#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkz s THR 7 N 0.00 2.06 0.41 0.58 -4.23 -1.26 -5.01 115.64 108.19 3kkz s THR 7 Ca 0.00 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.80 3kkz s THR 7 Cb 0.00 -2.85 0.24 0.00 1.34 0.00 0.00 72.50 71.24 3kkz s THR 7 CO 0.00 0.00 2.03 0.40 -0.54 0.00 0.00 174.62 176.51 3kkz h ILE 8 N 1.45 1.12 -0.61 2.99 2.04 -2.04 -2.89 117.51 119.56 3kkz h ILE 8 Ca -0.43 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 3kkz h ILE 8 Cb 1.26 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3kkz h ILE 8 CO 0.72 0.13 0.18 0.45 0.00 0.00 0.00 178.15 179.63 3kkz h HIS 9 N 0.48 1.00 -0.59 1.37 3.86 -1.97 0.87 115.15 120.17 3kkz h HIS 9 Ca 0.12 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3kkz h HIS 9 Cb 0.03 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 3kkz h HIS 9 CO 0.00 0.83 0.28 -0.44 0.86 0.00 0.00 177.93 179.46 3kkz h ASP 10 N 0.88 0.78 -0.26 2.45 3.32 -1.91 0.20 116.42 121.89 3kkz h ASP 10 Ca 0.20 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 3kkz h ASP 10 Cb 0.31 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3kkz h ASP 10 CO -0.00 0.70 -0.18 0.15 -1.72 0.00 0.00 179.24 178.19 3kkz h PHE 11 N 0.81 0.78 0.00 4.55 3.57 -1.28 -3.16 116.94 122.22 3kkz h PHE 11 Ca 0.20 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3kkz h PHE 11 Cb 0.13 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3kkz h PHE 11 CO 0.00 0.83 -0.18 0.93 -2.23 0.00 0.00 178.31 177.66 3kkz h GLU 12 N 0.63 -0.29 -0.94 1.11 4.39 0.17 -2.19 114.58 117.47 3kkz h GLU 12 Ca 0.10 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.99 3kkz h GLU 12 Cb 0.65 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.28 3kkz h GLU 12 CO 0.05 -0.19 0.60 -0.07 -1.16 0.00 0.00 179.01 178.24 3kkz h LEU 13 N -0.30 0.67 -0.19 1.33 3.38 -0.96 0.10 115.31 119.34 3kkz h LEU 13 Ca 0.05 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3kkz h LEU 13 Cb 0.37 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 3kkz h LEU 13 CO -0.17 0.30 -0.19 -1.13 0.09 0.00 0.00 178.44 177.34 3kkz h ASN 14 N 0.68 -0.59 -0.25 -0.43 -1.24 -1.39 -1.29 115.58 111.07 3kkz h ASN 14 Ca 0.50 0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.60 3kkz h ASN 14 Cb 0.85 0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.18 3kkz h ASN 14 CO -0.26 -0.23 0.08 -0.07 -1.29 0.00 0.00 177.43 175.66 3kkz h LEU 15 N -0.21 0.36 -0.33 0.34 3.38 -0.52 -2.01 115.31 116.31 3kkz h LEU 15 Ca 0.12 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.95 3kkz h LEU 15 Cb 0.38 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 3kkz h LEU 15 CO -0.31 0.46 -0.03 0.40 0.09 0.00 0.00 178.44 179.05 3kkz h ILE 16 N 0.24 0.73 0.01 1.22 2.04 -0.88 0.32 117.51 121.19 3kkz h ILE 16 Ca 0.08 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.93 3kkz h ILE 16 Cb 0.22 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3kkz h ILE 16 CO -0.00 0.01 -0.05 0.00 0.00 0.00 0.00 178.15 178.11 3kkz h ASP 18 N -0.09 -0.57 0.04 0.00 3.32 -0.79 0.86 116.42 119.19 3kkz h ASP 18 Ca 0.02 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.18 3kkz h ASP 18 Cb 0.11 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3kkz h ASP 18 CO -0.05 -0.25 -0.18 0.15 -1.72 0.00 0.00 179.24 177.19 3kkz h PHE 19 N -0.27 -0.48 0.00 4.55 3.04 -0.14 -3.04 116.94 120.60 3kkz h PHE 19 Ca 0.08 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.04 3kkz h PHE 19 Cb 0.38 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.10 3kkz h PHE 19 CO -0.27 -0.27 -0.22 1.19 -2.02 0.00 0.00 178.31 176.72 3kkz n PHE 20 N -5.31 0.59 0.31 0.41 3.72 -0.29 -3.46 117.46 113.42 3kkz n PHE 20 Ca -0.06 0.17 0.18 0.00 -0.05 0.00 0.00 57.45 57.70 3kkz n PHE 20 Cb 0.23 -0.73 0.99 0.00 -0.94 0.00 0.00 39.48 39.04 3kkz n PHE 20 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3kkz h SER 21 N 0.00 0.00 -1.61 4.37 0.02 -0.70 -3.44 113.55 112.19 3kkz h SER 21 Ca 0.00 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 60.18 3kkz h SER 21 Cb 0.68 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.04 3kkz h SER 21 CO 0.00 0.02 1.88 0.59 -1.14 0.00 0.00 176.83 178.18 3kkz n ASN 22 N -3.44 7.40 0.00 3.07 3.02 -1.22 -5.11 115.26 118.98 3kkz n ASN 22 Ca -0.03 -3.31 0.00 0.00 -0.03 0.00 0.00 54.58 51.22 3kkz n ASN 22 Cb 0.12 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 3kkz n ASN 22 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3kkz n GLU 24 N 1.46 3.00 -4.15 3.52 2.13 -1.26 -4.81 120.64 120.53 3kkz n GLU 24 Ca 0.53 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 58.20 3kkz n GLU 24 Cb 0.27 -0.99 -0.11 0.00 0.27 0.00 0.00 31.44 30.88 3kkz n GLU 24 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3kkz s ARG 25 N -1.98 0.78 -0.08 5.31 1.81 -1.26 -3.61 118.95 119.93 3kkz s ARG 25 Ca 0.00 -1.05 0.12 0.00 -1.72 0.00 0.00 55.73 53.08 3kkz s ARG 25 Cb 0.00 -0.54 