268 Cb 0.15 -0.63 0.15 0.00 -0.11 0.00 0.00 41.96 41.53 2jkt s TYR 268 CO 0.26 -0.48 1.26 -2.14 -1.11 0.00 0.00 175.55 173.34 2jkt s PRO 269 N -4.07 1.16 0.42 -1.71 0.02 -1.26 -4.98 135.00 124.58 2jkt s PRO 269 Ca 0.32 -0.18 -0.25 0.00 0.02 0.00 0.00 61.00 60.91 2jkt s PRO 269 Cb 0.07 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.61 2jkt s PRO 269 CO 0.08 -2.10 1.25 -2.30 -0.33 0.00 0.00 177.00 173.61 2jkt n PRO 270 N -3.60 1.89 -1.64 5.54 -0.02 -1.26 -4.73 135.00 131.18 2jkt n PRO 270 Ca 0.12 0.67 -0.56 0.00 -2.02 0.00 0.00 63.50 61.71 2jkt n PRO 270 Cb 0.60 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 2jkt n PRO 270 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jkt n PRO 271 N 0.05 0.92 -0.36 0.52 -0.02 -1.26 -4.82 135.00 130.03 2jkt n PRO 271 Ca 0.07 0.33 -0.02 0.00 -2.02 0.00 0.00 63.50 61.87 2jkt n PRO 271 Cb 0.39 -1.96 0.12 0.00 -0.02 0.00 0.00 33.50 32.03 2jkt n PRO 271 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2jkt h GLU 272 N 5.39 1.25 -5.99 -0.52 9.09 -1.99 -3.38 114.58 118.44 2jkt h GLU 272 Ca -0.47 -0.08 -0.58 0.00 0.05 0.00 0.00 59.36 58.28 2jkt h GLU 272 Cb 1.34 -0.28 -0.07 0.00 -1.65 0.00 0.00 28.75 28.09 2jkt h GLU 272 CO 0.85 0.83 0.57 0.34 0.05 0.00 0.00 179.01 181.65 2jkt s ASP 273 N -6.05 7.01 0.46 3.06 -1.08 -1.26 -4.96 116.67 113.84 2jkt s ASP 273 Ca -0.13 1.25 0.30 0.00 -0.52 0.00 0.00 52.55 53.45 2jkt s ASP 273 Cb 0.18 -2.49 1.39 0.00 -1.46 0.00 0.00 42.92 40.54 2jkt s ASP 273 CO 0.81 -0.53 1.70 -0.65 0.52 0.00 0.00 175.17 177.02 2jkt h PRO 274 N 7.44 0.15 -0.25 4.34 0.11 -1.97 0.16 132.00 141.96 2jkt h PRO 274 Ca -0.24 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.78 2jkt h PRO 274 Cb 1.10 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2jkt h PRO 274 CO 0.90 0.10 -0.16 0.00 -0.21 0.00 0.00 178.00 178.62 2jkt h ALA 275 N 1.51 0.36 -0.01 -0.75 0.00 -1.94 -0.91 119.26 117.51 2jkt h ALA 275 Ca 0.72 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2jkt h ALA 275 Cb 2.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.04 2jkt h ALA 275 CO -0.26 0.26 -0.02 0.28 0.00 0.00 0.00 179.25 179.50 2jkt h VAL 276 N 0.27 1.44 -0.46 0.00 2.07 -1.53 -1.65 116.25 116.40 2jkt h VAL 276 Ca 0.05 -1.33 0.13 0.00 0.82 0.00 0.00 66.70 66.37 2jkt h VAL 276 Cb 0.69 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 2jkt h VAL 276 CO 0.04 0.35 0.38 -0.09 0.02 0.00 0.00 177.57 178.27 2jkt h ARG 277 N -0.51 0.00 0.25 1.57 2.43 -0.83 -1.06 114.38 116.23 2jkt h ARG 277 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2jkt h ARG 277 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2jkt h ARG 277 CO 0.00 0.00 -0.12 0.78 -1.51 0.00 0.00 179.97 179.12 2jkt h GLY 278 N 0.00 -0.35 1.03 2.80 0.00 -0.82 -2.95 103.07 102.78 2jkt h GLY 278 Ca 0.22 0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 2jkt h GLY 278 CO -0.00 -0.13 0.21 -0.09 0.00 0.00 0.00 176.54 176.53 2jkt h ARG 279 N -0.80 1.04 -0.91 4.80 2.43 -0.44 -1.25 114.38 119.25 2jkt h ARG 279 Ca -0.03 -0.22 0.04 0.00 -0.81 0.00 0.00 59.98 58.95 2jkt h ARG 279 Cb 0.51 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 2jkt h ARG 279 CO 0.06 0.90 0.60 1.25 -1.51 0.00 0.00 179.97 181.27 2jkt h LEU 280 N 0.98 0.97 -0.15 3.80 5.85 -1.34 0.33 115.31 125.75 2jkt h LEU 280 Ca 0.22 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2jkt h LEU 280 Cb 0.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2jkt h LEU 280 CO -0.01 0.66 -0.26 0.74 -0.34 0.00 0.00 178.44 179.23 2jkt h THR 281 N 1.12 0.46 -0.17 1.05 2.02 -1.25 -2.20 112.91 113.94 2jkt h THR 281 Ca 0.37 -1.57 -0.15 0.00 0.77 0.00 0.00 66.41 65.82 2jkt h THR 281 Cb 0.05 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2jkt h THR 281 CO -0.12 0.25 -0.49 -0.33 0.37 0.00 0.00 175.52 175.20 2jkt h GLU 282 N 0.00 0.64 -0.74 6.66 5.08 -0.41 -2.45 114.58 123.36 2jkt h GLU 282 Ca -0.00 -0.46 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 2jkt h GLU 282 Cb 1.14 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2jkt h GLU 282 CO 0.03 1.08 0.26 0.00 -1.00 0.00 0.00 179.01 179.38 2jkt h LEU 284 N 1.09 0.50 -1.10 0.00 3.38 -1.48 -0.43 115.31 117.28 2jkt h LEU 284 Ca 0.24 -0.30 0.18 0.00 0.09 0.00 0.00 57.88 58.10 2jkt h LEU 284 Cb 0.26 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 2jkt h LEU 284 CO -0.01 1.01 0.61 -0.33 0.09 0.00 0.00 178.44 179.81 2jkt h GLU 285 N 0.32 0.72 0.06 1.13 4.39 -0.87 -2.22 114.58 118.11 2jkt h GLU 285 Ca -0.01 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 2jkt h GLU 285 Cb 1.18 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2jkt h GLU 285 CO 0.11 0.48 -0.52 1.15 -1.16 0.00 0.00 179.01 179.07 2jkt h THR 286 N 0.74 1.55 -0.90 1.13 2.02 -0.58 -2.35 112.91 114.53 2jkt h THR 286 Ca 0.55 -2.30 0.18 0.00 0.77 0.00 0.00 66.41 65.60 2jkt h THR 286 Cb 0.87 3.03 -0.10 0.00 -1.74 0.00 0.00 68.15 70.21 2jkt h THR 286 CO -0.32 0.64 0.47 0.40 0.37 0.00 0.00 175.52 177.07 2jkt h ILE 287 N -0.45 0.66 -0.08 3.11 2.04 -0.85 0.29 117.51 122.24 2jkt h ILE 287 Ca -0.08 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.46 2jkt h ILE 287 Cb 1.34 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2jkt h ILE 287 CO 0.10 0.11 -0.47 -0.07 0.00 0.00 0.00 178.15 177.82 2jkt h LEU 288 N 0.60 0.21 0.34 1.44 3.38 -1.45 -2.72 115.31 117.10 2jkt h LEU 288 Ca 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 2jkt h LEU 288 Cb 0.81 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2jkt h LEU 288 CO -0.41 0.66 -0.22 0.78 0.09 0.00 0.00 178.44 179.34 2jkt h ASN 289 N 0.16 -0.54 0.28 -0.43 2.35 0.07 -2.91 115.58 114.57 2jkt h ASN 289 Ca 0.01 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2jkt h ASN 289 Cb 0.90 0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 2jkt h ASN 289 CO 0.07 -0.34 -0.16 0.11 -1.65 0.00 0.00 177.43 175.46 2jkt h LYS 290 N -0.54 0.00 -0.28 0.81 1.79 -1.04 -2.57 116.57 114.75 2jkt h LYS 290 Ca -0.03 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 2jkt h LYS 290 Cb 0.45 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 2jkt h LYS 290 CO 0.03 0.16 0.08 0.00 -1.08 0.00 0.00 179.45 178.64 2jkt h ALA 291 N 1.84 0.31 0.00 3.86 0.00 -1.27 -2.75 119.26 121.24 2jkt h ALA 291 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jkt h ALA 291 Cb 0.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jkt h ALA 291 CO 0.02 -0.33 0.00 1.96 0.00 0.00 0.00 179.25 180.90 2jkt h GLN 292 N 0.20 0.00 -7.20 0.00 4.20 -1.46 -3.46 115.11 107.38 2jkt h GLN 292 Ca 0.13 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.33 2jkt h GLN 292 Cb 0.11 0.00 0.09 0.00 0.30 0.00 0.00 27.48 27.98 2jkt h GLN 292 CO -0.14 0.00 0.37 -1.21 -0.67 0.00 0.00 178.83 177.18 2jkt s GLU 293 N -3.35 2.90 -0.03 1.46 2.02 -1.04 -4.95 118.70 115.71 2jkt s GLU 293 Ca 0.05 1.34 -0.30 0.00 0.02 0.00 0.00 54.97 56.09 2jkt s GLU 293 Cb 0.09 -1.97 -0.07 0.00 0.10 0.00 0.00 34.13 32.28 2jkt s GLU 293 CO 0.53 -1.17 1.88 -1.25 0.02 0.00 0.00 175.26 175.28 2jkt s PRO 294 N -4.12 4.04 0.01 0.39 0.04 -1.26 -4.89 135.00 129.21 2jkt s PRO 294 Ca 0.66 2.39 -0.38 0.00 0.04 0.00 0.00 61.00 63.70 2jkt s PRO 294 Cb -0.19 -4.13 -0.18 0.00 0.04 0.00 0.00 34.50 30.04 2jkt s PRO 294 CO 0.41 -1.05 1.29 -2.30 0.04 0.00 0.00 177.00 175.40 2jkt n PRO 295 N 7.54 0.72 0.14 0.56 -0.02 -1.26 -4.89 135.00 137.80 2jkt n PRO 295 Ca 0.20 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 2jkt n PRO 295 Cb 0.42 -1.85 0.52 0.00 -0.02 0.00 0.00 33.50 32.57 2jkt n PRO 295 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2jkt n LYS 296 N 2.46 0.18 -2.61 -0.52 5.02 -1.26 -4.79 118.16 116.64 2jkt n LYS 296 Ca 0.20 0.49 -0.05 0.00 -2.02 0.00 0.00 58.31 56.93 2jkt n LYS 296 Cb 0.14 -1.90 0.02 0.00 -0.02 0.00 0.00 35.03 33.26 2jkt n LYS 296 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jkt n SER 297 N -2.26 -1.32 0.00 4.39 2.88 -1.26 -5.08 113.62 110.97 2jkt n SER 297 Ca 0.01 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 2jkt n SER 297 Cb 0.17 2.20 0.00 0.00 -0.75 0.00 0.00 64.21 65.83 2jkt n SER 297 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jkt n LYS 298 N -0.31 2.55 -1.69 -1.46 5.02 -1.26 -4.87 118.16 116.14 2jkt n LYS 298 Ca -0.05 -0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.79 2jkt n LYS 298 Cb 0.34 -0.26 -0.01 0.00 -0.02 0.00 0.00 35.03 35.08 2jkt n LYS 298 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jkt n LYS 299 N -0.37 2.08 0.01 1.97 5.02 -1.26 -4.83 118.16 120.78 2jkt n LYS 299 Ca 0.00 0.73 0.23 0.00 -2.02 0.00 0.00 58.31 57.25 2jkt n LYS 299 Cb 0.02 -2.30 0.73 0.00 -0.02 0.00 0.00 35.03 33.45 2jkt n LYS 299 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2jkt h VAL 300 N 2.54 0.45 0.41 -0.18 3.04 -2.00 -2.55 116.25 117.96 2jkt h VAL 300 Ca -0.46 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.21 2jkt h VAL 300 Cb 1.29 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2jkt h VAL 300 CO 0.63 0.00 -0.20 1.56 -1.01 0.00 0.00 177.57 178.55 2jkt h GLN 301 N 0.00 -0.54 -0.21 4.17 7.50 -1.98 -0.45 115.11 123.60 2jkt h GLN 301 Ca 0.27 0.04 0.06 0.00 0.50 0.00 0.00 58.65 59.51 2jkt h GLN 301 Cb 1.28 0.12 -0.07 0.00 0.05 0.00 0.00 27.48 28.86 2jkt h GLN 301 CO -0.00 -0.26 -0.26 1.25 -1.50 0.00 0.00 178.83 178.06 2jkt h HIS 302 N -0.75 -0.68 -0.95 2.96 -0.00 -1.68 -0.68 115.15 113.36 2jkt h HIS 302 Ca -0.06 0.04 0.20 0.00 -0.00 0.00 0.00 60.37 60.55 2jkt h HIS 302 Cb 0.52 0.33 -0.11 0.00 -0.00 0.00 0.00 27.41 28.15 2jkt h HIS 302 CO -0.00 -0.33 0.53 1.03 -0.00 0.00 0.00 177.93 179.15 2jkt h SER 303 N -0.28 0.62 0.41 3.26 0.87 -1.50 -1.40 113.55 115.53 2jkt h SER 303 Ca 0.12 0.12 -0.22 0.00 -1.23 0.00 0.00 61.79 60.58 2jkt h SER 303 Cb 0.47 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2jkt h SER 303 CO -0.37 0.17 -0.93 0.78 -0.53 0.00 0.00 176.83 175.95 2jkt h ASN 304 N 0.62 0.45 -0.11 6.23 2.35 0.16 -2.36 115.58 122.93 2jkt h ASN 304 Ca 0.57 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 2jkt h ASN 304 Cb 0.97 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 2jkt h ASN 304 CO -0.43 1.17 -0.18 0.00 -1.65 0.00 0.00 177.43 176.33 2jkt h ALA 305 N 0.80 0.17 -0.25 -0.83 0.00 -0.78 -1.71 119.26 116.66 2jkt h ALA 305 Ca -0.07 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2jkt h ALA 305 Cb 1.56 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 2jkt h ALA 305 CO 0.16 0.09 0.01 -0.22 0.00 0.00 0.00 179.25 179.29 2jkt h LYS 306 N -0.11 0.08 0.00 0.00 3.64 -1.36 -2.76 116.57 116.05 2jkt h LYS 306 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jkt h LYS 306 Cb 0.76 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2jkt h LYS 306 CO 0.04 0.06 0.00 0.09 -2.27 0.00 0.00 179.45 177.37 2jkt n ASN 307 N -5.14 0.36 0.14 4.20 3.02 -0.89 -0.95 115.26 116.00 2jkt n ASN 307 Ca -0.01 0.58 -0.24 0.00 -0.03 0.00 0.00 54.58 54.87 2jkt n ASN 307 Cb 0.13 -0.66 -0.16 0.00 -0.61 0.00 0.00 39.78 38.48 2jkt n ASN 307 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkt h ALA 308 N 2.46 -0.11 -0.28 5.41 0.00 -1.03 -2.67 119.26 123.04 2jkt h ALA 308 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 54.91 53.91 2jkt h ALA 308 Cb 0.37 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jkt h ALA 308 CO 0.00 0.75 -0.25 0.28 0.00 0.00 0.00 179.25 180.04 2jkt h VAL 309 N 0.14 1.27 -0.21 0.00 2.07 -1.29 -2.84 116.25 115.39 2jkt h VAL 309 Ca -0.26 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 2jkt h VAL 309 Cb 2.16 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 2jkt h VAL 309 CO 0.26 0.41 -0.09 0.25 0.02 0.00 0.00 177.57 178.43 2jkt h LEU 310 N 0.47 0.44 -1.08 2.57 5.85 -1.11 -2.41 115.31 120.05 2jkt h LEU 310 Ca 0.07 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 2jkt h LEU 310 Cb 0.68 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2jkt h LEU 310 CO 0.05 0.74 -0.24 -0.26 -0.34 0.00 0.00 178.44 178.39 2jkt h PHE 311 N 0.14 0.40 0.03 1.25 -1.00 -1.44 -1.84 116.94 114.49 2jkt h PHE 311 Ca 0.05 -0.08 -0.25 0.00 2.81 0.00 0.00 57.97 60.50 2jkt h PHE 311 Cb 0.57 -0.10 0.01 0.00 3.61 0.00 0.00 35.95 40.04 2jkt h PHE 311 CO 0.06 0.58 -1.05 1.49 -1.61 0.00 0.00 178.31 177.78 2jkt h GLU 312 N 0.32 0.52 -0.04 1.51 4.57 -1.49 -0.84 114.58 119.13 2jkt h GLU 312 Ca 0.05 -0.60 -0.06 0.00 -1.18 0.00 0.00 59.36 57.57 2jkt h GLU 312 Cb 0.61 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2jkt h GLU 312 CO 0.04 1.23 -0.23 0.00 -1.18 0.00 0.00 179.01 178.87 2jkt h ALA 313 N 0.55 1.54 -0.07 2.92 0.00 -1.27 -0.76 119.26 122.17 2jkt h ALA 313 Ca -0.12 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 2jkt h ALA 313 Cb 1.