0.28 0.00 -0.45 0.00 0.00 34.95 34.24 3kkz s ARG 25 CO 0.00 0.09 1.21 1.04 -0.68 0.00 0.00 175.30 176.96 3kkz n GLN 26 N 0.85 2.54 -3.81 3.54 3.00 -1.26 -5.02 117.38 117.21 3kkz n GLN 26 Ca -0.18 -2.25 -0.05 0.00 -0.01 0.00 0.00 57.00 54.51 3kkz n GLN 26 Cb 0.56 -1.41 -0.00 0.00 0.00 0.00 0.00 30.24 29.40 3kkz n GLN 26 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3kkz s GLY 27 N -1.69 -0.04 0.42 1.08 0.00 -1.26 -5.12 107.32 100.71 3kkz s GLY 27 Ca 0.24 -0.19 -0.26 0.00 0.00 0.00 0.00 44.72 44.51 3kkz s GLY 27 CO 0.07 0.42 1.42 -1.05 0.00 0.00 0.00 173.10 173.96 3kkz n PRO 28 N -0.52 2.33 -3.76 2.90 -0.02 -1.26 -4.84 135.00 129.82 3kkz n PRO 28 Ca -0.05 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3kkz n PRO 28 Cb 0.60 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3kkz n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kkz n GLY 29 N 0.58 -2.37 3.46 -1.23 0.00 -0.93 -4.81 105.19 99.89 3kkz n GLY 29 Ca 0.04 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 3kkz n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kkz s SER 30 N -0.49 -0.50 0.33 1.61 1.04 -1.26 -4.48 113.70 109.95 3kkz s SER 30 Ca 0.00 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.47 3kkz s SER 30 Cb 0.00 0.51 0.57 0.00 0.10 0.00 0.00 66.02 67.20 3kkz s SER 30 CO 0.00 -0.82 1.98 -0.65 0.98 0.00 0.00 173.24 174.73 3kkz h PRO 31 N 2.05 0.93 -0.75 4.02 0.11 -1.99 -1.33 132.00 135.04 3kkz h PRO 31 Ca -0.29 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kkz h PRO 31 Cb 1.28 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3kkz h PRO 31 CO 0.35 0.62 0.46 0.93 -0.21 0.00 0.00 178.00 180.15 3kkz h GLU 32 N 0.96 1.01 -0.38 1.05 3.07 -1.99 -0.98 114.58 117.33 3kkz h GLU 32 Ca 0.29 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 58.98 3kkz h GLU 32 Cb -0.03 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 3kkz h GLU 32 CO -0.07 0.71 -0.10 0.28 -1.40 0.00 0.00 179.01 178.42 3kkz h VAL 33 N 1.02 1.28 -0.53 3.13 2.07 -1.80 0.74 116.25 122.15 3kkz h VAL 33 Ca 0.27 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.64 3kkz h VAL 33 Cb -0.05 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3kkz h VAL 33 CO -0.05 0.39 0.30 0.74 0.02 0.00 0.00 177.57 178.97 3kkz h THR 34 N 0.55 1.01 -0.03 2.57 2.02 -0.94 -0.84 112.91 117.25 3kkz h THR 34 Ca 0.10 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 3kkz h THR 34 Cb 0.62 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3kkz h THR 34 CO 0.04 0.11 -0.57 -0.07 0.37 0.00 0.00 175.52 175.39 3kkz h LEU 35 N 0.59 0.10 -0.45 2.58 3.38 -1.03 -1.58 115.31 118.90 3kkz h LEU 35 Ca 0.22 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3kkz h LEU 35 Cb 0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3kkz h LEU 35 CO -0.12 0.66 0.12 0.50 0.09 0.00 0.00 178.44 179.68 3kkz h LYS 36 N 0.07 0.72 -0.67 1.13 1.63 -0.35 -0.95 116.57 118.15 3kkz h LYS 36 Ca -0.00 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 3kkz h LYS 36 Cb 1.04 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.54 3kkz h LYS 36 CO 0.08 0.71 0.40 0.00 -3.45 0.00 0.00 179.45 177.19 3kkz h ALA 37 N 0.98 0.86 -0.03 5.00 0.00 -0.95 -2.52 119.26 122.60 3kkz h ALA 37 Ca 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kkz h ALA 37 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kkz h ALA 37 CO 0.00 0.34 -0.13 1.25 0.00 0.00 0.00 179.25 180.71 3kkz h LEU 38 N 0.92 0.04 -0.79 0.00 6.46 -0.97 -2.48 115.31 118.49 3kkz h LEU 38 Ca 0.24 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3kkz h LEU 38 Cb -0.02 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 3kkz h LEU 38 CO -0.04 0.18 0.00 -1.54 -0.62 0.00 0.00 178.44 176.41 3kkz n SER 39 N -4.36 0.48 -0.63 1.25 3.41 -0.39 -1.49 113.62 111.88 3kkz n SER 39 Ca -0.02 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3kkz n SER 39 Cb 0.21 -0.75 0.19 0.00 -0.26 0.00 0.00 64.21 63.61 3kkz n SER 39 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3kkz n PHE 40 N -2.07 0.00 -3.49 7.33 3.72 -0.93 -4.86 117.46 117.16 3kkz n PHE 40 Ca 0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.01 3kkz n PHE 40 Cb 0.13 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 38.55 3kkz n PHE 40 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3kkz s ILE 41 N -2.21 5.25 -0.87 4.37 1.01 -0.55 -4.95 121.20 123.24 3kkz s ILE 41 Ca 0.27 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.94 3kkz s ILE 41 Cb 0.20 -3.73 0.30 0.00 0.01 0.00 0.00 42.46 39.23 3kkz s ILE 41 CO 0.42 -0.01 1.25 -0.90 0.00 0.00 0.00 174.94 175.70 3kkz n ASP 42 N 5.19 2.92 -0.61 3.58 5.75 -1.26 -4.60 116.55 127.53 3kkz n ASP 42 Ca -0.12 -2.03 0.09 0.00 -0.01 0.00 0.00 54.79 52.72 3kkz n ASP 42 Cb 0.50 -0.23 0.05 0.00 -1.03 0.00 0.00 41.12 40.40 3kkz n ASP 42 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3kkz n ASN 43 N 0.45 2.23 -4.80 -1.12 6.94 -1.26 -5.04 