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2jkt h ALA 313 CO 0.19 0.34 -0.59 0.82 0.00 0.00 0.00 179.25 180.01 2jkt h ILE 314 N 0.06 1.39 -0.13 0.00 2.04 -1.18 -2.31 117.51 117.38 2jkt h ILE 314 Ca 0.01 -1.97 -0.15 0.00 1.00 0.00 0.00 64.86 63.76 2jkt h ILE 314 Cb 0.45 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2jkt h ILE 314 CO 0.03 0.58 -0.55 -1.28 0.00 0.00 0.00 178.15 176.94 2jkt h SER 315 N 0.16 0.43 0.32 1.72 0.87 -0.37 -1.21 113.55 115.47 2jkt h SER 315 Ca -0.00 -0.23 -0.10 0.00 -1.23 0.00 0.00 61.79 60.22 2jkt h SER 315 Cb 1.09 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2jkt h SER 315 CO 0.09 0.89 -0.43 0.25 -0.53 0.00 0.00 176.83 177.11 2jkt h LEU 316 N 0.30 0.15 -0.14 2.23 5.85 -1.13 -0.75 115.31 121.82 2jkt h LEU 316 Ca 0.01 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 2jkt h LEU 316 Cb 1.05 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2jkt h LEU 316 CO 0.09 0.56 -0.32 0.40 -0.34 0.00 0.00 178.44 178.84 2jkt h ILE 317 N 0.12 1.36 -0.32 4.05 2.04 -1.12 -1.64 117.51 122.01 2jkt h ILE 317 Ca 0.01 -1.59 -0.07 0.00 1.00 0.00 0.00 64.86 64.21 2jkt h ILE 317 Cb 0.80 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2jkt h ILE 317 CO 0.06 0.48 -0.09 0.40 0.00 0.00 0.00 178.15 179.00 2jkt h ILE 318 N 0.07 1.22 -0.29 -0.67 2.04 -1.21 -1.40 117.51 117.28 2jkt h ILE 318 Ca 0.00 -0.96 -0.09 0.00 1.00 0.00 0.00 64.86 64.81 2jkt h ILE 318 Cb 0.92 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2jkt h ILE 318 CO 0.07 0.32 -0.19 -0.74 0.00 0.00 0.00 178.15 177.61 2jkt h HIS 319 N 0.49 0.74 -0.13 1.37 2.76 -1.06 -3.23 115.15 116.10 2jkt h HIS 319 Ca 0.10 -0.20 -0.04 0.00 -2.20 0.00 0.00 60.37 58.03 2jkt h HIS 319 Cb 0.45 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 2jkt h HIS 319 CO 0.02 0.89 -0.07 0.45 -1.30 0.00 0.00 177.93 177.91 2jkt h HIS 320 N 0.38 0.32 -5.39 5.26 3.86 -1.26 -3.49 115.15 114.83 2jkt h HIS 320 Ca 0.06 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2jkt h HIS 320 Cb 0.72 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2jkt h HIS 320 CO 0.07 0.63 -0.34 -3.47 0.86 0.00 0.00 177.93 175.67 2jkt n ASP 321 N -4.66 -7.75 -3.76 2.45 2.03 -0.53 -4.97 116.55 99.35 2jkt n ASP 321 Ca -0.06 0.25 -0.09 0.00 0.52 0.00 0.00 54.79 55.41 2jkt n ASP 321 Cb 0.30 -5.16 -0.03 0.00 -0.72 0.00 0.00 41.12 35.50 2jkt n ASP 321 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2jkt s SER 322 N -2.73 -0.29 -0.02 1.67 0.01 -1.26 -4.99 113.70 106.09 2jkt s SER 322 Ca 0.15 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.90 2jkt s SER 322 Cb -0.04 0.64 0.01 0.00 0.21 0.00 0.00 66.02 66.84 2jkt s SER 322 CO 0.77 -1.17 0.03 -0.62 0.41 0.00 0.00 173.24 172.66 2jkt n GLU 323 N -0.40 -1.58 -0.25 12.44 4.71 -1.26 -4.59 120.64 129.72 2jkt n GLU 323 Ca -0.08 1.39 0.05 0.00 -0.01 0.00 0.00 57.16 58.51 2jkt n GLU 323 Cb 0.61 -1.28 0.18 0.00 -1.01 0.00 0.00 31.44 29.94 2jkt n GLU 323 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 2jkt h PRO 324 N 4.87 0.36 -0.85 3.49 0.11 -1.98 -2.77 132.00 135.23 2jkt h PRO 324 Ca -0.06 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.19 2jkt h PRO 324 Cb 0.14 -0.08 -0.16 0.00 0.11 0.00 0.00 31.00 31.01 2jkt h PRO 324 CO 0.00 0.24 -0.28 -0.97 -0.21 0.00 0.00 178.00 176.78 2jkt h ASN 325 N 0.37 -1.03 0.56 -2.05 -1.24 -1.86 0.54 115.58 110.88 2jkt h ASN 325 Ca 0.40 0.27 -0.06 0.00 0.71 0.00 0.00 56.30 57.62 2jkt h ASN 325 Cb 0.64 0.60 -0.01 0.00 0.73 0.00 0.00 38.32 40.28 2jkt h ASN 325 CO -0.43 -0.29 -0.30 -0.07 -1.29 0.00 0.00 177.43 175.04 2jkt h LEU 326 N -0.03 0.00 -0.45 0.34 3.38 -1.77 -2.16 115.31 114.62 2jkt h LEU 326 Ca 0.37 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.17 2jkt h LEU 326 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2jkt h LEU 326 CO -0.88 0.30 -0.77 -0.07 0.09 0.00 0.00 178.44 177.11 2jkt h LEU 327 N 0.00 0.18 -0.00 1.67 3.38 0.01 -2.86 115.31 117.69 2jkt h LEU 327 Ca -0.00 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.63 2jkt h LEU 327 Cb 0.66 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.38 2jkt h LEU 327 CO 0.04 0.87 -0.80 0.58 0.09 0.00 0.00 178.44 179.22 2jkt h VAL 328 N 0.09 1.36 -0.22 1.22 2.07 -0.73 -2.88 116.25 117.17 2jkt h VAL 328 Ca -0.02 -2.15 0.04 0.00 0.82 0.00 0.00 66.70 65.39 2jkt h VAL 328 Cb 1.34 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 33.57 2jkt h VAL 328 CO 0.11 0.65 -0.04 0.03 0.02 0.00 0.00 177.57 178.34 2jkt h ARG 329 N 0.12 0.01 -0.72 1.57 2.47 -1.46 -1.56 114.38 114.82 2jkt h ARG 329 Ca -0.10 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 2jkt h ARG 329 Cb 1.49 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.77 2jkt h ARG 329 CO 0.16 0.01 0.43 0.00 0.56 0.00 0.00 179.97 181.13 2jkt h ALA 330 N 1.21 1.40 0.00 0.04 0.00 -1.58 -0.37 119.26 119.97 2jkt h ALA 330 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jkt h ALA 330 Cb 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2jkt h ALA 330 CO -0.21 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.55 2jkt n ASN 332 N -1.33 0.45 0.01 0.00 3.02 -0.26 -3.05 115.26 114.09 2jkt n ASN 332 Ca 0.12 0.20 -0.18 0.00 -0.03 0.00 0.00 54.58 54.70 2jkt n ASN 332 Cb 0.26 0.68 -0.13 0.00 -0.61 0.00 0.00 39.78 39.98 2jkt n ASN 332 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2jkt h GLN 333 N 0.00 0.29 -0.04 3.52 5.75 -1.08 -2.41 115.11 121.14 2jkt h GLN 333 Ca -0.28 -0.38 0.01 0.00 -0.15 0.00 0.00 58.65 57.85 2jkt h GLN 333 Cb 1.78 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 30.45 2jkt h GLN 333 CO 0.04 1.11 0.03 -0.07 -2.65 0.00 0.00 178.83 177.29 2jkt h LEU 334 N -0.35 0.00 -0.33 -2.39 3.38 -1.28 -0.24 115.31 114.09 2jkt h LEU 334 Ca -0.08 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2jkt h LEU 334 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2jkt h LEU 334 CO 0.11 0.00 -0.26 1.23 0.09 0.00 0.00 178.44 179.61 2jkt h GLY 335 N 0.00 0.83 1.85 0.83 0.00 -1.45 -3.20 103.07 101.93 2jkt h GLY 335 Ca 0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 46.47 2jkt h GLY 335 CO -0.00 0.73 -0.28 1.46 0.00 0.00 0.00 176.54 178.45 2jkt h GLN 336 N 0.53 0.18 -0.69 4.80 4.20 -0.55 -2.74 115.11 120.84 2jkt h GLN 336 Ca 0.06 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2jkt h GLN 336 Cb 0.82 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 2jkt h GLN 336 CO 0.07 0.46 0.18 0.74 -0.67 0.00 0.00 178.83 179.61 2jkt h PHE 337 N 0.16 1.15 -0.25 2.96 0.05 -1.38 -1.40 116.94 118.24 2jkt h PHE 337 Ca 0.02 -0.13 -0.08 0.00 3.82 0.00 0.00 57.97 61.60 2jkt h PHE 337 Cb 0.59 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 38.20 2jkt h PHE 337 CO 0.01 0.93 -0.20 -0.07 -0.18 0.00 0.00 178.31 178.80 2jkt h LEU 338 N 1.03 0.45 -0.19 1.54 3.38 -1.49 -2.79 115.31 117.23 2jkt h LEU 338 Ca 0.22 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2jkt h LEU 338 Cb 0.35 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2jkt h LEU 338 CO 0.00 0.66 -0.04 1.56 0.09 0.00 0.00 178.44 180.71 2jkt h GLN 339 N 0.41 0.37 -6.28 1.13 4.20 -1.28 -3.43 115.11 110.22 2jkt h GLN 339 Ca 0.07 -0.14 -0.54 0.00 0.06 0.00 0.00 58.65 58.10 2jkt h GLN 339 Cb 0.58 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.35 2jkt h GLN 339 CO 0.04 0.62 1.24 -1.01 -0.67 0.00 0.00 178.83 179.05 2jkt s HIS 340 N -4.78 1.44 -0.21 2.96 3.76 -0.55 -4.90 115.29 113.01 2jkt s HIS 340 Ca -0.14 -0.13 -0.40 0.00 -0.15 0.00 0.00 55.06 54.23 2jkt s HIS 340 Cb 0.06 -4.12 -0.17 0.00 1.11 0.00 0.00 32.58 29.46 2jkt s HIS 340 CO 0.74 -4.88 1.58 2.89 -0.85 0.00 0.00 174.74 174.22 2jkt n ARG 341 N 7.66 0.89 -3.33 1.40 -4.01 -1.26 -4.77 116.66 113.23 2jkt n ARG 341 Ca 0.21 0.33 0.00 0.00 -1.04 0.00 0.00 57.85 57.34 2jkt n ARG 341 Cb 0.42 -1.96 0.00 0.00 -3.04 0.00 0.00 32.46 27.88 2jkt n ARG 341 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2jkt n GLU 342 N 4.25 -0.98 0.00 2.89 0.00 -1.26 -5.04 120.64 120.50 2jkt n GLU 342 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.41 2jkt n GLU 342 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.55 2jkt n GLU 342 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2jkt n THR 343 N 3.01 0.00 -0.00 6.31 -1.04 -1.26 -4.66 114.28 116.64 2jkt n THR 343 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 2jkt n THR 343 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 2jkt n THR 343 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2jkt h ASN 344 N 0.00 0.40 0.08 8.00 2.35 -1.99 -2.60 115.58 121.82 2jkt h ASN 344 Ca 0.00 -0.80 -0.00 0.00 -0.55 0.00 0.00 56.30 54.94 2jkt h ASN 344 Cb 0.00 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2jkt h ASN 344 CO 0.00 1.15 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.83 2jkt h LEU 345 N -0.31 -0.09 -0.86 1.61 3.38 -1.92 -0.63 115.31 116.49 2jkt h LEU 345 Ca -0.07 -0.29 0.22 0.00 0.09 0.00 0.00 57.88 57.83 2jkt h LEU 345 Cb 1.25 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.89 2jkt h LEU 345 CO 0.10 0.25 0.31 0.03 0.09 0.00 0.00 178.44 179.21 2jkt h ARG 346 N -0.43 0.31 0.53 1.13 3.08 -1.77 0.37 114.38 117.60 2jkt h ARG 346 Ca -0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2jkt h ARG 346 Cb 0.37 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.36 2jkt h ARG 346 CO 0.02 0.20 -0.26 -0.92 -1.07 0.00 0.00 179.97 177.94 2jkt h TYR 347 N 0.31 -0.66 -0.77 3.04 3.20 -1.18 -2.77 116.97 118.13 2jkt h TYR 347 Ca 0.53 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.39 2jkt h TYR 347 Cb 1.02 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.48 2jkt h TYR 347 CO -0.20 -0.34 0.49 -0.07 -1.64 0.00 0.00 178.16 176.41 2jkt h LEU 348 N -0.99 0.90 -0.59 2.82 4.07 -0.16 -2.31 115.31 119.04 2jkt h LEU 348 Ca -0.07 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 2jkt h LEU 348 Cb 0.63 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 2jkt h LEU 348 CO 0.12 0.67 0.13 0.00 -1.08 0.00 0.00 178.44 178.28 2jkt h ALA 349 N 1.49 0.78 0.00 1.53 0.00 -0.36 -1.38 119.26 121.32 2jkt h ALA 349 Ca 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2jkt h ALA 349 Cb -0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2jkt h ALA 349 CO -0.06 0.50 -0.14 -0.07 0.00 0.00 0.00 179.25 179.48 2jkt h LEU 350 N 0.86 0.00 0.00 0.00 3.38 -1.14 0.82 115.31 119.22 2jkt h LEU 350 Ca 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2jkt h LEU 350 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jkt h LEU 350 CO 0.00 0.14 -0.16 -0.08 0.09 0.00 0.00 178.44 178.44 2jkt h GLU 351 N 0.00 0.10 -0.52 1.13 4.81 -0.94 -3.00 114.58 116.17 2jkt h GLU 351 Ca -0.00 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 2jkt h GLU 351 Cb 0.55 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2jkt h GLU 351 CO 0.02 0.89 -0.07 1.03 -0.73 0.00 0.00 179.01 180.15 2jkt h SER 352 N -0.64 0.96 -0.48 1.04 0.87 -0.91 -2.77 113.55 111.62 2jkt h SER 352 Ca -0.02 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.13 2jkt h SER 352 Cb 0.94 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2jkt h SER 352 CO 0.03 1.07 0.01 -0.03 -0.53 0.00 0.00 176.83 177.38 2jkt h MET 353 N 0.82 0.84 0.00 2.24 1.85 -0.98 -1.20 114.93 118.51 2jkt h MET 353 Ca 0.14 -0.26 -0.00 0.00 -0.61 0.00 0.00 59.70 58.96 2jkt h MET 353 Cb 0.62 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 32.57 2jkt h MET 353 CO 0.04 0.88 -0.01 0.00 -0.40 0.00 0.00 176.91 177.42 2jkt h THR 355 N 0.00 0.92 0.00 0.00 2.02 -1.12 -3.29 112.91 111.44 2jkt h THR 355 Ca -0.00 -2.65 -0.01 0.00 0.77 0.00 0.00 66.41 64.52 2jkt h THR 355 Cb 0.05 2.59 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 2jkt h THR 355 CO 0.00 0.75 -0.04 0.25 0.37 0.00 0.00 175.52 176.85 2jkt h LEU 356 N 0.05 0.00 -2.14 2.58 6.46 -0.04 -2.96 115.31 119.26 2jkt h LEU 356 Ca -0.30 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.52 2jkt h LEU 356 Cb 2.02 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.94 2jkt h LEU 356 CO 0.12 0.04 0.30 0.00 -0.62 0.00 0.00 178.44 178.27 2jkt h ALA 357 N 1.96 1.81 -0.69 1.25 0.00 -1.36 -1.59 119.26 120.65 2jkt h ALA 357 Ca -0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2jkt h ALA 357 Cb 0.48 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 2jkt h ALA 357 CO 0.01 -0.41 0.24 -1.13 0.00 0.00 0.00 179.25 177.95 2jkt n SER 358 N -3.61 4.60 -4.85 0.00 3.41 -1.12 -4.92 113.62 107.13 2jkt n SER 358 Ca 0.03 -3.26 -0.36 0.00 -0.26 0.00 0.00 