115.26 112.66 3kkz n ASN 43 Ca 0.11 -1.62 -0.37 0.00 -0.02 0.00 0.00 54.58 52.68 3kkz n ASN 43 Cb 0.43 0.15 -0.06 0.00 -2.36 0.00 0.00 39.78 37.94 3kkz n ASN 43 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3kkz s LEU 44 N -1.68 4.45 0.00 -4.53 1.43 -1.26 -5.01 118.68 112.07 3kkz s LEU 44 Ca 0.19 1.50 0.04 0.00 -1.03 0.00 0.00 54.13 54.83 3kkz s LEU 44 Cb 0.15 -3.44 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 3kkz s LEU 44 CO 0.29 0.11 0.23 0.35 0.23 0.00 0.00 176.35 177.56 3kkz n THR 45 N 1.11 0.00 0.32 5.49 -2.24 -1.26 -5.01 114.28 112.68 3kkz n THR 45 Ca -0.04 -1.63 0.20 0.00 -2.27 0.00 0.00 64.05 60.31 3kkz n THR 45 Cb 0.50 0.84 1.05 0.00 -2.10 0.00 0.00 70.33 70.62 3kkz n THR 45 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kkz h GLU 46 N 0.00 0.00 -0.04 -0.78 4.81 -1.98 -1.45 114.58 115.14 3kkz h GLU 46 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3kkz h GLU 46 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 3kkz h GLU 46 CO 0.24 0.01 0.00 1.63 -0.73 0.00 0.00 179.01 180.17 3kkz n LYS 47 N -3.30 1.94 -2.31 1.92 4.76 -1.26 -4.22 118.16 115.68 3kkz n LYS 47 Ca -0.02 -1.37 -0.37 0.00 -2.87 0.00 0.00 58.31 53.68 3kkz n LYS 47 Cb 0.12 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 3kkz n LYS 47 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3kkz s SER 48 N -1.95 6.27 -0.18 4.39 0.01 -0.55 -4.89 113.70 116.80 3kkz s SER 48 Ca 0.34 2.25 -0.02 0.00 1.31 0.00 0.00 55.95 59.83 3kkz s SER 48 Cb 0.20 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 3kkz s SER 48 CO 0.32 -0.85 -0.08 -0.76 0.41 0.00 0.00 173.24 172.28 3kkz s LEU 49 N -2.98 2.84 -0.02 2.44 1.43 -1.26 -1.49 118.68 119.64 3kkz s LEU 49 Ca 0.63 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 3kkz s LEU 49 Cb -0.27 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3kkz s LEU 49 CO 0.33 0.07 -0.21 -0.63 0.23 0.00 0.00 176.35 176.14 3kkz s ILE 50 N 0.93 1.66 -0.01 -0.59 1.01 0.12 -0.82 121.20 123.50 3kkz s ILE 50 Ca -0.01 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.81 3kkz s ILE 50 Cb -0.15 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 3kkz s ILE 50 CO 0.00 0.47 -0.19 0.00 0.00 0.00 0.00 174.94 175.22 3kkz s ALA 51 N -0.40 1.61 -0.28 9.38 0.00 -0.53 -0.65 121.76 130.88 3kkz s ALA 51 Ca 0.06 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 3kkz s ALA 51 Cb -0.09 -0.40 0.05 0.00 0.00 0.00 0.00 23.12 22.68 3kkz s ALA 51 CO -0.00 0.39 -0.04 0.34 0.00 0.00 0.00 175.76 176.45 3kkz s ASP 52 N -0.53 4.69 -0.11 0.00 2.15 0.27 0.21 116.67 123.35 3kkz s ASP 52 Ca 0.07 -1.25 -0.15 0.00 0.43 0.00 0.00 52.55 51.65 3kkz s ASP 52 Cb -0.08 -1.66 -0.05 0.00 -0.30 0.00 0.00 42.92 40.84 3kkz s ASP 52 CO -0.00 -0.22 0.38 -0.63 -0.17 0.00 0.00 175.17 174.52 3kkz s ILE 53 N 1.22 5.21 -0.99 4.11 -1.09 0.57 -0.68 121.20 129.55 3kkz s ILE 53 Ca -0.05 0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 59.07 3kkz s ILE 53 Cb -0.19 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 3kkz s ILE 53 CO -0.03 0.42 0.84 0.61 -1.23 0.00 0.00 174.94 175.55 3kkz n GLY 54 N 2.96 -0.20 0.09 6.18 0.00 0.73 -4.40 105.19 110.55 3kkz n GLY 54 Ca -0.11 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.03 3kkz n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkz n GLY 56 N 0.26 2.82 0.00 0.00 0.00 -1.26 -1.43 105.19 105.59 3kkz n GLY 56 Ca 0.03 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.79 3kkz n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kkz n THR 57 N 0.00 0.09 -0.74 2.61 -2.24 -1.26 -4.37 114.28 108.37 3kkz n THR 57 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3kkz n THR 57 Cb 0.00 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 3kkz n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kkz n GLY 58 N 1.05 0.83 0.23 3.38 0.00 -0.51 -3.53 105.19 106.63 3kkz n GLY 58 Ca 0.14 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 3kkz n GLY 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kkz h GLY 59 N 0.00 -0.21 2.00 -0.02 0.00 -1.78 -1.65 103.07 101.42 3kkz h GLY 59 Ca 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 3kkz h GLY 59 CO 0.00 -0.18 -0.38 0.06 0.00 0.00 0.00 176.54 176.04 3kkz h GLN 60 N -0.28 0.00 -1.45 4.80 -0.00 -1.88 -3.00 115.11 113.31 3kkz h GLN 60 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 3kkz h GLN 60 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 3kkz h GLN 60 CO -0.23 0.38 0.00 2.41 -0.00 0.00 0.00 178.83 181.39 3kkz n THR 61 N -3.99 0.42 0.00 1.86 -1.04 -0.62 -1.01 114.28 109.90 3kkz n THR 61 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3kkz n THR 61 Cb 0.42 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 3kkz n THR 61 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3kkz n VAL 63 N 0.73 0.00 0.02 12.58 0.31 -1.14 -0.20 118.33 130.63 3kkz n VAL 63 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3kkz n VAL 63 Cb 0.22 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.11 3kkz n VAL 63 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3kkz h LEU 64 N 0.00 -0.26 -1.66 7.52 6.46 -1.38 -2.74 115.31 123.25 3kkz h LEU 64 Ca 0.00 0.05 0.05 0.00 -0.12 0.00 0.00 57.88 57.86 3kkz h LEU 64 Cb 0.00 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 3kkz h LEU 64 CO 0.00 -0.12 0.31 0.00 -0.62 0.00 0.00 178.44 178.01 3kkz h ALA 65 N 0.92 1.90 0.00 1.25 0.00 -0.84 -0.22 119.26 122.26 3kkz h ALA 65 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kkz h ALA 65 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kkz h ALA 65 CO -0.13 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.56 3kkz n GLY 66 N -1.50 -1.14 0.01 0.00 0.00 -1.04 -3.43 105.19 98.09 3kkz n GLY 66 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kkz n GLY 66 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kkz n HIS 67 N -1.45 0.00 -4.28 1.61 8.25 -0.14 -5.02 115.22 114.19 3kkz n HIS 67 Ca 0.06 -0.33 -0.15 0.00 -0.26 0.00 0.00 57.72 57.03 3kkz n HIS 67 Cb 0.22 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.19 3kkz n HIS 67 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3kkz s VAL 68 N -0.70 1.30 -0.63 1.59 -7.23 -0.90 -5.07 120.40 108.77 3kkz s VAL 68 Ca 0.01 -2.10 0.19 0.00 -1.81 0.00 0.00 61.98 58.27 3kkz s VAL 68 Cb 0.01 -1.92 -0.23 0.00 0.56 0.00 0.00 36.38 34.80 3kkz s VAL 68 CO 0.00 -0.69 0.69 0.35 -0.31 0.00 0.00 175.10 175.14 3kkz n THR 69 N -0.25 0.00 -1.17 5.32 -2.24 -1.26 -4.87 114.28 109.81 3kkz n THR 69 Ca -0.09 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3kkz n THR 69 Cb 0.61 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3kkz n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kkz n GLY 70 N 1.43 -0.44 3.80 3.38 0.00 -1.24 -4.68 105.19 107.44 3kkz n GLY 70 Ca 0.01 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 3kkz n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kkz s GLN 71 N -2.01 4.15 -0.11 1.61 -1.52 -0.56 -4.92 119.66 116.31 3kkz s GLN 71 Ca 0.00 0.62 0.02 0.00 -1.95 0.00 0.00 55.36 54.05 3kkz s GLN 71 Cb 0.00 -3.27 0.01 0.00 -0.22 0.00 0.00 33.01 29.53 3kkz s GLN 71 CO 0.00 0.56 -0.16 0.08 -0.25 0.00 0.00 175.29 175.52 3kkz s VAL 72 N -0.79 1.58 -0.20 1.09 1.01 0.83 -0.71 120.40 123.22 3kkz s VAL 72 Ca 0.27 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 3kkz s VAL 72 Cb -0.18 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3kkz s VAL 72 CO 0.16 0.46 -0.11 -0.89 0.00 0.00 0.00 175.10 174.72 3kkz s THR 73 N 0.88 2.82 -0.06 3.92 2.01 0.17 -1.74 115.64 123.63 3kkz s THR 73 Ca -0.08 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.08 3kkz s THR 73 Cb -0.15 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 3kkz s THR 73 CO -0.00 0.48 0.39 -0.83 -0.69 0.00 0.00 174.62 173.96 3kkz s GLY 74 N 1.34 2.39 -0.07 4.40 0.00 0.49 -0.56 107.32 115.30 3kkz s GLY 74 Ca 0.04 -0.28 0.04 0.00 0.00 0.00 0.00 44.72 44.52 3kkz s GLY 74 CO -0.07 0.32 -0.19 -2.27 0.00 0.00 0.00 173.10 170.89 3kkz s LEU 75 N -0.39 1.93 0.02 0.66 0.20 0.14 -0.11 118.68 121.13 3kkz s LEU 75 Ca 0.22 -0.43 -0.10 0.00 0.69 0.00 0.00 54.13 54.51 3kkz s LEU 75 Cb -0.15 -1.14 0.01 0.00 -0.43 0.00 0.00 46.19 44.48 3kkz s LEU 75 CO 0.10 0.14 0.21 -0.62 -0.29 0.00 0.00 176.35 175.89 3kkz s ASP 76 N 0.26 -0.02 0.28 3.68 -1.08 -0.82 -0.19 116.67 118.77 3kkz s ASP 76 Ca -0.11 -0.24 0.06 0.00 -0.52 0.00 0.00 52.55 51.74 3kkz s ASP 76 Cb -0.15 0.28 0.41 0.00 -1.46 0.00 0.00 42.92 42.00 3kkz s ASP 76 CO 0.05 -0.50 1.66 0.15 0.52 0.00 0.00 175.17 177.05 3kkz h PHE 77 N 3.68 0.26 -3.58 -5.34 3.57 -1.78 -1.38 116.94 112.36 3kkz h PHE 77 Ca -0.31 -0.08 -0.64 0.00 3.53 0.00 0.00 57.97 60.47 3kkz h PHE 77 Cb 1.19 -0.05 -0.14 0.00 2.79 0.00 0.00 35.95 39.73 3kkz h PHE 77 CO 0.52 0.65 0.09 -0.51 -2.23 0.00 0.00 178.31 176.83 3kkz s LEU 78 N -8.13 4.36 0.45 0.59 1.43 -1.26 -4.69 118.68 111.44 3kkz s LEU 78 Ca -0.04 -0.06 0.11 0.00 -1.03 0.00 0.00 54.13 53.11 3kkz s LEU 78 Cb 0.13 -2.72 1.01 0.00 0.03 0.00 0.00 46.19 44.65 3kkz s LEU 78 CO 0.78 -0.63 2.08 0.77 0.23 0.00 0.00 176.35 179.58 3kkz h SER 79 N 8.59 0.27 -0.95 2.29 4.64 -1.98 -1.26 113.55 125.15 3kkz h SER 79 Ca -0.26 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3kkz h SER 79 Cb 1.11 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 3kkz h SER 79 CO 0.84 0.21 0.63 1.23 -0.87 0.00 0.00 176.83 178.87 3kkz h GLY 80 N 0.35 1.34 0.96 -0.77 0.00 -1.98 0.21 103.07 103.18 3kkz h GLY 80 Ca 0.08 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 3kkz h GLY 80 CO -0.02 0.49 -0.14 0.74 0.00 0.00 0.00 176.54 177.61 3kkz h PHE 81 N 1.29 0.83 -0.33 5.60 0.04 -1.58 -2.80 116.94 120.00 3kkz h PHE 81 Ca 0.35 -0.20 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 3kkz h PHE 81 Cb -0.15 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 37.79 3kkz h PHE 