58.87 55.02 2jkt n SER 358 Cb 0.42 -0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 2jkt n SER 358 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jkt s SER 359 N -1.22 6.76 -0.28 4.04 0.15 -0.60 -5.02 113.70 117.53 2jkt s SER 359 Ca 0.54 0.93 0.11 0.00 0.70 0.00 0.00 55.95 58.22 2jkt s SER 359 Cb 0.43 -2.23 0.57 0.00 -1.71 0.00 0.00 66.02 63.08 2jkt s SER 359 CO 0.12 0.22 1.55 -0.62 1.20 0.00 0.00 173.24 175.72 2jkt n GLU 360 N 1.28 2.46 -0.29 5.44 1.02 -1.26 -4.34 120.64 124.95 2jkt n GLU 360 Ca -0.10 -3.05 0.00 0.00 -0.02 0.00 0.00 57.16 53.99 2jkt n GLU 360 Cb 0.52 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2jkt n GLU 360 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2jkt n PHE 361 N -0.82 0.00 0.26 -0.32 3.01 -1.26 -4.79 117.46 113.54 2jkt n PHE 361 Ca 0.34 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.95 2jkt n PHE 361 Cb 1.12 0.04 0.47 0.00 -0.01 0.00 0.00 39.48 41.10 2jkt n PHE 361 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2jkt h SER 362 N 0.00 0.00 -0.07 4.37 4.64 -1.89 -3.37 113.55 117.23 2jkt h SER 362 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2jkt h SER 362 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2jkt h SER 362 CO 0.00 0.00 -0.03 1.41 -0.87 0.00 0.00 176.83 177.34 2jkt n HIS 363 N -3.06 0.00 -2.84 4.77 8.25 -1.26 -3.05 115.22 118.03 2jkt n HIS 363 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 2jkt n HIS 363 Cb 0.39 -0.83 0.03 0.00 1.12 0.00 0.00 29.99 30.70 2jkt n HIS 363 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2jkt n GLU 364 N -1.94 -3.46 0.02 -0.41 1.02 -1.26 -4.87 120.64 109.73 2jkt n GLU 364 Ca -0.02 0.53 0.01 0.00 -0.02 0.00 0.00 57.16 57.66 2jkt n GLU 364 Cb 0.18 -4.59 0.05 0.00 -0.02 0.00 0.00 31.44 27.05 2jkt n GLU 364 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jkt n ALA 365 N -3.18 0.84 -0.22 0.62 0.00 -1.17 -0.64 120.51 116.76 2jkt n ALA 365 Ca -0.05 0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 2jkt n ALA 365 Cb 0.56 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.18 2jkt n ALA 365 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jkt h VAL 366 N 0.00 1.19 0.00 0.00 2.07 -1.89 -2.87 116.25 114.75 2jkt h VAL 366 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2jkt h VAL 366 Cb 0.17 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2jkt h VAL 366 CO 0.00 0.21 0.00 0.29 0.02 0.00 0.00 177.57 178.09 2jkt n LYS 367 N -4.57 0.03 0.15 1.57 5.02 0.19 -1.60 118.16 118.94 2jkt n LYS 367 Ca 0.04 0.30 0.13 0.00 -2.02 0.00 0.00 58.31 56.76 2jkt n LYS 367 Cb 0.08 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 33.88 2jkt n LYS 367 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2jkt h THR 368 N 0.00 0.00 -0.42 -0.18 2.02 -1.69 -3.29 112.91 109.34 2jkt h THR 368 Ca 0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2jkt h THR 368 Cb 0.02 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2jkt h THR 368 CO 0.00 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.30 2jkt n HIS 369 N -2.59 1.21 -0.32 3.16 8.25 -0.63 -4.62 115.22 119.66 2jkt n HIS 369 Ca 0.05 -0.73 0.21 0.00 -0.26 0.00 0.00 57.72 56.99 2jkt n HIS 369 Cb 0.47 -0.29 0.48 0.00 1.12 0.00 0.00 29.99 31.77 2jkt n HIS 369 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2jkt h ILE 370 N 2.78 0.55 0.51 1.59 2.04 -1.74 -0.51 117.51 122.72 2jkt h ILE 370 Ca 0.00 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2jkt h ILE 370 Cb 1.43 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2jkt h ILE 370 CO 0.24 0.08 -0.24 -0.33 0.00 0.00 0.00 178.15 177.90 2jkt h GLU 371 N 0.45 -0.66 -0.88 2.37 4.39 -1.90 -0.58 114.58 117.77 2jkt h GLU 371 Ca 0.59 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.44 2jkt h GLU 371 Cb 1.41 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 30.14 2jkt h GLU 371 CO -0.32 -0.35 0.57 1.15 -1.16 0.00 0.00 179.01 178.89 2jkt h THR 372 N -0.94 0.96 0.00 1.13 2.02 -1.47 -1.37 112.91 113.24 2jkt h THR 372 Ca -0.07 -0.29 -0.24 0.00 0.77 0.00 0.00 66.41 66.57 2jkt h THR 372 Cb 0.61 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 2jkt h THR 372 CO 0.11 0.16 -1.47 -0.37 0.37 0.00 0.00 175.52 174.32 2jkt h VAL 373 N 0.85 0.93 -0.20 3.16 -1.51 -1.38 -2.52 116.25 115.58 2jkt h VAL 373 Ca 0.41 -2.66 -0.04 0.00 -1.23 0.00 0.00 66.70 63.17 2jkt h VAL 373 Cb 0.43 2.42 -0.01 0.00 -2.13 0.00 0.00 31.29 32.00 2jkt h VAL 373 CO -0.17 0.53 -0.07 0.40 -1.23 0.00 0.00 177.57 177.03 2jkt h ILE 374 N 0.00 1.17 0.60 7.19 2.04 -0.71 -2.46 117.51 125.34 2jkt h ILE 374 Ca -0.20 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 2jkt h ILE 374 Cb 1.86 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2jkt h ILE 374 CO 0.08 0.23 -0.29 -1.13 0.00 0.00 0.00 178.15 177.04 2jkt h ASN 375 N 0.30 -0.68 -0.98 1.72 -0.73 -1.28 -2.82 115.58 111.11 2jkt h ASN 375 Ca 0.06 -0.03 0.19 0.00 1.87 0.00 0.00 56.30 58.40 2jkt h ASN 375 Cb 0.31 0.18 -0.18 0.00 0.27 0.00 0.00 38.32 38.89 2jkt h ASN 375 CO 0.01 -0.35 -0.26 0.00 -0.37 0.00 0.00 177.43 176.47 2jkt n ALA 376 N -2.58 0.21 -0.05 1.57 0.00 -0.95 0.20 120.51 118.91 2jkt n ALA 376 Ca -0.12 1.07 0.03 0.00 0.00 0.00 0.00 53.44 54.43 2jkt n ALA 376 Cb 0.35 -0.63 0.39 0.00 0.00 0.00 0.00 19.45 19.55 2jkt n ALA 376 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jkt h LEU 377 N 0.00 0.55 -0.00 0.00 5.85 -1.47 -2.12 115.31 118.12 2jkt h LEU 377 Ca 0.46 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.11 2jkt h LEU 377 Cb 0.71 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2jkt h LEU 377 CO -1.01 0.40 -0.23 0.50 -0.34 0.00 0.00 178.44 177.76 2jkt h LYS 378 N 0.65 0.16 0.00 1.25 3.64 0.25 -3.40 116.57 119.13 2jkt h LYS 378 Ca 0.18 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2jkt h LYS 378 Cb -0.07 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2jkt h LYS 378 CO -0.04 0.90 -0.03 1.79 -2.27 0.00 0.00 179.45 179.81 2jkt h THR 379 N -0.51 0.00 -0.64 1.00 1.35 -1.17 -3.47 112.91 109.47 2jkt h THR 379 Ca -0.03 -0.41 -0.73 0.00 -0.55 0.00 0.00 66.41 64.70 2jkt h THR 379 Cb 0.98 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.40 2jkt h THR 379 CO 0.05 0.00 0.72 -0.62 -0.25 0.00 0.00 175.52 175.42 2jkt n GLU 380 N -3.16 0.00 -2.11 4.72 -0.58 -0.80 -4.97 120.64 113.74 2jkt n GLU 380 Ca -0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.46 2jkt n GLU 380 Cb 0.02 -1.28 0.11 0.00 -0.57 0.00 0.00 31.44 29.72 2jkt n GLU 380 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jkt s ARG 381 N 3.20 1.69 0.00 3.49 0.52 -1.26 -4.71 118.95 121.88 2jkt s ARG 381 Ca 0.93 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.82 2jkt s ARG 381 Cb -1.28 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 32.13 2jkt s ARG 381 CO 0.66 -1.64 0.00 -3.47 0.02 0.00 0.00 175.30 170.87 2jkt n ASP 382 N -3.21 -0.11 0.18 0.23 2.03 -1.26 -4.80 116.55 109.61 2jkt n ASP 382 Ca 0.11 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.57 2jkt n ASP 382 Cb 0.60 -0.05 0.53 0.00 -0.72 0.00 0.00 41.12 41.48 2jkt n ASP 382 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2jkt h VAL 383 N 0.00 0.09 0.49 5.18 2.07 -1.99 0.33 116.25 122.42 2jkt h VAL 383 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2jkt h VAL 383 Cb 0.00 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2jkt h VAL 383 CO 0.00 0.00 -0.24 0.77 0.02 0.00 0.00 177.57 178.12 2jkt h SER 384 N 0.00 -0.56 -0.94 0.57 4.64 -1.99 -2.38 113.55 112.90 2jkt h SER 384 Ca 0.14 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 2jkt h SER 384 Cb 1.50 0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 63.69 2jkt h SER 384 CO -0.00 -0.26 0.62 0.58 -0.87 0.00 0.00 176.83 176.89 2jkt h VAL 385 N -0.86 1.21 -0.85 0.95 2.07 -1.25 -2.62 116.25 114.90 2jkt h VAL 385 Ca -0.07 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.12 2jkt h VAL 385 Cb 0.59 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 2jkt h VAL 385 CO 0.11 0.23 0.55 0.03 0.02 0.00 0.00 177.57 178.51 2jkt h ARG 386 N 1.24 0.80 0.02 1.57 3.08 -1.41 -2.28 114.38 117.40 2jkt h ARG 386 Ca 0.35 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 2jkt h ARG 386 Cb -0.10 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.77 2jkt h ARG 386 CO -0.09 0.53 -0.01 1.96 -1.07 0.00 0.00 179.97 181.29 2jkt h GLN 387 N 0.83 -0.02 -0.04 0.04 4.20 -1.15 -2.88 115.11 116.08 2jkt h GLN 387 Ca 0.39 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.12 2jkt h GLN 387 Cb 0.42 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 2jkt h GLN 387 CO -0.16 0.66 0.37 0.00 -0.67 0.00 0.00 178.83 179.03 2jkt h ARG 388 N -0.75 0.00 0.02 1.46 2.47 -1.08 0.22 114.38 116.71 2jkt h ARG 388 Ca -0.00 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 2jkt h ARG 388 Cb 0.70 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 2jkt h ARG 388 CO 0.00 0.00 -0.53 0.00 0.56 0.00 0.00 179.97 180.00 2jkt h ALA 389 N 1.30 0.08 -0.89 0.04 0.00 -1.43 -3.22 119.26 115.15 2jkt h ALA 389 Ca 0.02 -0.77 0.04 0.00 0.00 0.00 0.00 54.91 54.20 2jkt h ALA 389 Cb 0.75 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2jkt h ALA 389 CO -0.00 0.29 0.58 0.28 0.00 0.00 0.00 179.25 180.41 2jkt h VAL 390 N -0.90 1.14 -0.82 0.00 2.07 -0.47 -1.89 116.25 115.38 2jkt h VAL 390 Ca -0.13 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2jkt h VAL 390 Cb 1.19 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2jkt h VAL 390 CO -0.05 0.20 0.42 0.44 0.02 0.00 0.00 177.57 178.61 2jkt h ASP 391 N 1.10 1.05 -0.19 0.57 3.32 -1.05 -2.14 116.42 119.08 2jkt h ASP 391 Ca 0.35 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 2jkt h ASP 391 Cb 0.03 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2jkt h ASP 391 CO -0.11 0.86 -0.12 0.25 -1.72 0.00 0.00 179.24 178.40 2jkt h LEU 392 N 1.16 0.56 -0.64 1.55 5.85 -1.37 -2.27 115.31 120.15 2jkt h LEU 392 Ca 0.29 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 2jkt h LEU 392 Cb 0.07 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2jkt h LEU 392 CO -0.04 0.71 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.23 2jkt h LEU 393 N 0.53 0.55 -0.68 2.25 3.38 -0.90 -2.63 115.31 117.81 2jkt h LEU 393 Ca 0.10 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2jkt h LEU 393 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jkt h LEU 393 CO 0.03 0.93 -0.07 0.22 0.09 0.00 0.00 178.44 179.65 2jkt h TYR 394 N 0.41 1.05 -0.35 1.13 3.20 -1.20 -2.47 116.97 118.74 2jkt h TYR 394 Ca 0.02 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.70 2jkt h TYR 394 Cb 0.98 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2jkt h TYR 394 CO 0.04 0.97 0.00 0.00 -1.64 0.00 0.00 178.16 177.53 2jkt n ALA 395 N -2.49 2.97 -2.06 1.82 0.00 -0.87 -3.35 120.51 116.52 2jkt n ALA 395 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2jkt n ALA 395 Cb 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2jkt n ALA 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkt n MET 396 N 0.47 0.00 -2.42 0.00 0.00 -1.01 -4.95 117.12 109.22 2jkt n MET 396 Ca 0.15 -1.04 -0.42 0.00 0.00 0.00 0.00 57.70 56.40 2jkt n MET 396 Cb 0.62 -0.37 -0.03 0.00 0.00 0.00 0.00 33.22 33.43 2jkt n MET 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jkt n ASP 398 N 3.30 0.78 0.20 0.00 5.68 -1.26 -5.03 116.55 120.23 2jkt n ASP 398 Ca 0.07 -2.61 0.14 0.00 -0.50 0.00 0.00 54.79 51.89 2jkt n ASP 398 Cb 0.46 0.87 0.70 0.00 -1.14 0.00 0.00 41.12 42.01 2jkt n ASP 398 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2jkt h ARG 399 N 0.00 0.00 0.07 0.11 3.08 -1.95 -2.77 114.38 112.92 2jkt h ARG 399 Ca -0.22 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.55 2jkt h ARG 399 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 2jkt h ARG 399 CO 0.35 0.00 -1.51 0.77 -1.07 0.00 0.00 179.97 178.50 2jkt h SER 400 N 0.00 0.24 -0.18 7.04 0.02 -1.96 -3.36 113.55 115.35 2jkt h SER 400 Ca 0.00 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 2jkt h SER 400 Cb 0.16 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2jkt h SER 400 CO 0.00 1.64 0.00 -0.46 -1.14 0.00 0.00 176.83 176.87 2jkt n ASN 401 N -4.00 3.20 0.01 3.07 2.04 -1.24 -4.60 115.26 113.75 2jkt n ASN 401 Ca -0.30 -2.00 -0.11 0.00 -0.44 0.00 0.00 54.58 51.74 2jkt n ASN 401 Cb 0.85 -0.10 -0.04 0.00 -2.53 0.00 0.00 39.78 37.96 2jkt n ASN 401 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2jkt h ALA 402 N 4.64 -0.38 -0.62 -2.53 0.00 -1.63 0.26 119.26 118.99 2jkt h ALA 402 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2jkt h ALA 402 Cb 1.00 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 2jkt h ALA 402 CO 0.00 -0.80 0.28 1.96 0.00 0.00 0.00 179.25 180.69 2jkt h GLN 403 N -0.40 0.48 -0.29 0.00 4.20 -1.83 0.71 115.11 117.98 2jkt h GLN 403 Ca 0.09 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.82 2jkt h GLN 403 Cb 0.54 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.14 2jkt h GLN 403 CO -0.33 0.32 -0.52 1.96 -0.67 0.00 0.00 178.83 179.59 2jkt h GLN 404 N 0.50 -0.44 -0.03 1.46 1.08 -1.48 -2.63 115.11 113.57 2jkt h GLN 404 Ca 0.30 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.53 2jkt h GLN 404 Cb 0.32 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2jkt h GLN 404 CO -0.26 -0.30 -0.02 0.82 -0.95 0.00 0.00 178.83 178.12 2jkt h ILE 405 N -0.46 1.35 -0.94 2.54 2.04 -0.17 -3.11 117.51 118.76 2jkt h ILE 405 Ca 0.07 -1.08 0.24 0.00 1.00 0.00 0.00 64.86 65.09 2jkt h ILE 405 Cb 0.63 2.