81 CO -0.00 0.91 -0.11 0.82 -0.60 0.00 0.00 178.31 179.33 3kkz h ILE 82 N 0.51 1.23 -0.90 -0.55 1.08 -1.04 0.79 117.51 118.64 3kkz h ILE 82 Ca 0.08 -1.02 0.01 0.00 -0.39 0.00 0.00 64.86 63.54 3kkz h ILE 82 Cb 0.68 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 3kkz h ILE 82 CO 0.05 0.34 0.59 0.44 -0.69 0.00 0.00 178.15 178.88 3kkz h ASP 83 N 0.51 1.03 -0.29 1.72 3.32 -0.53 -0.19 116.42 121.98 3kkz h ASP 83 Ca 0.10 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 3kkz h ASP 83 Cb 0.49 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3kkz h ASP 83 CO 0.03 0.75 -0.29 0.40 -1.72 0.00 0.00 179.24 178.41 3kkz h ILE 84 N 1.22 1.30 -0.28 0.35 2.04 -1.13 -1.00 117.51 120.01 3kkz h ILE 84 Ca 0.33 -1.46 0.07 0.00 1.00 0.00 0.00 64.86 64.80 3kkz h ILE 84 Cb -0.14 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 3kkz h ILE 84 CO -0.07 0.47 -0.21 0.15 0.00 0.00 0.00 178.15 178.49 3kkz h PHE 85 N 0.46 -0.53 -0.20 1.37 3.04 -0.56 0.17 116.94 120.69 3kkz h PHE 85 Ca 0.05 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.91 3kkz h PHE 85 Cb 0.86 0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 3kkz h PHE 85 CO 0.07 -0.28 -0.41 -0.91 -2.02 0.00 0.00 178.31 174.76 3kkz h ASN 86 N -0.19 0.48 -0.81 0.41 2.35 -0.98 -1.28 115.58 115.56 3kkz h ASN 86 Ca 0.15 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3kkz h ASN 86 Cb 0.42 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.61 3kkz h ASN 86 CO -0.39 0.84 0.52 -0.09 -1.65 0.00 0.00 177.43 176.66 3kkz h ARG 87 N 0.38 1.08 -0.25 0.81 2.43 -0.66 -0.15 114.38 118.01 3kkz h ARG 87 Ca 0.03 -0.08 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 3kkz h ARG 87 Cb 0.88 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3kkz h ARG 87 CO 0.07 0.74 -0.56 -0.91 -1.51 0.00 0.00 179.97 177.80 3kkz h ASN 88 N 1.11 0.87 -0.82 -3.80 2.35 -0.64 -1.06 115.58 113.59 3kkz h ASN 88 Ca 0.30 -0.47 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 3kkz h ASN 88 Cb -0.09 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 37.99 3kkz h ASN 88 CO -0.06 1.25 0.41 0.00 -1.65 0.00 0.00 177.43 177.37 3kkz h ALA 89 N 0.77 1.05 -0.44 -0.83 0.00 -1.08 -1.82 119.26 116.91 3kkz h ALA 89 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3kkz h ALA 89 Cb 1.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3kkz h ALA 89 CO 0.12 0.61 0.18 -0.09 0.00 0.00 0.00 179.25 180.06 3kkz h ARG 90 N 1.16 0.65 -0.93 0.00 2.43 -0.84 -0.61 114.38 116.24 3kkz h ARG 90 Ca 0.28 -0.11 0.09 0.00 -0.81 0.00 0.00 59.98 59.43 3kkz h ARG 90 Cb 0.10 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.47 3kkz h ARG 90 CO -0.04 0.59 0.58 1.96 -1.51 0.00 0.00 179.97 181.55 3kkz h GLN 91 N 0.56 0.96 -0.00 0.20 4.20 -0.86 -1.84 115.11 118.33 3kkz h GLN 91 Ca 0.15 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3kkz h GLN 91 Cb 0.18 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3kkz h GLN 91 CO -0.01 0.64 -0.05 0.43 -0.67 0.00 0.00 178.83 179.16 3kkz n SER 92 N -4.62 0.44 -1.61 1.46 7.64 -0.72 -4.92 113.62 111.31 3kkz n SER 92 Ca 0.15 -0.79 -0.14 0.00 1.01 0.00 0.00 58.87 59.11 3kkz n SER 92 Cb 0.25 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 3kkz n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kkz n GLY 93 N 1.18 -0.20 1.21 0.23 0.00 -0.69 -4.92 105.19 102.00 3kkz n GLY 93 Ca 0.18 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3kkz n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kkz n LEU 94 N -2.03 3.63 0.00 0.99 4.77 -0.31 -4.62 117.00 119.44 3kkz n LEU 94 Ca -0.16 -1.70 0.08 0.00 -0.03 0.00 0.00 56.01 54.20 3kkz n LEU 94 Cb 0.62 -0.34 0.36 0.00 -2.33 0.00 0.00 43.42 41.74 3kkz n LEU 94 CO 0.20 0.84 0.76 0.00 -1.33 0.00 0.00 177.39 177.85 3kkz n GLN 95 N 1.52 0.03 0.25 3.23 6.02 -1.26 -0.77 117.38 126.40 3kkz n GLN 95 Ca 0.21 0.21 0.11 0.00 -0.01 0.00 0.00 57.00 57.51 3kkz n GLN 95 Cb 0.61 -1.50 0.63 0.00 1.02 0.00 0.00 30.24 31.00 3kkz n GLN 95 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3kkz h ASN 96 N 0.00 0.00 0.00 1.08 2.35 -1.96 -3.35 115.58 113.71 3kkz h ASN 96 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kkz h ASN 96 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3kkz h ASN 96 CO 0.00 0.17 -0.71 0.54 -1.65 0.00 0.00 177.43 175.78 3kkz n ARG 97 N -3.68 1.71 -4.03 0.81 1.74 -0.41 -5.03 116.66 107.77 3kkz n ARG 97 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 3kkz n ARG 97 Cb 0.29 -0.84 -0.16 0.00 -1.02 0.00 0.00 32.46 30.72 3kkz n ARG 97 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kkz s VAL 98 N -1.50 1.63 -0.02 1.55 1.01 0.05 -0.12 120.40 123.01 3kkz s VAL 98 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3kkz s VAL 98 Cb 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3kkz s VAL 98 CO 0.00 0.47 -0.03 -0.89 0.00 0.00 0.00 175.10 174.65 3kkz s THR 99 N 1.46 0.34 -0.14 3.92 2.01 -0.71 -4.36 115.64 118.16 3kkz s THR 99 Ca 0.05 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 3kkz s THR 99 Cb -0.13 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 3kkz s THR 99 CO -0.11 0.14 0.04 -0.83 -0.69 0.00 0.00 174.62 173.16 3kkz s GLY 100 N 0.40 1.90 0.07 4.40 0.00 -1.26 -0.38 107.32 112.45 3kkz s GLY 100 Ca -0.04 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 43.96 3kkz s GLY 100 CO -0.01 -0.25 -0.13 -0.26 0.00 0.00 0.00 173.10 172.45 3kkz s ILE 101 N -0.28 1.06 -0.02 0.90 -4.36 0.84 -4.93 121.20 114.41 3kkz s ILE 101 Ca 0.07 -1.31 -0.23 0.00 -0.26 0.00 0.00 60.65 58.92 3kkz s ILE 101 Cb -0.12 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 3kkz s ILE 101 CO 0.02 -0.26 0.70 -0.69 0.24 0.00 0.00 174.94 174.94 3kkz s VAL 102 N -1.36 4.93 0.02 8.37 1.01 -1.26 -1.95 120.40 130.16 3kkz s VAL 102 Ca -0.02 1.45 -0.28 0.00 0.00 0.00 0.00 61.98 63.13 3kkz s VAL 102 Cb -0.10 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.35 3kkz s VAL 102 CO 0.02 0.32 1.24 -0.83 0.00 0.00 0.00 175.10 175.84 3kkz s GLY 103 N 0.37 -0.19 0.00 4.51 0.00 -0.52 -4.88 107.32 106.61 3kkz s GLY 103 Ca 0.36 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.28 3kkz s GLY 103 CO 0.19 3.10 0.00 -1.26 0.00 0.00 0.00 173.10 175.13 3kkz n SER 104 N -0.88 0.00 0.00 1.64 2.88 -1.26 -2.31 113.62 113.69 3kkz n SER 104 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3kkz n SER 104 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 3kkz n SER 104 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3kkz n ASP 106 N 0.00 0.00 -2.86 -3.46 5.75 -1.26 -3.27 116.55 111.45 3kkz n ASP 106 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.66 3kkz n ASP 106 Cb 0.00 -0.04 0.05 0.00 -1.03 0.00 0.00 41.12 40.10 3kkz n ASP 106 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3kkz n ASP 107 N 0.25 -1.47 -4.77 -1.12 2.03 -1.26 -5.14 116.55 105.07 3kkz n ASP 107 Ca 0.00 -3.48 -0.37 0.00 0.52 0.00 0.00 54.79 51.45 3kkz n ASP 107 Cb 0.00 1.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.60 3kkz n ASP 107 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kkz s LEU 108 N -2.21 3.99 0.00 -2.67 1.43 -1.20 -4.94 118.68 113.07 3kkz s LEU 108 Ca 0.28 2.40 0.26 0.00 -1.03 0.00 0.00 54.13 56.03 3kkz s LEU 108 Cb 0.30 -4.24 1.07 0.00 0.03 0.00 0.00 46.19 43.35 3kkz s LEU 108 CO -0.07 -1.04 1.75 -0.81 0.23 0.00 0.00 176.35 176.41 3kkz n PRO 109 N -0.58 1.57 -1.90 1.29 -0.04 -1.26 -4.97 135.00 129.11 3kkz n PRO 109 Ca 0.08 -0.83 -0.31 0.00 -0.04 0.00 0.00 63.50 62.39 3kkz n PRO 109 Cb 0.47 -1.45 0.01 0.00 -0.04 0.00 0.00 33.50 32.50 3kkz n PRO 109 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kkz s PHE 110 N -1.94 3.40 0.62 0.54 0.08 -1.26 -5.06 117.98 114.36 3kkz s PHE 110 Ca 0.37 1.38 -0.11 0.00 0.12 0.00 0.00 56.93 58.69 3kkz s PHE 110 Cb 0.20 -2.80 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 3kkz s PHE 110 CO 0.31 -0.82 1.03 1.03 -0.10 0.00 0.00 175.22 176.67 3kkz s ARG 111 N -4.84 3.58 0.33 0.44 0.52 -1.26 -5.01 118.95 112.72 3kkz s ARG 111 Ca 0.57 0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 56.26 3kkz s ARG 111 Cb -0.12 -2.08 -0.11 0.00 0.52 0.00 0.00 34.95 33.16 3kkz s ARG 111 CO 0.49 -0.58 1.57 -0.80 0.02 0.00 0.00 175.30 175.99 3kkz s ASN 112 N -4.13 6.33 -1.32 0.23 0.02 -1.26 -2.61 114.94 112.20 3kkz s ASN 112 Ca 0.55 3.02 -0.02 0.00 -1.02 0.00 0.00 52.86 55.39 3kkz s ASN 112 Cb -0.11 -2.65 0.01 0.00 0.02 0.00 0.00 41.25 38.52 3kkz s ASN 112 CO 0.53 -0.92 0.19 -0.62 0.02 0.00 0.00 177.10 176.30 3kkz n GLU 113 N 1.49 -2.76 0.10 -0.60 1.02 0.54 -4.88 120.64 115.56 3kkz n GLU 113 Ca 0.05 0.71 -0.19 0.00 -0.02 0.00 0.00 57.16 57.71 3kkz n GLU 113 Cb 0.38 -5.38 -0.12 0.00 -0.02 0.00 0.00 31.44 26.30 3kkz n GLU 113 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3kkz h GLU 114 N -0.40 0.43 -5.86 3.49 4.81 -1.07 -3.36 114.58 112.62 3kkz h GLU 114 Ca -0.40 -0.63 -0.66 0.00 -0.13 0.00 0.00 59.36 57.54 3kkz h GLU 114 Cb 1.28 0.22 -0.09 0.00 0.63 0.00 0.00 28.75 30.79 3kkz h GLU 114 CO 0.46 1.28 -0.54 -0.51 -0.73 0.00 0.00 179.01 178.97 3kkz s LEU 115 N -7.51 4.06 0.18 1.64 1.43 -0.17 -4.74 118.68 113.57 3kkz s LEU 115 Ca -0.06 0.27 0.19 0.00 -1.03 0.00 0.00 54.13 53.49 3kkz s LEU 115 Cb 0.06 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 3kkz s LEU 115 CO 0.90 0.33 1.07 0.44 0.23 0.00 0.00 176.35 179.32 3kkz h ASP 116 N 4.48 0.00 -2.94 2.29 3.32 -1.29 0.18 116.42 122.46 3kkz h ASP 116 Ca -0.51 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 3kkz h ASP 116 Cb 1.20 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.52 3kkz h ASP 116 CO 0.61 0.35 -0.12 -0.22 -1.72 0.00 0.00 179.24 178.14 3kkz s LEU 117 N -5.83 -0.68 -0.20 1.55 2.96 -1.19 -1.36 118.68 113.93 3kkz s LEU 117 Ca -0.00 1.29 -0.03 0.00 -0.22 0.00 0.00 54.13 55.17 3kkz s LEU 117 Cb 0.08 1.98 -0.01 0.00 0.50 0.00 0.00 46.19 48.75 3kkz