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.67 2jkt h ILE 405 CO -0.52 0.29 0.64 0.58 0.00 0.00 0.00 178.15 179.14 2jkt h VAL 406 N -0.36 0.59 0.59 1.67 2.07 -0.84 0.16 116.25 120.12 2jkt h VAL 406 Ca 0.01 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2jkt h VAL 406 Cb 0.48 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2jkt h VAL 406 CO 0.01 0.04 -0.28 0.00 0.02 0.00 0.00 177.57 177.35 2jkt h ALA 407 N 1.58 -0.97 -0.97 1.67 0.00 -1.42 -1.49 119.26 117.65 2jkt h ALA 407 Ca 0.48 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.44 2jkt h ALA 407 Cb 1.50 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.52 2jkt h ALA 407 CO -0.12 -0.92 0.63 1.49 0.00 0.00 0.00 179.25 180.33 2jkt h GLU 408 N -0.97 0.43 -0.04 0.00 4.57 -0.76 0.51 114.58 118.32 2jkt h GLU 408 Ca -0.08 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 57.94 2jkt h GLU 408 Cb 0.61 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2jkt h GLU 408 CO 0.13 0.28 -0.60 0.52 -1.18 0.00 0.00 179.01 178.17 2jkt h MET 409 N 0.44 0.12 0.00 1.92 2.86 -0.80 -2.44 114.93 117.04 2jkt h MET 409 Ca 0.53 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 58.04 2jkt h MET 409 Cb 1.27 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 2jkt h MET 409 CO -0.24 0.68 -0.19 -0.07 1.06 0.00 0.00 176.91 178.15 2jkt h LEU 410 N 0.09 0.00 0.02 1.22 3.38 0.11 -2.22 115.31 117.92 2jkt h LEU 410 Ca -0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 2jkt h LEU 410 Cb 1.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 2jkt h LEU 410 CO 0.09 0.19 -1.56 0.77 0.09 0.00 0.00 178.44 178.02 2jkt h SER 411 N 0.00 0.05 0.56 -0.43 4.64 -1.29 -3.13 113.55 113.95 2jkt h SER 411 Ca -0.00 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 2jkt h SER 411 Cb 0.64 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2jkt h SER 411 CO 0.03 1.08 -0.18 0.22 -0.87 0.00 0.00 176.83 177.10 2jkt h TYR 412 N 0.01 0.00 -0.18 4.77 3.20 -1.26 -2.64 116.97 120.87 2jkt h TYR 412 Ca -0.23 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.42 2jkt h TYR 412 Cb 1.97 0.00 0.01 0.00 1.54 0.00 0.00 36.73 40.24 2jkt h TYR 412 CO 0.01 0.18 -0.74 1.25 -1.64 0.00 0.00 178.16 177.23 2jkt h LEU 413 N 0.00 0.96 -1.64 2.82 5.85 -1.48 -3.20 115.31 118.62 2jkt h LEU 413 Ca -0.00 -0.61 0.29 0.00 0.84 0.00 0.00 57.88 58.40 2jkt h LEU 413 Cb 0.51 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2jkt h LEU 413 CO 0.02 1.41 0.73 -0.33 -0.34 0.00 0.00 178.44 179.93 2jkt h GLU 414 N 0.58 0.21 -0.33 1.25 5.08 -1.41 -2.86 114.58 117.09 2jkt h GLU 414 Ca -0.04 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.04 2jkt h GLU 414 Cb 1.36 -0.05 -0.32 0.00 0.50 0.00 0.00 28.75 30.24 2jkt h GLU 414 CO 0.15 0.14 -0.89 0.25 -1.00 0.00 0.00 179.01 177.66 2jkt n THR 415 N -4.44 1.53 -4.14 1.13 -2.24 -1.24 -5.07 114.28 99.80 2jkt n THR 415 Ca 0.25 -2.92 -0.26 0.00 -2.27 0.00 0.00 64.05 58.85 2jkt n THR 415 Cb 1.01 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 2jkt n THR 415 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jkt s ALA 416 N -2.79 3.40 1.10 6.98 0.00 -1.08 -5.06 121.76 124.31 2jkt s ALA 416 Ca 0.37 -1.30 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 2jkt s ALA 416 Cb 0.37 -1.18 0.05 0.00 0.00 0.00 0.00 23.12 22.36 2jkt s ALA 416 CO -0.05 0.47 -0.29 -0.25 0.00 0.00 0.00 175.76 175.64 2jkt n ASP 417 N -0.31 -2.49 0.03 0.00 9.92 -1.26 -4.82 116.55 117.62 2jkt n ASP 417 Ca -0.09 -0.11 -0.05 0.00 -0.53 0.00 0.00 54.79 54.01 2jkt n ASP 417 Cb 0.55 -0.87 -0.10 0.00 -0.64 0.00 0.00 41.12 40.06 2jkt n ASP 417 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2jkt h TYR 418 N -1.88 0.00 0.00 1.24 -1.99 -1.99 -3.19 116.97 109.15 2jkt h TYR 418 Ca -0.51 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.22 2jkt h TYR 418 Cb 1.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.10 2jkt h TYR 418 CO 0.12 0.86 0.05 0.66 -0.00 0.00 0.00 178.16 179.85 2jkt h SER 419 N 0.00 0.00 0.12 3.88 4.64 -2.05 -2.67 113.55 117.47 2jkt h SER 419 Ca -0.15 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.81 2jkt h SER 419 Cb 1.79 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.82 2jkt h SER 419 CO 0.09 0.00 -2.22 -0.38 -0.87 0.00 0.00 176.83 173.44 2jkt n ILE 420 N -2.57 1.51 -0.13 0.95 2.08 -1.21 -4.51 119.36 115.48 2jkt n ILE 420 Ca -0.02 -0.75 -0.06 0.00 0.56 0.00 0.00 62.75 62.48 2jkt n ILE 420 Cb 0.09 -0.98 -0.05 0.00 -0.75 0.00 0.00 39.64 37.96 2jkt n ILE 420 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2jkt h ARG 421 N 0.01 -0.08 -0.34 0.38 2.47 -1.47 -0.62 114.38 114.73 2jkt h ARG 421 Ca -0.49 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.20 2jkt h ARG 421 Cb 2.09 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 30.41 2jkt h ARG 421 CO 0.02 -0.06 0.03 1.49 0.56 0.00 0.00 179.97 182.01 2jkt h GLU 422 N -0.09 0.52 0.00 0.04 4.81 -1.81 0.11 114.58 118.16 2jkt h GLU 422 Ca 0.05 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2jkt h GLU 422 Cb 0.23 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jkt h GLU 422 CO -0.35 0.52 0.00 1.05 -0.73 0.00 0.00 179.01 179.50 2jkt h GLU 423 N 0.50 0.00 0.15 1.92 4.11 -1.65 -2.91 114.58 116.71 2jkt h GLU 423 Ca 0.11 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.24 2jkt h GLU 423 Cb 0.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 2jkt h GLU 423 CO 0.01 0.00 -1.49 0.82 0.07 0.00 0.00 179.01 178.42 2jkt h ILE 424 N 0.00 1.06 -0.72 -1.06 2.04 0.03 -3.15 117.51 115.72 2jkt h ILE 424 Ca 0.00 -2.47 0.16 0.00 1.00 0.00 0.00 64.86 63.54 2jkt h ILE 424 Cb 0.74 2.80 -0.11 0.00 -0.74 0.00 0.00 36.82 39.51 2jkt h ILE 424 CO 0.00 0.77 0.13 0.58 0.00 0.00 0.00 178.15 179.63 2jkt h VAL 425 N -0.13 0.49 -0.03 1.67 2.07 -0.75 -0.29 116.25 119.28 2jkt h VAL 425 Ca -0.30 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 2jkt h VAL 425 Cb 1.90 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2jkt h VAL 425 CO 0.13 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 177.69 2jkt h LEU 426 N 0.22 0.05 -1.84 2.57 4.07 -1.65 0.15 115.31 118.88 2jkt h LEU 426 Ca 0.40 -0.26 0.05 0.00 0.08 0.00 0.00 57.88 58.15 2jkt h LEU 426 Cb 0.69 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 2jkt h LEU 426 CO -0.53 0.30 0.21 0.11 -1.08 0.00 0.00 178.44 177.45 2jkt h LYS 427 N -0.20 0.20 0.02 1.13 1.57 -1.34 0.28 116.57 118.23 2jkt h LYS 427 Ca 0.01 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2jkt h LYS 427 Cb 0.27 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.54 2jkt h LYS 427 CO 0.00 0.13 -0.29 0.28 -0.57 0.00 0.00 179.45 179.00 2jkt h VAL 428 N 0.20 1.60 -0.45 0.50 2.07 -0.87 -2.83 116.25 116.47 2jkt h VAL 428 Ca 0.13 -2.13 0.09 0.00 0.82 0.00 0.00 66.70 65.61 2jkt h VAL 428 Cb 0.28 2.98 -0.10 0.00 -1.52 0.00 0.00 31.29 32.93 2jkt h VAL 428 CO -0.02 0.58 -0.29 0.00 0.02 0.00 0.00 177.57 177.86 2jkt h ALA 429 N 0.17 -0.06 -0.04 1.67 0.00 -0.48 -1.67 119.26 118.85 2jkt h ALA 429 Ca -0.04 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2jkt h ALA 429 Cb 1.11 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 2jkt h ALA 429 CO 0.06 -0.66 -0.37 0.82 0.00 0.00 0.00 179.25 179.10 2jkt h ILE 430 N -0.19 0.22 0.00 0.00 5.03 -1.03 -1.35 117.51 120.18 2jkt h ILE 430 Ca 0.20 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.92 2jkt h ILE 430 Cb 0.52 0.22 -0.00 0.00 -3.03 0.00 0.00 36.82 34.53 2jkt h ILE 430 CO -0.56 0.00 -0.10 -0.07 -0.68 0.00 0.00 178.15 176.74 2jkt h LEU 431 N -0.50 0.00 0.09 1.44 3.38 -1.19 -1.43 115.31 117.10 2jkt h LEU 431 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jkt h LEU 431 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2jkt h LEU 431 CO -0.32 0.10 -0.04 0.00 0.09 0.00 0.00 178.44 178.27 2jkt h ALA 432 N 1.90 -0.12 0.00 1.53 0.00 -0.97 -1.92 119.26 119.69 2jkt h ALA 432 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jkt h ALA 432 Cb 0.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jkt h ALA 432 CO 0.01 -0.12 0.00 -0.85 0.00 0.00 0.00 179.25 178.29 2jkt n GLU 433 N -4.83 0.03 -0.08 0.00 0.28 -0.54 -1.30 120.64 114.21 2jkt n GLU 433 Ca -0.04 0.33 -0.10 0.00 -0.16 0.00 0.00 57.16 57.19 2jkt n GLU 433 Cb 0.15 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.43 2jkt n GLU 433 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2jkt n LYS 434 N -1.41 0.91 -0.11 3.44 4.81 -0.55 -4.67 118.16 120.60 2jkt n LYS 434 Ca 0.02 0.06 0.04 0.00 -0.87 0.00 0.00 58.31 57.56 2jkt n LYS 434 Cb 0.05 -1.34 0.10 0.00 0.02 0.00 0.00 35.03 33.86 2jkt n LYS 434 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jkt n TYR 435 N -2.82 0.28 -2.19 5.64 0.53 -0.72 -5.01 117.16 112.87 2jkt n TYR 435 Ca -0.27 -0.41 -0.41 0.00 -1.02 0.00 0.00 57.90 55.79 2jkt n TYR 435 Cb 0.86 -0.03 -0.03 0.00 -1.03 0.00 0.00 39.34 39.11 2jkt n TYR 435 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2jkt s ALA 436 N -0.94 3.52 -0.11 -0.72 0.00 -0.42 -4.67 121.76 118.43 2jkt s ALA 436 Ca 0.16 1.15 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 2jkt s ALA 436 Cb 0.08 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 2jkt s ALA 436 CO 0.11 -0.56 -0.20 1.33 0.00 0.00 0.00 175.76 176.45 2jkt n VAL 437 N 2.08 1.14 -2.60 0.00 0.24 -1.26 -4.91 118.33 113.01 2jkt n VAL 437 Ca 0.04 0.03 -0.43 0.00 -2.04 0.00 0.00 64.34 61.94 2jkt n VAL 437 Cb 0.42 -1.88 -0.02 0.00 -1.47 0.00 0.00 33.84 30.90 2jkt n VAL 437 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jkt s ASP 438 N -6.17 6.68 0.00 -1.34 -1.08 -1.26 -4.90 116.67 108.59 2jkt s ASP 438 Ca -0.19 0.56 0.30 0.00 -0.52 0.00 0.00 52.55 52.70 2jkt s ASP 438 Cb 0.05 -2.55 1.47 0.00 -1.46 0.00 0.00 42.92 40.43 2jkt s ASP 438 CO 0.26 -1.20 2.03 -1.22 0.52 0.00 0.00 175.17 175.56 2jkt n TYR 439 N 7.71 0.00 0.18 -5.34 4.02 -1.26 -1.56 117.16 120.92 2jkt n TYR 439 Ca 0.12 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.08 2jkt n TYR 439 Cb 0.49 -0.33 0.16 0.00 -0.02 0.00 0.00 39.34 39.64 2jkt n TYR 439 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2jkt h THR 440 N 0.00 0.50 0.11 -0.72 1.35 -1.90 -2.69 112.91 109.56 2jkt h THR 440 Ca 0.00 -1.60 -0.28 0.00 -0.55 0.00 0.00 66.41 63.98 2jkt h THR 440 Cb 0.32 2.16 0.02 0.00 -1.73 0.00 0.00 68.15 68.92 2jkt h THR 440 CO 0.00 0.27 -1.21 -0.25 -0.25 0.00 0.00 175.52 174.09 2jkt h TRP 441 N 0.00 0.84 0.30 4.73 7.01 -1.69 0.25 115.95 127.39 2jkt h TRP 441 Ca -0.00 -0.53 -0.01 0.00 2.11 0.00 0.00 58.89 60.45 2jkt h TRP 441 Cb 1.14 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.12 2jkt h TRP 441 CO 0.00 1.38 -0.28 -0.92 -2.79 0.00 0.00 178.44 175.84 2jkt h TYR 442 N 0.22 -0.77 -0.93 2.65 3.20 -1.53 0.61 116.97 120.42 2jkt h TYR 442 Ca -0.16 0.00 0.25 0.00 3.14 0.00 0.00 58.73 61.96 2jkt h TYR 442 Cb 1.88 0.29 -0.13 0.00 1.54 0.00 0.00 36.73 40.31 2jkt h TYR 442 CO 0.10 -0.38 0.43 0.28 -1.64 0.00 0.00 178.16 176.95 2jkt h VAL 443 N -0.57 0.41 0.53 1.81 2.07 -1.48 -0.23 116.25 118.79 2jkt h VAL 443 Ca -0.04 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2jkt h VAL 443 Cb 0.49 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2jkt h VAL 443 CO -0.02 0.07 -0.25 -0.78 0.02 0.00 0.00 177.57 176.60 2jkt h ASP 444 N 0.37 -0.60 -0.16 0.57 3.58 -0.12 -2.79 116.42 117.28 2jkt h ASP 444 Ca 0.61 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 58.03 2jkt h ASP 444 Cb 1.23 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.40 2jkt h ASP 444 CO -0.56 -0.28 -0.24 0.74 -2.88 0.00 0.00 179.24 176.02 2jkt h THR 445 N -0.94 0.00 -0.48 2.25 2.02 0.19 -2.76 112.91 113.19 2jkt h THR 445 Ca -0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.18 2jkt h THR 445 Cb 0.62 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.93 2jkt h THR 445 CO 0.12 0.00 -0.45 0.40 0.37 0.00 0.00 175.52 175.96 2jkt h ILE 446 N -0.19 0.09 0.00 3.11 1.08 -1.22 0.21 117.51 120.59 2jkt h ILE 446 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 2jkt h ILE 446 Cb 0.26 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2jkt h ILE 446 CO -0.25 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.21 2jkt n LEU 447 N -5.41 0.51 -0.08 1.44 -0.00 -1.05 -0.97 117.00 111.44 2jkt n LEU 447 Ca -0.00 -0.26 -0.15 0.00 -0.00 0.00 0.00 56.01 55.61 2jkt n LEU 447 Cb 0.35 -0.26 -0.09 0.00 -0.00 0.00 0.00 43.42 43.42 2jkt n LEU 447 CO 0.01 0.13 -0.17 0.78 -0.00 0.00 0.00 177.39 178.14 2jkt h ASN 448 N 0.15 0.00 -0.56 1.45 4.21 -0.31 -3.01 115.58 117.51 2jkt h ASN 448 Ca 0.00 -0.52 0.11 0.00 1.21 0.00 0.00 56.30 57.10 2jkt h ASN 448 Cb 0.26 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.37 2jkt h ASN 448 CO 0.00 1.13 0.08 -0.07 -1.29 0.00 0.00 177.43 177.28 2jkt h LEU 449 N -1.00 -0.08 -0.28 1.61 4.07 -1.03 0.16 115.31 118.76 2jkt h LEU 449 Ca -0.16 0.11 0.03 0.00 0.08 0.00 0.00 57.88 57.95 2jkt h LEU 449 Cb 0.95 0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.83 2jkt h LEU 449 CO -0.09 -0.02 0.09 0.40 -1.08 0.00 0.00 178.44 177.73 2jkt h ILE 450 N 0.21 0.91 0.00 1.22 2.04 -1.62 -2.05 117.51 118.22 2jkt h ILE 450 Ca 0.29 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2jkt h ILE 450 Cb 0.43 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2jkt h ILE 450 CO -0.40 0.04 0.00 -1.14 0.00 0.00 0.00 178.15 176.64 2jkt n ARG 451 N -5.04 0.00 -3.91 2.37 0.63 0.36 -2.82 116.66 108.24 2jkt n ARG 451 Ca -0.01 0.53 -0.30 0.00 -0.92 0.00 0.00 57.85 57.15 2jkt n ARG 451 Cb 0.10 -1.44 -0.14 0.00 0.45 0.00 0.00 32.46 31.43 2jkt n ARG 451 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2jkt s ILE 452 N -2.78 2.24 0.00 5.15 1.01 -0.13 -4.29 121.20 122.40 2jkt s ILE 452 Ca 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 60.65 57.71 2jkt s ILE 452 Cb 0.00 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2jkt s ILE 452 CO 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 174.94 174.16 2jkt n ALA 453 N 3.45 0.00 -0.14 9.38 0.00 -1.14 -4.74 120.51 127.31 2jkt n ALA 453 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.53 2jkt n ALA 453 Cb 0.35 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.13 2jkt n ALA 453 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jkt h GLY 454 N 0.00 0.88 0.97 0.00 0.00 -1.21 -2.63 103.07 101.09 2jkt h GLY 454 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2jkt h GLY 454 CO 0.00 0.28 0.44 -0.55 0.00 0.00 0.00 176.54 176.71 2jkt h ASP 455 N 0.79 0.00 -0.01 0.19 3.32 -1.87 -2.07 116.42 116.77 2jkt h ASP 455 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2jkt h ASP 455 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2jkt h ASP 455 CO -0.07 0.00 -0.14 -1.22 -1.72 0.00 0.00 179.24 176.09 2jkt n TYR 456 N -2.35 0.00 -2.62 4.55 4.02 -0.99 -4.91 117.16 114.86 2jkt n TYR 456 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 2jkt n TYR 456 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.77 2jkt n TYR 456 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jkt s VAL 457 N -1.17 4.48 1.18 -0.72 0.11 -0.78 -4.69 120.40 118.81 2jkt s VAL 457 Ca 0.09 1.70 -0.19 0.00 -2.93 0.00 0.00 61.98 60.65 2jkt s VAL 457 Cb 0.08 -4.39 0.28 0.00 -1.53 0.00 0.00 36.38 30.81 2jkt s VAL 457 CO 0.20 -0.48 1.14 -0.94 -3.33 0.00 0.00 175.10 171.70 2jkt s SER 458 N 1.75 1.13 0.07 3.54 1.04 -1.26 -4.91 113.70 115.06 2jkt s SER 458 Ca 0.46 0.56 -0.20 0.00 0.48 0.00 0.00 55.95 57.25 2jkt s SER 458 Cb -0.13 -0.76 -0.11 0.00 0.10 0.00 0.00 66.02 65.13 2jkt s SER 458 CO 0.16 -3.98 1.52 -0.33 0.98 0.00 0.00 173.24 171.59 2jkt h GLU 459 N -2.49 0.31 -0.86 4.02 4.39 -2.00 -3.06 114.58 114.90 2jkt h GLU 459 Ca -0.44 -0.09 0.18 0.00 0.34 0.00 0.00 59.36 59.35 2jkt h GLU 459 Cb 1.28 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.79 2jkt h GLU 459 CO 0.34 0.50 0.39 0.93 -1.16 0.00 0.00 179.01 180.00 2jkt h GLU 460 N 0.09 0.46 -0.53 2.33 3.07 -1.99 0.00 114.58 118.01 2jkt h GLU 460 Ca 0.05 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.83 2jkt h GLU 460 Cb 0.34 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 2jkt h GLU 460 CO 0.01 0.31 0.10 0.28 -1.40 0.00 0.00 179.01 178.30 2jkt h VAL 461 N 0.48 1.25 0.00 3.13 2.07 -1.90 -2.34 116.25 118.94 2jkt h VAL 461 Ca 0.50 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2jkt h VAL 461 Cb 0.85 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2jkt h VAL 461 CO -0.46 0.34 -1.04 4.11 0.02 0.00 0.00 177.57 180.54 2jkt h TRP 462 N 0.76 0.00 -0.25 1.57 5.08 -1.31 -3.11 115.95 118.69 2jkt h TRP 462 Ca 0.16 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.15 2jkt h TRP 462 Cb 0.39 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.53 2jkt h TRP 462 CO 0.03 0.12 0.13 1.88 -1.28 0.00 0.00 178.44 179.32 2jkt h TYR 463 N 0.00 0.25 0.00 0.12 0.99 -1.00 -3.17 116.97 114.16 2jkt h TYR 463 Ca -0.03 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 2jkt h TYR 463 Cb 1.12 -0.08 -0.00 0.00 1.00 0.00 0.00 36.73 38.77 2jkt h TYR 463 CO 0.00 0.14 -0.16 -0.09 -0.00 0.00 0.00 178.16 178.05 2jkt h ARG 464 N 0.28 0.00 -0.02 4.88 9.65 -1.35 0.63 114.38 128.45 2jkt h ARG 464 Ca 0.10 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.88 2jkt h ARG 464 Cb 0.01 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.60 2jkt h ARG 464 CO -0.06 0.16 -0.38 -0.39 2.80 0.00 0.00 179.97 182.11 2jkt h VAL 465 N 0.00 1.48 -0.22 0.20 -1.51 -1.59 0.14 116.25 114.74 2jkt h VAL 465 Ca -0.00 -1.92 0.04 0.00 -1.23 0.00 0.00 66.70 63.59 2jkt h VAL 465 Cb 0.61 2.59 -0.04 0.00 -2.13 0.00 0.00 31.29 32.33 2jkt h VAL 465 CO 0.02 0.54 -0.02 0.40 -1.23 0.00 0.00 177.57 177.29 2jkt h ILE 466 N -0.28 0.82 -0.31 7.19 2.04 -1.35 0.61 117.51 126.24 2jkt h ILE 466 Ca -0.04 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.84 2jkt h ILE 466 Cb 1.09 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 2jkt h ILE 466 CO 0.08 0.01 -0.42 -0.61 0.00 0.00 0.00 178.15 177.20 2jkt h GLN 467 N 0.05 -0.29 -0.53 2.37 4.15 0.24 -2.09 115.11 119.02 2jkt h GLN 467 Ca 0.11 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 2jkt h GLN 467 Cb 0.14 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 2jkt h GLN 467 CO -0.19 -0.19 0.29 0.82 -1.93 0.00 0.00 178.83 177.63 2jkt h ILE 468 N -0.30 1.16 0.00 2.39 2.04 0.16 -1.75 117.51 121.20 2jkt h ILE 468 Ca 0.05 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 2jkt h ILE 468 Cb 0.45 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2jkt h ILE 468 CO -0.45 0.17 -0.30 0.58 0.00 0.00 0.00 178.15 178.15 2jkt h VAL 469 N 0.73 0.80 -0.07 1.67 2.07 0.46 -2.16 116.25 119.75 2jkt h VAL 469 Ca 0.19 -1.25 -0.20 0.00 0.82 0.00 0.00 66.70 66.26 2jkt h VAL 469 Cb 0.01 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2jkt h VAL 469 CO -0.03 0.30 -0.80 0.40 0.02 0.00 0.00 177.57 177.45 2jkt h ILE 470 N 0.00 1.36 0.17 4.57 2.04 -0.62 -3.37 117.51 121.66 2jkt h ILE 470 Ca -0.00 -2.19 -0.01 0.00 1.00 0.00 0.00 64.86 63.66 2jkt h ILE 470 Cb 0.75 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2jkt h ILE 470 CO 0.04 0.66 -0.08 0.78 0.00 0.00 0.00 178.15 179.55 2jkt h ASN 471 N 0.31 -0.19 -3.02 1.72 2.35 -1.41 -3.44 115.58 111.89 2jkt h ASN 471 Ca -0.05 0.01 -0.53 0.00 -0.55 0.00 0.00 56.30 55.18 2jkt h ASN 471 Cb 1.40 0.05 0.03 0.00 0.05 0.00 0.00 38.32 39.86 2jkt h ASN 471 CO 0.14 0.15 0.77 -0.13 -1.65 0.00 0.00 177.43 176.71 2jkt s ARG 472 N -2.26 4.29 -0.14 0.81 1.81 -0.83 -4.92 118.95 117.71 2jkt s ARG 472 Ca -0.03 2.18 0.09 0.00 -1.72 0.00 0.00 55.73 56.25 2jkt s ARG 472 Cb 0.00 -3.20 -0.23 0.00 -0.45 0.00 0.00 34.95 31.07 2jkt s ARG 472 CO 0.10 -0.47 0.27 -3.47 -0.68 0.00 0.00 175.30 171.06 2jkt n ASP 473 N 3.66 1.00 0.00 0.23 4.64 -1.26 -4.35 116.55 120.47 2jkt n ASP 473 Ca 0.11 0.16 0.00 0.00 -1.38 0.00 0.00 54.79 53.68 2jkt n ASP 473 Cb 0.41 0.08 0.00 0.00 -1.04 0.00 0.00 41.12 40.57 2jkt n ASP 473 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 2jkt n ASP 474 N -3.06 0.00 0.00 1.67 5.75 -1.26 -0.98 116.55 118.66 2jkt n ASP 474 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.49 2jkt n ASP 474 Cb 1.08 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.17 2jkt n ASP 474 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2jkt n VAL 475 N -0.62 0.00 0.28 2.12 0.24 -1.26 -4.77 118.33 114.32 2jkt n VAL 475 Ca 0.00 -0.16 0.14 0.00 -2.04 0.00 0.00 64.34 62.28 2jkt n VAL 475 Cb 0.00 1.25 0.80 0.00 -1.47 0.00 0.00 33.84 34.42 2jkt n VAL 475 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2jkt h GLN 476 N 0.00 0.00 0.12 7.34 4.20 -1.26 0.71 115.11 126.22 2jkt h GLN 476 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2jkt h GLN 476 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2jkt h GLN 476 CO 0.00 0.08 -0.06 0.78 -0.67 0.00 0.00 178.83 178.97 2jkt h GLY 477 N 0.71 -0.17 -0.23 3.46 0.00 -1.87 -2.85 103.07 102.13 2jkt h GLY 477 Ca -0.00 0.06 0.21 0.00 0.00 0.00 0.00 47.33 47.61 2jkt h GLY 477 CO 0.01 -0.06 0.33 -1.82 0.00 0.00 0.00 176.54 175.00 2jkt h TYR 478 N -0.74 0.53 0.01 5.60 3.20 -1.80 0.19 116.97 123.96 2jkt h TYR 478 Ca -0.02 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2jkt h TYR 478 Cb 0.12 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2jkt h TYR 478 CO 0.01 -0.09 -0.03 0.00 -1.64 0.00 0.00 178.16 176.41 2jkt h ALA 479 N 1.71 -0.04 -0.65 1.82 0.00 0.31 0.15 119.26 122.57 2jkt h ALA 479 Ca 0.54 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.48 2jkt h ALA 479 Cb 1.02 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2jkt h ALA 479 CO -0.55 -0.53 0.43 0.00 0.00 0.00 0.00 179.25 178.59 2jkt h ALA 480 N 0.93 1.66 0.26 0.00 0.00 -0.44 -0.32 119.26 121.35 2jkt h ALA 480 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jkt h ALA 480 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jkt h ALA 480 CO -0.03 0.27 -0.13 -0.22 0.00 0.00 0.00 179.25 179.14 2jkt h LYS 481 N 0.75 -0.34 -0.51 0.00 3.64 -0.87 -3.01 116.57 116.23 2jkt h LYS 481 Ca 0.26 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 2jkt h LYS 481 Cb 0.10 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 2jkt h LYS 481 CO -0.07 -0.02 0.22 1.15 -2.27 0.00 0.00 179.45 178.46 2jkt h THR 482 N -0.96 0.90 0.00 1.00 2.02 -0.39 0.30 112.91 115.77 2jkt h THR 482 Ca -0.04 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2jkt h THR 482 Cb 0.48 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2jkt h THR 482 CO 0.06 0.08 -0.10 0.58 0.37 0.00 0.00 175.52 176.51 2jkt h VAL 483 N 0.44 1.06 0.00 3.16 2.07 -1.20 -1.97 116.25 119.81 2jkt h VAL 483 Ca 0.23 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 2jkt h VAL 483 Cb 0.20 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2jkt h VAL 483 CO -0.20 0.10 -0.46 0.15 0.02 0.00 0.00 177.57 177.18 2jkt h PHE 484 N 0.00 0.00 0.13 1.57 3.57 -0.81 -2.50 116.94 118.89 2jkt h PHE 484 Ca -0.00 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.17 2jkt h PHE 484 Cb 0.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2jkt h PHE 484 CO 0.00 0.46 -1.69 0.93 -2.23 0.00 0.00 178.31 175.78 2jkt h GLU 485 N 0.00 0.27 -0.37 1.11 5.08 -0.90 -3.34 114.58 116.42 2jkt h GLU 485 Ca -0.00 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 2jkt h GLU 485 Cb 1.10 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2jkt h GLU 485 CO 0.06 1.13 -0.19 0.00 -1.00 0.00 0.00 179.01 179.01 2jkt h ALA 486 N 0.37 0.98 0.00 3.43 0.00 -1.44 -2.43 119.26 120.16 2jkt h ALA 486 Ca -0.31 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2jkt h ALA 486 Cb 2.