s LEU 117 CO 0.78 -0.22 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.89 3kkz s ILE 118 N 1.75 3.27 -0.00 6.68 1.01 -0.13 -1.46 121.20 132.33 3kkz s ILE 118 Ca -0.09 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 3kkz s ILE 118 Cb -0.07 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3kkz s ILE 118 CO -0.17 0.45 0.07 0.86 0.00 0.00 0.00 174.94 176.15 3kkz s TRP 119 N 1.27 3.26 -0.30 3.97 -0.11 0.13 -0.46 118.94 126.70 3kkz s TRP 119 Ca 0.03 0.19 -0.03 0.00 1.22 0.00 0.00 56.10 57.51 3kkz s TRP 119 Cb -0.14 -1.73 0.17 0.00 -1.50 0.00 0.00 33.47 30.27 3kkz s TRP 119 CO -0.03 0.54 0.60 0.45 -4.62 0.00 0.00 176.95 173.89 3kkz s SER 120 N -1.75 -1.23 -0.19 5.86 0.15 -0.06 -0.32 113.70 116.17 3kkz s SER 120 Ca 0.23 1.00 -0.06 0.00 0.70 0.00 0.00 55.95 57.82 3kkz s SER 120 Cb -0.12 2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 66.29 3kkz s SER 120 CO 0.14 -0.25 0.03 -1.61 1.20 0.00 0.00 173.24 172.74 3kkz s GLU 121 N 2.85 3.78 -1.53 5.44 2.02 -1.26 -1.28 118.70 128.71 3kkz s GLU 121 Ca 0.14 -0.45 -0.14 0.00 0.02 0.00 0.00 54.97 54.55 3kkz s GLU 121 Cb -0.14 -3.13 0.08 0.00 0.10 0.00 0.00 34.13 31.04 3kkz s GLU 121 CO -0.20 0.14 0.99 0.41 0.02 0.00 0.00 175.26 176.62 3kkz n GLY 122 N 3.90 -0.50 0.00 -1.39 0.00 -1.17 -4.80 105.19 101.22 3kkz n GLY 122 Ca -0.17 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kkz n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkz n ALA 123 N -4.69 0.25 0.28 4.61 0.00 -1.26 -4.86 120.51 114.84 3kkz n ALA 123 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.64 3kkz n ALA 123 Cb 0.53 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.82 3kkz n ALA 123 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3kkz h ILE 124 N 0.00 0.38 -0.03 0.00 2.10 -1.86 -1.74 117.51 116.36 3kkz h ILE 124 Ca 0.00 -0.36 0.01 0.00 1.08 0.00 0.00 64.86 65.59 3kkz h ILE 124 Cb 0.00 1.26 -0.00 0.00 -1.09 0.00 0.00 36.82 36.99 3kkz h ILE 124 CO 0.00 0.07 0.11 0.10 -1.08 0.00 0.00 178.15 177.34 3kkz h TYR 125 N 0.00 0.00 -0.04 2.19 -0.00 -1.89 0.13 116.97 117.36 3kkz h TYR 125 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 3kkz h TYR 125 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.97 3kkz h TYR 125 CO 0.00 0.00 -0.17 -0.91 -0.00 0.00 0.00 178.16 177.08 3kkz h ASN 126 N 0.00 0.05 0.00 0.10 2.35 -1.70 -3.04 115.58 113.34 3kkz h ASN 126 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kkz h ASN 126 Cb 0.23 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3kkz h ASN 126 CO -0.00 0.23 -0.91 2.30 -1.65 0.00 0.00 177.43 177.40 3kkz n ILE 127 N -4.31 0.00 0.00 2.81 -5.35 -0.57 -5.09 119.36 106.86 3kkz n ILE 127 Ca -0.02 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 3kkz n ILE 127 Cb 0.25 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 3kkz n ILE 127 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kkz n GLY 128 N 1.56 2.32 0.45 3.28 0.00 0.34 -4.65 105.19 108.48 3kkz n GLY 128 Ca 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 3kkz n GLY 128 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kkz h PHE 129 N 0.00 -1.49 -0.67 1.61 3.57 -1.88 -0.47 116.94 117.61 3kkz h PHE 129 Ca 0.00 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3kkz h PHE 129 Cb 0.00 0.67 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 3kkz h PHE 129 CO 0.00 -0.52 0.19 0.93 -2.23 0.00 0.00 178.31 176.68 3kkz h GLU 130 N -0.53 1.04 -0.44 1.11 5.08 -1.94 -0.68 114.58 118.21 3kkz h GLU 130 Ca 0.06 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3kkz h GLU 130 Cb 0.66 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3kkz h GLU 130 CO -0.45 0.90 0.20 -0.09 -1.00 0.00 0.00 179.01 178.57 3kkz h ARG 131 N 0.99 0.64 -0.33 2.33 2.43 -1.74 -0.65 114.38 118.05 3kkz h ARG 131 Ca 0.22 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3kkz h ARG 131 Cb 0.31 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3kkz h ARG 131 CO -0.00 0.57 0.16 0.78 -1.51 0.00 0.00 179.97 179.97 3kkz h GLY 132 N 0.57 0.51 0.46 2.80 0.00 -0.74 0.21 103.07 106.88 3kkz h GLY 132 Ca 0.15 -0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.33 3kkz h GLY 132 CO -0.02 0.24 0.36 1.41 0.00 0.00 0.00 176.54 178.53 3kkz h LEU 133 N 0.40 0.47 -0.05 3.11 3.38 -0.88 -0.43 115.31 121.32 3kkz h LEU 133 Ca 0.11 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3kkz h LEU 133 Cb 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kkz h LEU 133 CO -0.02 0.27 -0.28 0.78 0.09 0.00 0.00 178.44 179.28 3kkz h ASN 134 N 0.61 0.33 1.16 -0.43 2.35 -0.77 -3.25 115.58 115.58 3kkz h ASN 134 Ca 0.36 -0.67 -0.18 0.00 -0.55 0.00 0.00 56.30 55.26 3kkz h ASN 134 Cb 0.38 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3kkz h ASN 134 CO -0.27 0.95 -0.84 -0.33 -1.65 0.00 0.00 177.43 175.29 3kkz h GLU 135 N -0.26 0.00 0.00 0.81 5.08 -0.46 -3.28 114.58 116.47 3kkz h GLU 135 