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2jkt h ALA 486 CO 0.15 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.28 2jkt n LEU 487 N -4.13 0.00 0.03 0.00 4.77 -0.94 -2.60 117.00 114.12 2jkt n LEU 487 Ca 0.00 0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 2jkt n LEU 487 Cb 0.40 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.30 2jkt n LEU 487 CO 0.43 -0.05 -0.15 1.56 -1.33 0.00 0.00 177.39 177.86 2jkt h GLN 488 N 0.00 0.00 -7.20 3.23 1.08 -1.56 -3.46 115.11 107.20 2jkt h GLN 488 Ca 0.00 -0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.66 2jkt h GLN 488 Cb 0.00 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 27.60 2jkt h GLN 488 CO 0.00 0.79 0.36 0.00 -0.95 0.00 0.00 178.83 179.03 2jkt s ALA 489 N -2.66 2.01 0.01 3.87 0.00 -1.07 -4.96 121.76 118.96 2jkt s ALA 489 Ca -0.01 0.82 0.09 0.00 0.00 0.00 0.00 51.96 52.86 2jkt s ALA 489 Cb 0.09 -3.46 -0.23 0.00 0.00 0.00 0.00 23.12 19.52 2jkt s ALA 489 CO 0.82 -2.04 0.87 -1.00 0.00 0.00 0.00 175.76 174.41 2jkt h PRO 490 N -0.60 0.03 0.00 0.00 0.14 -1.91 -3.40 132.00 126.26 2jkt h PRO 490 Ca -0.47 -0.05 0.00 0.00 0.14 0.00 0.00 66.00 65.62 2jkt h PRO 490 Cb 1.29 0.02 0.00 0.00 0.14 0.00 0.00 31.00 32.45 2jkt h PRO 490 CO 0.48 0.73 0.00 0.00 0.14 0.00 0.00 178.00 179.35 2jkt n ALA 491 N -2.51 -0.01 -1.63 -0.56 0.00 -1.26 -5.06 120.51 109.48 2jkt n ALA 491 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2jkt n ALA 491 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 2jkt n ALA 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkt n HIS 493 N 1.70 -1.28 0.26 0.00 -0.00 -1.26 -4.80 115.22 109.84 2jkt n HIS 493 Ca 0.00 0.26 0.10 0.00 0.46 0.00 0.00 57.72 58.54 2jkt n HIS 493 Cb 0.00 -1.82 0.68 0.00 -0.12 0.00 0.00 29.99 28.74 2jkt n HIS 493 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 2jkt h GLU 494 N -1.33 0.00 0.00 1.57 4.81 -1.94 -1.86 114.58 115.83 2jkt h GLU 494 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2jkt h GLU 494 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2jkt h GLU 494 CO 0.36 0.11 0.00 -0.91 -0.73 0.00 0.00 179.01 177.84 2jkt h ASN 495 N 0.00 0.00 0.01 1.04 2.35 -1.91 -2.12 115.58 114.95 2jkt h ASN 495 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jkt h ASN 495 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2jkt h ASN 495 CO 0.01 0.00 -0.01 0.25 -1.65 0.00 0.00 177.43 176.04 2jkt h LEU 496 N 0.00 -0.02 -1.99 1.61 5.85 -1.64 -2.91 115.31 116.21 2jkt h LEU 496 Ca 0.00 -0.78 0.18 0.00 0.84 0.00 0.00 57.88 58.12 2jkt h LEU 496 Cb 0.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2jkt h LEU 496 CO 0.00 0.81 0.48 0.58 -0.34 0.00 0.00 178.44 179.97 2jkt h VAL 497 N -0.88 0.57 0.28 1.05 2.07 -1.47 0.50 116.25 118.37 2jkt h VAL 497 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2jkt h VAL 497 Cb 0.79 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2jkt h VAL 497 CO 0.00 0.00 -0.14 0.11 0.02 0.00 0.00 177.57 177.57 2jkt h LYS 498 N 0.00 -0.36 -0.58 1.57 1.57 -1.49 -2.09 116.57 115.18 2jkt h LYS 498 Ca 0.29 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.20 2jkt h LYS 498 Cb 1.25 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 2jkt h LYS 498 CO -0.00 -0.24 0.39 0.28 -0.57 0.00 0.00 179.45 179.31 2jkt h VAL 499 N -0.73 0.86 0.03 0.50 2.07 -1.15 -2.78 116.25 115.06 2jkt h VAL 499 Ca -0.04 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2jkt h VAL 499 Cb 0.29 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2jkt h VAL 499 CO 0.06 0.06 -0.01 1.23 0.02 0.00 0.00 177.57 178.93 2jkt h GLY 500 N 0.33 -0.04 1.31 2.17 0.00 -0.11 -2.44 103.07 104.29 2jkt h GLY 500 Ca 0.27 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.64 2jkt h GLY 500 CO -0.07 -0.02 0.41 -1.33 0.00 0.00 0.00 176.54 175.54 2jkt h GLY 501 N -0.76 0.85 0.51 4.60 0.00 -1.21 -0.67 103.07 106.39 2jkt h GLY 501 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2jkt h GLY 501 CO 0.01 0.27 -0.03 -1.82 0.00 0.00 0.00 176.54 174.97 2jkt h TYR 502 N 0.77 0.06 -0.04 5.60 3.20 -1.56 -2.31 116.97 122.69 2jkt h TYR 502 Ca 0.24 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2jkt h TYR 502 Cb 0.02 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 2jkt h TYR 502 CO -0.00 0.56 -0.01 0.82 -1.64 0.00 0.00 178.16 177.89 2jkt h ILE 503 N -0.45 1.04 0.00 1.81 2.04 -1.04 0.27 117.51 121.18 2jkt h ILE 503 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2jkt h ILE 503 Cb 0.55 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2jkt h ILE 503 CO 0.01 0.05 -0.37 0.18 0.00 0.00 0.00 178.15 178.02 2jkt n LEU 504 N -4.48 0.39 0.06 1.44 4.77 -0.29 -2.29 117.00 116.59 2jkt n LEU 504 Ca -0.02 0.16 -0.22 0.00 -0.03 0.00 0.00 56.01 55.90 2jkt n LEU 504 Cb 0.12 -0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 40.75 2jkt n LEU 504 CO 0.35 0.07 -0.27 1.23 -1.33 0.00 0.00 177.39 177.45 2jkt h GLY 505 N 4.96 0.39 0.14 -0.72 0.00 -0.38 -3.40 103.07 104.05 2jkt h GLY 505 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.32 2jkt h GLY 505 CO 0.00 0.88 -0.07 0.83 0.00 0.00 0.00 176.54 178.18 2jkt h GLU 506 N -0.18 -0.18 0.00 4.80 4.39 -1.43 -3.45 114.58 118.53 2jkt h GLU 506 Ca -0.25 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2jkt h GLU 506 Cb 1.86 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 2jkt h GLU 506 CO 0.15 -0.12 0.00 1.19 -1.16 0.00 0.00 179.01 179.07 2jkt n PHE 507 N -4.56 0.00 0.00 4.33 3.01 -0.97 -4.68 117.46 114.59 2jkt n PHE 507 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2jkt n PHE 507 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 2jkt n PHE 507 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jkt n GLY 508 N 5.00 3.01 0.21 1.37 0.00 -1.25 -4.26 105.19 109.27 2jkt n GLY 508 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2jkt n GLY 508 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jkt h ASN 509 N 0.00 0.00 -0.84 1.61 7.08 -1.83 -2.77 115.58 118.82 2jkt h ASN 509 Ca 0.00 0.00 -0.41 0.00 -3.08 0.00 0.00 56.30 52.81 2jkt h ASN 509 Cb 0.00 0.00 -0.24 0.00 -2.08 0.00 0.00 38.32 36.00 2jkt h ASN 509 CO 0.00 0.00 0.52 0.00 -2.08 0.00 0.00 177.43 175.87 2jkt n LEU 510 N -2.58 6.20 0.00 6.14 -0.00 -1.26 -3.51 117.00 121.99 2jkt n LEU 510 Ca 0.00 -3.29 0.00 0.00 -0.00 0.00 0.00 56.01 52.72 2jkt n LEU 510 Cb 0.18 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 42.82 2jkt n LEU 510 CO 0.19 0.94 0.02 0.00 -0.00 0.00 0.00 177.39 178.54 2jkt n ILE 511 N -0.80 0.00 1.63 1.47 3.06 -1.08 -4.86 119.36 118.79 2jkt n ILE 511 Ca 0.50 0.00 0.05 0.00 -2.50 0.00 0.00 62.75 60.80 2jkt n ILE 511 Cb 1.49 0.58 0.22 0.00 0.54 0.00 0.00 39.64 42.48 2jkt n ILE 511 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2jkt n ALA 512 N 0.00 2.52 -0.26 1.51 0.00 -1.07 -3.96 120.51 119.25 2jkt n ALA 512 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2jkt n ALA 512 Cb 0.30 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2jkt n ALA 512 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jkt n GLY 513 N 0.79 -0.51 3.59 0.00 0.00 -1.26 -4.37 105.19 103.43 2jkt n GLY 513 Ca 0.08 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.57 2jkt n GLY 513 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jkt n ASP 514 N -1.61 1.47 0.05 1.61 2.03 -1.25 -4.86 116.55 113.98 2jkt n ASP 514 Ca 0.00 1.12 0.13 0.00 0.52 0.00 0.00 54.79 56.56 2jkt n ASP 514 Cb 0.00 -1.14 0.49 0.00 -0.72 0.00 0.00 41.12 39.75 2jkt n ASP 514 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2jkt n PRO 515 N 2.62 0.12 -0.35 -0.67 -0.02 -1.26 -2.45 135.00 132.99 2jkt n PRO 515 Ca 0.19 0.15 0.33 0.00 -2.02 0.00 0.00 63.50 62.15 2jkt n PRO 515 Cb 0.17 -1.65 0.60 0.00 -0.02 0.00 0.00 33.50 32.60 2jkt n PRO 515 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jkt h ARG 516 N 0.00 0.02 -1.73 -0.52 2.47 -1.92 -2.65 114.38 110.04 2jkt h ARG 516 Ca 0.00 -0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.26 2jkt h ARG 516 Cb 0.55 -0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 28.46 2jkt h ARG 516 CO 0.00 0.01 -1.12 -1.13 0.56 0.00 0.00 179.97 178.29 2jkt n SER 517 N -5.16 1.55 -4.45 7.04 3.41 -1.03 -4.99 113.62 110.01 2jkt n SER 517 Ca 0.38 -3.03 -0.32 0.00 -0.26 0.00 0.00 58.87 55.64 2jkt n SER 517 Cb 1.32 -0.58 0.15 0.00 -0.26 0.00 0.00 64.21 64.85 2jkt n SER 517 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jkt n SER 518 N 0.10 -1.61 -0.15 4.04 2.88 -1.00 -3.98 113.62 113.90 2jkt n SER 518 Ca 0.22 0.22 0.03 0.00 -1.33 0.00 0.00 58.87 58.01 2jkt n SER 518 Cb 0.68 -1.22 0.33 0.00 -0.75 0.00 0.00 64.21 63.24 2jkt n SER 518 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2jkt h PRO 519 N -1.83 0.79 0.01 -1.46 0.13 -1.92 -1.73 132.00 125.99 2jkt h PRO 519 Ca -0.47 -0.05 -0.20 0.00 -0.87 0.00 0.00 66.00 64.41 2jkt h PRO 519 Cb 1.30 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2jkt h PRO 519 CO 0.38 0.52 -0.93 1.25 -0.23 0.00 0.00 178.00 178.99 2jkt h LEU 520 N 0.81 0.09 -0.98 1.56 5.85 -1.97 -3.02 115.31 117.65 2jkt h LEU 520 Ca 0.26 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 2jkt h LEU 520 Cb 0.02 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2jkt h LEU 520 CO -0.07 0.97 -0.26 0.40 -0.34 0.00 0.00 178.44 179.14 2jkt h ILE 521 N 0.03 1.26 -0.04 4.05 1.08 -1.80 -2.54 117.51 119.55 2jkt h ILE 521 Ca -0.03 -1.26 -0.04 0.00 -0.39 0.00 0.00 64.86 63.14 2jkt h ILE 521 Cb 1.62 1.39 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 2jkt h ILE 521 CO 0.13 0.40 -0.13 1.56 -0.69 0.00 0.00 178.15 179.42 2jkt h GLN 522 N 0.37 0.15 -0.87 2.37 4.20 -1.35 -2.51 115.11 117.48 2jkt h GLN 522 Ca 0.05 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.67 2jkt h GLN 522 Cb 0.66 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 2jkt h GLN 522 CO 0.05 0.75 0.58 0.35 -0.67 0.00 0.00 178.83 179.88 2jkt h PHE 523 N -0.41 1.08 -0.13 2.96 3.57 -1.55 0.16 116.94 122.62 2jkt h PHE 523 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2jkt h PHE 523 Cb 0.76 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2jkt h PHE 523 CO 0.14 0.66 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.84 2jkt h ASN 524 N 1.15 0.19 0.01 0.41 2.35 -1.46 -0.76 115.58 117.47 2jkt h ASN 524 Ca 0.33 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2jkt h ASN 524 Cb -0.07 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2jkt h ASN 524 CO -0.08 0.34 -0.01 0.25 -1.65 0.00 0.00 177.43 176.28 2jkt h LEU 525 N 0.19 -0.02 -0.89 1.61 5.85 -0.57 -2.79 115.31 118.69 2jkt h LEU 525 Ca 0.04 -0.60 -0.07 0.00 0.84 0.00 0.00 57.88 58.09 2jkt h LEU 525 Cb 0.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2jkt h LEU 525 CO 0.02 0.60 0.02 -0.07 -0.34 0.00 0.00 178.44 178.67 2jkt h LEU 526 N -0.64 0.81 -1.04 2.25 3.38 -1.08 -3.09 115.31 115.90 2jkt h LEU 526 Ca -0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2jkt h LEU 526 Cb 0.61 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jkt h LEU 526 CO 0.00 0.86 -0.00 -0.74 0.09 0.00 0.00 178.44 178.65 2jkt h HIS 527 N 0.79 0.00 -0.04 1.13 2.76 -1.15 -1.56 115.15 117.08 2jkt h HIS 527 Ca 0.16 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.17 2jkt h HIS 527 Cb 0.44 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 2jkt h HIS 527 CO 0.02 0.00 -0.68 0.66 -1.30 0.00 0.00 177.93 176.64 2jkt h SER 528 N 0.00 0.23 0.97 3.26 4.64 -1.40 -2.98 113.55 118.27 2jkt h SER 528 Ca -0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2jkt h SER 528 Cb 0.66 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2jkt h SER 528 CO 0.00 0.84 -0.10 0.29 -0.87 0.00 0.00 176.83 176.99 2jkt n LYS 529 N -3.80 0.04 0.03 4.77 5.02 -0.66 -4.21 118.16 119.35 2jkt n LYS 529 Ca -0.02 0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 2jkt n LYS 529 Cb 0.67 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 34.13 2jkt n LYS 529 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2jkt h PHE 530 N 0.00 -0.06 0.00 2.13 3.57 -1.19 -3.31 116.94 118.08 2jkt h PHE 530 Ca 0.00 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 2jkt h PHE 530 Cb 0.54 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2jkt h PHE 530 CO 0.00 -0.04 1.39 0.72 -2.23 0.00 0.00 178.31 178.15 2jkt n HIS 531 N -2.22 0.51 0.00 0.41 8.25 -1.26 -0.91 115.22 120.00 2jkt n HIS 531 Ca -0.01 -1.04 0.00 0.00 -0.26 0.00 0.00 57.72 56.41 2jkt n HIS 531 Cb 0.03 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.09 2jkt n HIS 531 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2jkt n LEU 532 N 4.07 0.00 -4.61 2.41 -0.00 -1.25 -5.13 117.00 112.49 2jkt n LEU 532 Ca 0.21 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.94 2jkt n LEU 532 Cb 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.46 2jkt n LEU 532 CO 0.49 0.00 -0.38 0.00 -0.00 0.00 0.00 177.39 177.50 2jkt n SER 534 N 0.18 -2.68 0.06 0.00 3.41 -1.26 -4.62 113.62 108.71 2jkt n SER 534 Ca -0.11 0.32 -0.11 0.00 -0.26 0.00 0.00 58.87 58.71 2jkt n SER 534 Cb 0.54 -1.13 -0.05 0.00 -0.26 0.00 0.00 64.21 63.31 2jkt n SER 534 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2jkt h VAL 535 N -1.39 0.47 -0.26 -3.33 2.07 -1.98 -1.44 116.25 110.39 2jkt h VAL 535 Ca -0.44 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.16 2jkt h VAL 535 Cb 1.29 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2jkt h VAL 535 CO 0.33 0.00 0.51 -0.65 0.02 0.00 0.00 177.57 177.78 2jkt h PRO 536 N -0.36 0.00 0.00 1.57 0.11 -1.99 1.50 132.00 132.82 2jkt h PRO 536 Ca 0.06 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.90 2jkt h PRO 536 Cb 0.44 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.50 2jkt h PRO 536 CO -0.20 0.00 -1.62 1.15 -0.21 0.00 0.00 178.00 177.12 2jkt h THR 537 N 0.00 0.87 0.01 -1.15 2.02 -1.72 -3.00 112.91 109.95 2jkt h THR 537 Ca 0.12 -2.68 -0.19 0.00 0.77 0.00 0.00 66.41 64.43 2jkt h THR 537 Cb 1.15 2.41 -0.02 0.00 -1.74 0.00 0.00 68.15 69.96 2jkt h THR 537 CO -0.00 0.50 -0.89 0.03 0.37 0.00 0.00 175.52 175.52 2jkt h ARG 538 N 0.00 0.11 -0.35 6.66 3.08 0.30 -0.99 114.38 123.19 2jkt h ARG 538 Ca -0.25 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.52 2jkt h ARG 538 Cb 1.95 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 32.04 2jkt h ARG 538 CO 0.08 0.93 -0.36 0.00 -1.07 0.00 0.00 179.97 179.54 2jkt h ALA 539 N 1.02 0.51 -0.45 0.04 0.00 -0.69 -1.37 119.26 118.32 2jkt h ALA 539 Ca -0.03 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2jkt h ALA 539 Cb 1.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2jkt h ALA 539 CO 0.13 0.60 0.13 1.25 0.00 0.00 0.00 179.25 181.35 2jkt h LEU 540 N 0.65 0.61 -0.44 0.00 5.85 -1.44 -1.99 115.31 118.54 2jkt h LEU 540 Ca 0.05 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 2jkt h LEU 540 Cb 0.95 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2jkt h LEU 540 CO 0.09 0.59 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.61 2jkt h LEU 541 N 0.65 0.86 -0.32 2.25 4.07 -1.00 -2.86 115.31 118.96 2jkt h LEU 541 Ca 0.15 -0.36 0.02 0.00 0.08 0.00 0.00 57.88 57.77 2jkt h LEU 541 Cb 0.22 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 2jkt h LEU 541 CO -0.01 1.02 0.17 -0.07 -1.08 0.00 0.00 178.44 178.48 2jkt h LEU 542 N 0.69 0.27 -0.87 1.67 3.38 -0.56 0.34 115.31 120.24 2jkt h LEU 542 Ca 0.11 0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.30 2jkt h LEU 542 Cb 0.65 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.23 2jkt h LEU 542 CO 0.04 0.20 0.36 0.28 0.09 0.00 0.00 178.44 179.42 2jkt h SER 543 N 0.36 0.29 -0.40 -0.43 0.02 -1.40 -2.03 113.55 109.96 2jkt h SER 543 Ca 0.13 0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 61.10 2jkt h SER 543 Cb 0.02 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2jkt h SER 543 CO -0.07 0.00 -0.24 0.74 -1.14 0.00 0.00 176.83 176.12 2jkt h THR 544 N 0.39 1.28 -0.94 -2.27 2.02 -0.74 -2.83 112.91 109.83 2jkt h THR 544 Ca 0.54 -1.40 0.15 0.00 0.77 0.00 0.00 66.41 66.47 2jkt h THR 544 Cb 0.99 1.31 -0.08 0.00 -1.74 0.00 0.00 68.15 68.63 2jkt h THR 544 CO -0.52 0.47 0.60 1.88 0.37 0.00 0.00 175.52 178.31 2jkt h TYR 545 N 0.68 0.91 0.06 3.16 0.99 0.31 -2.85 116.97 120.23 2jkt h TYR 545 Ca 0.08 0.03 -0.26 0.00 2.00 0.00 0.00 58.73 60.57 2jkt h TYR 545 Cb 0.82 -0.28 -0.02 0.00 1.00 0.00 0.00 36.73 38.24 2jkt h TYR 545 CO 0.06 0.31 -1.33 0.97 -0.00 0.00 0.00 178.16 178.17 2jkt h ILE 546 N 0.75 1.35 -0.07 -2.88 6.09 -1.39 -2.85 117.51 118.51 2jkt h ILE 546 Ca 0.48 -3.04 0.02 0.00 -1.37 0.00 0.00 64.86 60.95 2jkt h ILE 546 Cb 0.73 2.76 -0.00 0.00 0.47 0.00 0.00 36.82 40.78 2jkt h ILE 546 CO -0.24 0.83 0.07 0.11 -3.07 0.00 0.00 178.15 175.84 2jkt h LYS 547 N 0.03 0.00 0.02 2.19 1.57 -1.28 -2.49 116.57 116.61 2jkt h LYS 547 Ca -0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2jkt h LYS 547 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.23 2jkt h LYS 547 CO 0.14 0.00 -0.01 0.74 -0.57 0.00 0.00 179.45 179.75 2jkt h PHE 548 N 0.00 -0.03 -1.29 -1.35 -1.00 -1.30 -2.25 116.94 109.72 2jkt h PHE 548 Ca 0.03 -0.00 0.37 0.00 2.81 0.00 0.00 57.97 61.19 2jkt h PHE 548 Cb 0.17 0.01 -0.07 0.00 3.61 0.00 0.00 35.95 39.67 2jkt h PHE 548 CO 0.00 0.58 0.90 0.28 -1.61 0.00 0.00 178.31 178.46 2jkt h VAL 549 N -0.66 0.33 0.19 -0.55 2.07 -1.24 0.46 116.25 116.84 2jkt h VAL 549 Ca -0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2jkt h VAL 549 Cb 0.62 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2jkt h VAL 549 CO 0.00 0.02 -0.09 -1.13 0.02 0.00 0.00 177.57 176.39 2jkt h ASN 550 N 0.10 -0.22 -0.30 0.57 -0.00 -1.32 -3.38 115.58 111.03 2jkt h ASN 550 Ca 0.66 -0.30 -0.14 0.00 -0.00 0.00 0.00 56.30 56.53 2jkt h ASN 550 Cb 2.37 0.06 -0.00 0.00 -0.00 0.00 0.00 38.32 40.75 2jkt h ASN 550 CO -0.13 0.32 -0.36 -0.07 -0.00 0.00 0.00 177.43 177.19 2jkt h LEU 551 N -0.90 0.83 -7.02 0.34 4.07 -0.44 -3.40 115.31 108.79 2jkt h LEU 551 Ca -0.03 -0.49 -0.62 0.00 0.08 0.00 0.00 57.88 56.82 2jkt h LEU 551 Cb 0.50 -0.24 -0.41 0.00 1.08 0.00 0.00 40.66 41.60 2jkt h LEU 551 CO 0.04 1.16 -0.70 -0.36 -1.08 0.00 0.00 178.44 177.50 2jkt s PHE 552 N -4.28 2.59 -1.03 1.13 0.40 0.14 -4.93 117.98 112.00 2jkt s PHE 552 Ca -0.12 -2.84 0.00 0.00 -0.60 0.00 0.00 56.93 53.37 2jkt s PHE 552 Cb 0.09 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.42 2jkt s PHE 552 CO 0.85 -0.71 0.96 -2.30 0.70 0.00 0.00 175.22 174.72 2jkt n PRO 553 N 2.89 0.00 -0.04 0.24 -0.02 -1.26 -1.69 135.00 135.12 2jkt n PRO 553 Ca 0.14 0.46 -0.16 0.00 -2.02 0.00 0.00 63.50 61.92 2jkt n PRO 553 Cb 0.36 -1.51 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 2jkt n PRO 553 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2jkt h GLU 554 N 0.00 0.64 -0.40 -0.52 4.11 -1.91 -3.20 114.58 113.29 2jkt h GLU 554 Ca 0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2jkt h GLU 554 Cb 0.02 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2jkt h GLU 554 CO 0.00 1.10 0.00 1.33 0.07 0.00 0.00 179.01 181.51 2jkt n VAL 555 N -4.16 0.53 -0.30 -1.06 0.24 -0.68 -3.99 118.33 108.90 2jkt n VAL 555 Ca -0.07 -0.61 -0.03 0.00 -2.04 0.00 0.00 64.34 61.59 2jkt n VAL 555 Cb 0.61 0.47 0.12 0.00 -1.47 0.00 0.00 33.84 33.58 2jkt n VAL 555 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2jkt h LYS 556 N 3.07 1.19 -0.40 7.34 3.64 -1.54 -1.00 116.57 128.87 2jkt h LYS 556 Ca 0.00 -0.13 0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2jkt h LYS 556 Cb 0.69 -0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 2jkt h LYS 556 CO 0.00 0.86 -0.13 0.00 -2.27 0.00 0.00 179.45 177.91 2jkt h ALA 557 N 1.33 0.21 0.14 5.00 0.00 -1.77 -1.86 119.26 122.31 2jkt h ALA 557 Ca 0.30 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2jkt h ALA 557 Cb 0.01 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jkt h ALA 557 CO -0.05 -0.49 -0.07 1.15 0.00 0.00 0.00 179.25 179.79 2jkt h THR 558 N -0.05 0.00 -1.44 0.00 2.02 -1.71 -3.29 112.91 108.44 2jkt h THR 558 Ca 0.20 -0.21 0.42 0.00 0.77 0.00 0.00 66.41 67.58 2jkt h THR 558 Cb 0.35 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.69 2jkt h THR 558 CO -0.44 0.00 1.02 0.40 0.37 0.00 0.00 175.52 176.87 2jkt h ILE 559 N -0.40 0.26 0.09 3.11 2.04 -1.30 -1.68 117.51 119.62 2jkt h ILE 559 Ca -0.02 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2jkt h ILE 559 Cb 0.15 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2jkt h ILE 559 CO 0.03 0.01 -0.04 -0.61 0.00 0.00 0.00 178.15 177.54 2jkt h GLN 560 N 0.04 -0.11 -0.82 2.37 4.15 -1.40 -2.65 115.11 116.70 2jkt h GLN 560 Ca 0.71 0.01 -0.14 0.00 0.77 0.00 0.00 58.65 60.00 2jkt h GLN 560 Cb 2.71 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 30.34 2jkt h GLN 560 CO -0.08 -0.05 0.17 -0.40 -1.93 0.00 0.00 178.83 176.54 2jkt n ASP 561 N -5.13 4.03 -0.02 -0.69 5.75 -0.64 -2.53 116.55 117.32 2jkt n ASP 561 Ca -0.08 -2.83 -0.11 0.00 -0.01 0.00 0.00 54.79 51.76 2jkt n ASP 561 Cb 0.08 -0.67 -0.14 0.00 -1.03 0.00 0.00 41.12 39.36 2jkt n ASP 561 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2jkt n VAL 562 N 0.03 1.63 0.55 2.12 0.31 -1.02 -3.78 118.33 118.18 2jkt n VAL 562 Ca 0.28 -0.77 0.13 0.00 -0.01 0.00 0.00 64.34 63.96 2jkt n VAL 562 Cb 1.07 -1.13 0.36 0.00 -0.91 0.00 0.00 33.84 33.23 2jkt n VAL 562 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2jkt h LEU 563 N 0.01 0.00 0.00 7.52 3.38 -1.27 -3.31 115.31 121.64 2jkt h LEU 563 Ca -0.33 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.38 2jkt h LEU 563 Cb 2.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.74 2jkt h LEU 563 CO 0.07 0.00 -1.85 -1.14 0.09 0.00 0.00 178.44 175.62 2jkt n ARG 564 N -2.40 0.65 -2.15 1.13 0.63 -1.07 -4.26 116.66 109.19 2jkt n ARG 564 Ca 0.05 0.14 -0.37 0.00 -0.92 0.00 0.00 57.85 56.76 2jkt n ARG 564 Cb 0.45 -1.69 0.01 0.00 0.45 0.00 0.00 32.46 31.67 2jkt n ARG 564 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2jkt s SER 565 N -5.69 5.76 0.26 6.15 1.04 -1.25 -4.74 113.70 115.24 2jkt s SER 565 Ca -0.06 2.35 -0.04 0.00 0.48 0.00 0.00 55.95 58.68 2jkt s SER 565 Cb 0.08 -2.60 0.53 0.00 0.10 0.00 0.00 66.02 64.13 2jkt s SER 565 CO 0.83 -1.20 1.64 0.44 0.98 0.00 0.00 173.24 175.92 2jkt h ASP 566 N 1.55 -0.25 -1.36 7.02 3.32 -1.91 -1.80 116.42 123.00 2jkt h ASP 566 Ca -0.50 0.20 0.46 0.00 0.02 0.00 0.00 57.03 57.21 2jkt h ASP 566 Cb 1.27 0.33 -0.12 0.00 0.22 0.00 0.00 39.33 41.02 2jkt h ASP 566 CO 0.58 -0.18 0.89 -1.20 -1.72 0.00 0.00 179.24 177.61 2jkt n SER 567 N -5.31 0.17 -0.11 6.45 7.64 -1.26 -0.58 113.62 120.62 2jkt n SER 567 Ca 0.16 1.24 -0.23 0.00 1.01 0.00 0.00 58.87 61.05 2jkt n SER 567 Cb 0.54 -0.61 -0.12 0.00 -1.01 0.00 0.00 64.21 63.02 2jkt n SER 567 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jkt n GLN 568 N -4.47 0.63 0.14 1.43 3.00 -0.68 -3.59 117.38 113.84 2jkt n GLN 568 Ca 0.38 0.26 0.01 0.00 -0.01 0.00 0.00 57.00 57.64 2jkt n GLN 568 Cb 1.51 -1.56 0.13 0.00 0.00 0.00 0.00 30.24 30.32 2jkt n GLN 568 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2jkt h LEU 569 N -0.47 0.00 -2.88 1.08 3.38 -1.11 -2.89 115.31 112.42 2jkt h LEU 569 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2jkt h LEU 569 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2jkt h LEU 569 CO -0.20 0.59 0.00 0.29 0.09 0.00 0.00 178.44 179.21 2jkt n LYS 570 N -3.48 2.88 -1.41 1.13 5.02 0.26 -4.94 118.16 117.63 2jkt n LYS 570 Ca 0.00 -2.26 -0.48 0.00 -2.02 0.00 0.00 58.31 53.55 2jkt n LYS 570 Cb 0.68 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.27 2jkt n LYS 570 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jkt n ASN 571 N 0.75 -1.17 0.12 4.39 2.85 -1.09 -4.84 115.26 116.26 2jkt n ASN 571 Ca 0.16 1.12 0.13 0.00 -0.11 0.00 0.00 54.58 55.87 2jkt n ASN 571 Cb 0.51 -0.97 0.33 0.00 1.24 0.00 0.00 39.78 40.90 2jkt n ASN 571 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jkt h ALA 572 N 1.03 0.94 -2.72 5.20 0.00 -1.91 -3.43 119.26 118.36 2jkt h ALA 572 Ca -0.29 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.06 2jkt h ALA 572 Cb 1.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 2jkt h ALA 572 CO 0.57 0.00 0.05 0.34 0.00 0.00 0.00 179.25 180.20 2jkt s ASP 573 N -4.77 7.10 0.08 0.00 3.68 -1.26 -4.99 116.67 116.51 2jkt s ASP 573 Ca 0.09 1.31 -0.32 0.00 2.13 0.00 0.00 52.55 55.76 2jkt s ASP 573 Cb 0.11 -2.40 -0.17 0.00 -1.45 0.00 0.00 42.92 39.01 2jkt s ASP 573 CO 0.63 0.13 1.62 -0.37 0.13 0.00 0.00 175.17 177.31 2jkt h VAL 574 N 3.90 0.32 -0.80 1.11 -1.51 -1.99 -2.33 116.25 114.96 2jkt h VAL 574 Ca -0.46 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.11 2jkt h VAL 574 Cb 1.21 0.32 -0.08 0.00 -2.13 0.00 0.00 31.29 30.61 2jkt h VAL 574 CO 0.68 0.00 0.43 -0.08 -1.23 0.00 0.00 177.57 177.38 2jkt h GLU 575 N -0.83 0.70 -0.35 5.19 4.57 -1.97 0.33 114.58 122.22 2jkt h GLU 575 Ca -0.06 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.01 2jkt h GLU 575 Cb 0.67 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 2jkt h GLU 575 CO 0.07 0.46 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.22 2jkt h LEU 576 N 0.72 0.55 -0.15 1.64 4.07 -1.94 -2.50 115.31 117.70 2jkt h LEU 576 Ca 0.39 -0.13 -0.12 0.00 0.08 0.00 0.00 57.88 58.10 2jkt h LEU 576 Cb 0.40 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 2jkt h LEU 576 CO -0.27 0.67 -0.59 -0.61 -1.08 0.00 0.00 178.44 176.55 2jkt h GLN 577 N 0.54 0.00 0.37 1.13 4.15 -0.43 -2.54 115.11 118.32 2jkt h GLN 577 Ca 0.10 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 2jkt h GLN 577 Cb 0.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.14 2jkt h GLN 577 CO 0.02 0.59 -0.18 1.96 -1.93 0.00 0.00 178.83 179.30 2jkt h GLN 578 N 0.00 -0.48 -1.02 1.69 1.08 -0.97 -2.45 115.11 112.96 2jkt h GLN 578 Ca -0.01 0.03 0.31 0.00 -1.45 0.00 0.00 58.65 57.53 2jkt h GLN 578 Cb 1.40 0.11 -0.14 0.00 -0.05 0.00 0.00 27.48 28.80 2jkt h GLN 578 CO 0.08 -0.32 0.60 0.00 -0.95 0.00 0.00 178.83 178.24 2jkt h ARG 579 N -0.69 0.36 0.48 1.46 -0.00 -1.50 -0.12 114.38 114.36 2jkt h ARG 579 Ca -0.05 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.38 2jkt h ARG 579 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.27 2jkt h ARG 579 CO 0.08 0.24 -0.23 0.00 0.00 0.00 0.00 179.97 180.07 2jkt h ALA 580 N 1.80 -0.85 -0.70 0.04 0.00 -1.48 -1.59 119.26 116.48 2jkt h ALA 580 Ca 0.71 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.63 2jkt h ALA 580 Cb 1.61 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 19.54 2jkt h ALA 580 CO -0.55 -0.81 0.15 0.28 0.00 0.00 0.00 179.25 178.33 2jkt h VAL 581 N -0.86 0.54 0.45 0.00 2.07 -0.97 -1.47 116.25 116.02 2jkt h VAL 581 Ca -0.07 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2jkt h VAL 581 Cb 0.49 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2jkt h VAL 581 CO 0.11 0.05 -0.22 -0.33 0.02 0.00 0.00 177.57 177.20 2jkt h GLU 582 N 0.26 -0.59 -0.39 1.57 5.08 -1.07 0.23 114.58 119.67 2jkt h GLU 582 Ca 0.39 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 2jkt h GLU 582 Cb 0.64 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2jkt h GLU 582 CO -0.49 -0.33 0.10 1.88 -1.00 0.00 0.00 179.01 179.18 2jkt h TYR 583 N -0.74 0.57 -0.20 4.33 0.05 -1.08 0.05 116.97 119.96 2jkt h TYR 583 Ca -0.06 -0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.55 2jkt h TYR 583 Cb 0.53 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.10 2jkt h TYR 583 CO -0.02 0.49 -0.39 1.25 -1.05 0.00 0.00 178.16 178.45 2jkt h LEU 584 N 0.56 0.69 0.04 3.88 5.85 -1.19 -0.66 115.31 124.48 2jkt h LEU 584 Ca 0.13 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2jkt h LEU 584 Cb 0.20 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2jkt h LEU 584 CO -0.00 1.11 -0.11 -0.09 -0.34 0.00 0.00 178.44 179.00 2jkt h ARG 585 N 0.29 -0.21 0.00 1.25 9.65 -0.37 -2.42 114.38 122.58 2jkt h ARG 585 Ca 0.01 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2jkt h ARG 585 Cb 0.99 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2jkt h ARG 585 CO 0.09 -0.14 -0.00 1.47 2.80 0.00 0.00 179.97 184.18 2jkt n LEU 586 N -5.24 0.53 0.21 3.80 -0.00 -0.05 -0.11 117.00 116.14 2jkt n LEU 586 Ca -0.06 0.55 0.15 0.00 -0.00 0.00 0.00 56.01 56.64 2jkt n LEU 586 Cb 0.16 -0.38 0.56 0.00 -0.00 0.00 0.00 43.42 43.76 2jkt n LEU 586 CO 0.29 -0.12 0.92 0.77 -0.00 0.00 0.00 177.39 179.25 2jkt h SER 587 N 0.00 0.00 0.00 1.45 4.64 -0.70 -3.12 113.55 115.81 2jkt h SER 587 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2jkt h SER 587 Cb 0.65 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2jkt h SER 587 CO 0.00 0.00 -1.43 0.41 -0.87 0.00 0.00 176.83 174.94 2jkt n THR 588 N -2.72 1.50 0.06 2.95 -1.04 -0.14 -4.78 114.28 110.11 2jkt n THR 588 Ca 0.02 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 2jkt n THR 588 Cb 0.30 -2.21 -0.09 0.00 -1.82 0.00 0.00 70.33 66.52 2jkt n THR 588 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2jkt h VAL 589 N -1.00 1.32 -4.04 12.58 2.07 -0.65 -3.47 116.25 123.07 2jkt h VAL 589 Ca -0.22 -2.36 -0.55 0.00 0.82 0.00 0.00 66.70 64.40 2jkt h VAL 589 Cb 1.16 2.44 0.14 0.00 -1.52 0.00 0.00 31.29 33.51 2jkt h VAL 589 CO -0.13 0.72 0.64 0.00 0.02 0.00 0.00 177.57 178.81 2jkt s ALA 590 N -3.25 2.92 0.57 1.67 0.00 -1.18 -4.96 121.76 117.53 2jkt s ALA 590 Ca -0.08 1.38 -0.21 0.00 0.00 0.00 0.00 51.96 53.05 2jkt s ALA 590 Cb 0.07 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2jkt s ALA 590 CO 0.90 -1.36 1.36 -1.12 0.00 0.00 0.00 175.76 175.55 2jkt s SER 591 N -0.83 5.11 0.55 0.00 0.01 -1.26 -4.81 113.70 112.47 2jkt s SER 591 Ca 0.69 2.77 0.28 0.00 1.31 0.00 0.00 55.95 61.00 2jkt s SER 591 Cb -0.42 -2.64 1.58 0.00 0.21 0.00 0.00 66.02 64.76 2jkt s SER 591 CO 0.50 -1.68 2.14 0.74 0.41 0.00 0.00 173.24 175.36 2jkt h THR 592 N 1.29 0.58 0.11 1.44 2.02 -1.98 0.17 112.91 116.53 2jkt h THR 592 Ca -0.51 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2jkt h THR 592 Cb 1.31 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2jkt h THR 592 CO 0.56 0.07 -0.05 0.44 0.37 0.00 0.00 175.52 176.91 2jkt h ASP 593 N 0.00 -0.12 -0.99 4.18 5.19 -2.00 -3.21 116.42 119.46 2jkt h ASP 593 Ca -0.00 -0.42 0.07 0.00 -0.62 0.00 0.00 57.03 56.06 2jkt h ASP 593 Cb 0.20 0.03 -0.07 0.00 0.18 0.00 0.00 39.33 39.67 2jkt h ASP 593 CO 0.01 0.50 0.64 -0.29 -3.12 0.00 0.00 179.24 176.99 2jkt h ILE 594 N -0.91 1.08 0.40 0.35 6.09 -1.80 -2.58 117.51 120.14 2jkt h ILE 594 Ca -0.01 -0.40 -0.02 0.00 -1.37 0.00 0.00 64.86 63.06 2jkt h ILE 594 Cb 0.53 -0.18 0.00 0.00 0.47 0.00 0.00 36.82 37.65 2jkt h ILE 594 CO 0.02 0.21 -0.20 0.25 -3.07 0.00 0.00 178.15 175.37 2jkt h LEU 595 N 1.15 -0.47 -2.13 2.19 6.46 -0.81 -1.09 115.31 120.61 2jkt h LEU 595 Ca 0.43 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 58.27 2jkt h LEU 595 Cb 0.19 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 2jkt h LEU 595 CO -0.17 -0.33 0.31 0.00 -0.62 0.00 0.00 178.44 177.62 2jkt h ALA 596 N 0.06 1.74 0.11 1.25 0.00 -1.48 -0.17 119.26 120.77 2jkt h ALA 596 Ca -0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 2jkt h ALA 596 Cb 0.42 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jkt h ALA 596 CO 0.09 -0.41 -0.79 1.15 0.00 0.00 0.00 179.25 179.29 2jkt h THR 597 N 0.00 1.48 -0.80 0.00 2.02 -0.96 -2.56 112.91 112.09 2jkt h THR 597 Ca 0.10 -2.42 -0.04 0.00 0.77 0.00 0.00 66.41 64.81 2jkt h THR 597 Cb 0.71 3.03 -0.04 0.00 -1.74 0.00 0.00 68.15 70.11 2jkt h THR 597 CO -0.00 0.69 0.34 0.58 0.37 0.00 0.00 175.52 177.50 2jkt h VAL 598 N -0.27 1.26 -0.80 3.16 2.07 -0.05 -2.91 116.25 118.71 2jkt h VAL 598 Ca -0.13 -0.80 -0.39 0.00 0.82 0.00 0.00 66.70 66.21 2jkt h VAL 598 Cb 1.58 0.28 -0.23 0.00 -1.52 0.00 0.00 31.29 31.40 2jkt h VAL 598 CO 0.15 0.33 0.42 0.18 0.02 0.00 0.00 177.57 178.67 2jkt n LEU 599 N -4.29 6.02 0.00 2.57 4.77 -0.19 -4.98 117.00 120.90 2jkt n LEU 599 Ca 0.07 -3.57 -0.11 0.00 -0.03 0.00 0.00 56.01 52.37 2jkt n LEU 599 Cb 0.17 -0.78 0.10 0.00 -2.33 0.00 0.00 43.42 40.59 2jkt n LEU 599 CO 0.40 1.05 0.12 -0.62 -1.33 0.00 0.00 177.39 177.02 2jkt n GLU 600 N -0.97 -2.00 -0.08 3.23 1.02 -0.96 -4.84 120.64 116.04 2jkt n GLU 600 Ca 0.50 -0.51 0.03 0.00 -0.02 0.00 0.00 57.16 57.16 2jkt n GLU 600 Cb 1.48 -0.79 0.07 0.00 -0.02 0.00 0.00 31.44 32.18 2jkt n GLU 600 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2jkt n GLU 601 N -2.47 1.37 -2.05 3.49 0.28 -1.26 -4.99 120.64 115.01 2jkt n GLU 601 Ca 0.05 -0.58 0.00 0.00 -0.16 0.00 0.00 57.16 56.47 2jkt n GLU 601 Cb 0.21 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 31.96 2jkt n GLU 601 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2jkt n MET 602 N -0.03 -5.16 -0.34 3.44 2.81 -1.26 -4.96 117.12 111.62 2jkt n MET 602 Ca 0.05 3.65 -0.30 0.00 -1.81 0.00 0.00 57.70 59.29 2jkt n MET 602 Cb 0.14 -4.00 0.29 0.00 -0.71 0.00 0.00 33.22 28.93 2jkt n MET 602 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2jkt s PRO 603 N -0.66 -2.66 0.93 0.03 0.02 -1.26 -4.99 135.00 126.40 2jkt s PRO 603 Ca 0.00 0.33 -0.12 0.00 0.02 0.00 0.00 61.00 61.23 2jkt s PRO 603 Cb 0.00 -1.39 0.15 0.00 0.02 0.00 0.00 34.50 33.28 2jkt s PRO 603 CO 0.00 -4.75 1.10 -2.14 -0.33 0.00 0.00 177.00 170.89 2jkt s PRO 604 N -4.87 1.00 -0.11 5.54 0.02 -1.26 -4.98 135.00 130.33 2jkt s PRO 604 Ca 0.68 0.57 -0.19 0.00 0.02 0.00 0.00 61.00 62.08 2jkt s PRO 604 Cb -0.17 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 2jkt s PRO 604 CO 0.60 -2.36 0.53 -0.06 -0.33 0.00 0.00 177.00 175.39 2jkt s PHE 605 N -3.04 3.52 -0.16 6.54 0.40 -1.26 -5.01 117.98 118.96 2jkt s PHE 605 Ca 0.64 0.97 -0.30 0.00 -0.60 0.00 0.00 56.93 57.63 2jkt s PHE 605 Cb -0.17 -2.62 -0.08 0.00 0.51 0.00 0.00 43.02 40.66 2jkt s PHE 605 CO 0.56 0.13 2.11 -2.30 0.70 0.00 0.00 175.22 176.42 2jkt n PRO 606 N 3.79 2.09 -1.80 0.24 -0.02 -1.26 -4.85 135.00 133.19 2jkt n PRO 606 Ca -0.05 0.66 -0.24 0.00 -2.02 0.00 0.00 63.50 61.85 2jkt n PRO 606 Cb 0.51 -2.99 -0.09 0.00 -0.02 0.00 0.00 33.50 30.92 2jkt n PRO 606 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jkt n GLU 607 N 8.08 0.96 -1.42 -0.52 -0.58 -1.26 -4.88 120.64 121.03 2jkt n GLU 607 Ca 0.28 -2.11 -0.49 0.00 -0.42 0.00 0.00 57.16 54.42 2jkt n GLU 607 Cb 0.38 -3.76 -0.03 0.00 -0.57 0.00 0.00 31.44 27.46 2jkt n GLU 607 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jkt n ARG 608 N 8.16 0.05 -4.14 3.49 1.74 -1.26 -4.95 116.66 119.76 2jkt n ARG 608 Ca 0.44 0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 57.42 2jkt n ARG 608 Cb 0.46 -1.08 -0.11 0.00 -1.02 0.00 0.00 32.46 30.72 2jkt n ARG 608 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2jkt s GLU 609 N -0.92 0.74 0.44 5.56 -1.05 -1.26 -5.12 118.70 117.09 2jkt s GLU 609 Ca 0.66 -1.13 -0.25 0.00 -0.15 0.00 0.00 54.97 54.10 2jkt s GLU 609 Cb -0.95 -0.27 -0.08 0.00 -0.44 0.00 0.00 34.13 32.38 2jkt s GLU 609 CO 0.56 0.01 1.39 -1.12 0.95 0.00 0.00 175.26 177.05 2jkt s SER 610 N -2.52 6.00 -0.03 0.83 0.01 -1.26 -5.01 113.70 111.72 2jkt s SER 610 Ca 0.04 2.83 -0.15 0.00 1.31 0.00 0.00 55.95 59.99 2jkt s SER 610 Cb -0.00 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 2jkt s SER 610 CO -0.03 -1.08 0.39 -0.94 0.41 0.00 0.00 173.24 172.00 2jkt s SER 611 N -0.59 6.75 -0.69 2.44 1.04 -1.26 -5.05 113.70 116.34 2jkt s SER 611 Ca 0.60 0.89 -0.25 0.00 0.48 0.00 0.00 55.95 57.67 2jkt s SER 611 Cb -0.42 -2.24 0.05 0.00 0.10 0.00 0.00 66.02 63.51 2jkt s SER 611 CO 0.54 0.29 1.12 -0.63 0.98 0.00 0.00 173.24 175.54 2jkt s ILE 612 N -0.82 4.02 0.32 -1.02 1.01 -1.26 -4.90 121.20 118.55 2jkt s ILE 612 Ca 0.23 0.07 0.11 0.00 0.00 0.00 0.00 60.65 61.06 2jkt s ILE 612 Cb -0.16 -4.80 0.03 0.00 0.01 0.00 0.00 42.46 37.54 2jkt s ILE 612 CO 0.12 -1.64 1.71 -0.07 0.00 0.00 0.00 174.94 175.06 2jkt h LEU 613 N 12.18 0.01 -6.96 2.97 3.38 -1.96 -3.45 115.31 121.48 2jkt h LEU 613 Ca -0.28 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.77 2jkt h LEU 613 Cb 1.06 -0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.56 2jkt h LEU 613 CO 1.23 0.51 0.21 0.00 0.09 0.00 0.00 178.44 180.48 2jkt s ALA 614 N -3.89 -2.16 0.06 1.53 0.00 -1.26 -4.15 121.76 111.89 2jkt s ALA 614 Ca -0.02 2.28 0.03 0.00 0.00 0.00 0.00 51.96 54.25 2jkt s ALA 614 Cb 0.13 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2jkt s ALA 614 CO 0.75 -0.45 -0.10 0.21 0.00 0.00 0.00 175.76 176.17 2jkt s LYS 615 N 1.64 0.65 -0.48 0.00 2.20 -1.24 -4.75 119.74 117.76 2jkt s LYS 615 Ca -0.09 -0.87 -0.27 0.00 -0.36 0.00 0.00 55.97 54.38 2jkt s LYS 615 Cb -0.05 -0.46 -0.02 0.00 -1.51 0.00 0.00 37.83 35.79 2jkt s LYS 615 CO -0.17 0.09 1.89 -1.17 -0.36 0.00 0.00 175.35 175.62 2jkt s LEU 616 N -1.76 3.39 0.00 5.43 2.96 -1.24 -3.72 118.68 123.73 2jkt s LEU 616 Ca -0.05 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 2jkt s LEU 616 Cb -0.09 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.66 2jkt s LEU 616 CO 0.01 -2.14 0.00 0.29 -1.32 0.00 0.00 176.35 173.18 2jkt n LYS 617 N 8.85 0.00 -0.01 1.98 5.02 -1.17 -4.79 118.16 128.04 2jkt n LYS 617 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2jkt n LYS 617 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 2jkt n LYS 617 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2jkt n LYS 618 N 0.00 0.00 -2.40 1.97 4.81 -1.26 -4.05 118.16 117.22 2jkt n LYS 618 Ca 0.00 -0.03 -0.20 0.00 -0.87 0.00 0.00 58.31 57.21 2jkt n LYS 618 Cb 0.00 -1.34 -0.01 0.00 0.02 0.00 0.00 35.03 33.71 2jkt n LYS 618 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2jkt n LYS 619 N 2.83 -1.72 -3.48 1.64 2.85 -1.26 -5.00 118.16 114.00 2jkt n LYS 619 Ca 0.00 0.96 -0.14 0.00 -1.05 0.00 0.00 58.31 58.08 2jkt n LYS 619 Cb 0.00 -5.58 -0.04 0.00 -0.65 0.00 0.00 35.03 28.76 2jkt n LYS 619 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2jkt s LYS 620 N -5.02 1.08 0.00 -1.58 -2.85 -1.26 -5.12 119.74 104.99 2jkt s LYS 620 Ca 0.01 -0.11 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 2jkt s LYS 620 Cb -0.01 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 2jkt s LYS 620 CO 0.02 -0.41 0.23 0.41 0.10 0.00 0.00 175.35 175.69 2jkt n GLY 621 N 0.24 -1.67 3.68 0.59 0.00 -1.26 -3.03 105.19 103.73 2jkt n GLY 621 Ca -0.16 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2jkt n GLY 621 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkt n GLY 622 N -0.68 0.33 0.81 -0.02 0.00 -1.26 -3.63 105.19 100.74 2jkt n GLY 622 Ca 0.00 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2jkt n GLY 622 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06