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kkz h GLU 135 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3kkz h GLU 135 CO 0.06 0.83 -0.34 -1.49 -1.00 0.00 0.00 179.01 177.07 3kkz h TRP 136 N 0.00 0.00 -0.97 4.33 6.55 -1.21 -3.36 115.95 121.29 3kkz h TRP 136 Ca -0.01 0.00 0.12 0.00 0.95 0.00 0.00 58.89 59.95 3kkz h TRP 136 Cb 1.64 0.00 -0.08 0.00 -0.86 0.00 0.00 29.16 29.86 3kkz h TRP 136 CO 0.00 0.00 0.62 -0.09 -1.05 0.00 0.00 178.44 177.92 3kkz h ARG 137 N 0.00 0.90 0.00 0.49 2.43 -1.62 -2.17 114.38 114.42 3kkz h ARG 137 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3kkz h ARG 137 Cb 0.80 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3kkz h ARG 137 CO 0.00 0.60 -0.08 1.57 -1.51 0.00 0.00 179.97 180.54 3kkz h LYS 138 N 0.93 0.00 0.00 0.20 2.10 -1.81 -2.20 116.57 115.79 3kkz h LYS 138 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 3kkz h LYS 138 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 3kkz h LYS 138 CO -0.25 0.08 -0.08 0.66 -2.00 0.00 0.00 179.45 177.86 3kkz n TYR 139 N -3.52 0.25 -3.40 0.07 4.01 -0.82 -0.33 117.16 113.42 3kkz n TYR 139 Ca -0.02 0.07 -0.38 0.00 -0.16 0.00 0.00 57.90 57.42 3kkz n TYR 139 Cb 0.21 -0.59 -0.06 0.00 -0.31 0.00 0.00 39.34 38.59 3kkz n TYR 139 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kkz s LEU 140 N -3.43 4.49 0.75 7.72 1.43 -0.83 -1.00 118.68 127.81 3kkz s LEU 140 Ca 0.12 1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 54.17 3kkz s LEU 140 Cb 0.17 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.67 3kkz s LEU 140 CO 0.57 0.29 1.17 0.29 0.23 0.00 0.00 176.35 178.91 3kkz n LYS 141 N 1.71 0.50 -1.70 1.70 5.02 0.63 -4.07 118.16 121.95 3kkz n LYS 141 Ca -0.12 0.24 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 3kkz n LYS 141 Cb 0.52 -2.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.08 3kkz n LYS 141 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kkz n LYS 142 N -2.59 2.53 -0.91 1.97 5.02 -1.26 -0.75 118.16 122.17 3kkz n LYS 142 Ca 0.14 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 3kkz n LYS 142 Cb 0.50 -2.72 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 3kkz n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kkz n GLY 143 N 3.56 0.82 3.78 0.72 0.00 -0.09 -5.04 105.19 108.94 3kkz n GLY 143 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3kkz n GLY 143 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kkz s GLY 144 N -1.94 1.63 0.07 -0.02 0.00 0.07 -4.67 107.32 102.47 3kkz s GLY 144 Ca 0.00 -0.83 0.08 0.00 0.00 0.00 0.00 44.72 43.97 3kkz s GLY 144 CO 0.00 -0.12 -0.23 -0.19 0.00 0.00 0.00 173.10 172.56 3kkz s TYR 145 N -3.38 1.98 -0.11 1.90 1.51 -0.46 -0.84 117.35 117.94 3kkz s TYR 145 Ca 0.69 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 56.34 3kkz s TYR 145 Cb -0.10 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 3kkz s TYR 145 CO 0.54 0.15 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.89 3kkz s LEU 146 N -1.46 3.10 -0.24 -1.29 0.20 0.59 -0.95 118.68 118.62 3kkz s LEU 146 Ca 0.09 -0.13 -0.02 0.00 0.69 0.00 0.00 54.13 54.76 3kkz s LEU 146 Cb -0.09 -1.71 0.08 0.00 -0.43 0.00 0.00 46.19 44.04 3kkz s LEU 146 CO 0.03 0.25 0.06 0.00 -0.29 0.00 0.00 176.35 176.40 3kkz s ALA 147 N -0.13 1.17 0.00 5.97 0.00 0.39 -0.16 121.76 129.00 3kkz s ALA 147 Ca 0.01 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3kkz s ALA 147 Cb -0.13 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 3kkz s ALA 147 CO 0.03 -1.39 -0.08 0.14 0.00 0.00 0.00 175.76 174.46 3kkz s VAL 148 N 1.79 0.60 -0.10 0.00 -7.23 -0.06 -0.88 120.40 114.53 3kkz s VAL 148 Ca 0.04 -0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 59.71 3kkz s VAL 148 Cb -0.17 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 3kkz s VAL 148 CO -0.17 0.08 0.05 -0.94 -0.31 0.00 0.00 175.10 173.81 3kkz s SER 149 N -0.43 5.62 -0.01 4.85 1.04 -0.40 0.25 113.70 124.61 3kkz s SER 149 Ca 0.01 0.25 -0.08 0.00 0.48 0.00 0.00 55.95 56.61 3kkz s SER 149 Cb -0.04 -1.67 0.01 0.00 0.10 0.00 0.00 66.02 64.42 3kkz s SER 149 CO -0.00 0.39 0.17 -0.70 0.98 0.00 0.00 173.24 174.08 3kkz s GLU 150 N -0.93 0.48 0.24 4.02 2.56 -0.19 -3.07 118.70 121.80 3kkz s GLU 150 Ca 0.14 -0.27 -0.31 0.00 0.00 0.00 0.00 54.97 54.53 3kkz s GLU 150 Cb -0.12 0.20 -0.12 0.00 2.00 0.00 0.00 34.13 36.10 3kkz s GLU 150 CO 0.03 -0.11 1.68 0.00 -0.56 0.00 0.00 175.26 176.29 3kkz s SER 152 N 0.92 1.00 0.31 0.00 0.01 -0.02 -4.14 113.70 111.78 3kkz s SER 152 Ca 0.71 -0.30 -0.27 0.00 1.31 0.00 0.00 55.95 57.40 3kkz s SER 152 Cb -0.50 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 65.57 3kkz s SER 152 CO 0.38 0.01 0.98 0.26 0.41 0.00 0.00 173.24 175.28 3kkz s TRP 153 N -0.60 3.70 -0.93 2.43 0.23 -0.07 -1.65 118.94 122.06 3kkz s TRP 153 Ca -0.01 1.79 0.23 0.00 -2.03 0.00 0.00 56.10 56.08 3kkz s TRP 153 Cb -0.06 -3.01 0.05 0.00 0.03 0.00 0.00 33.47 30.48 3kkz s TRP 153 CO 0.00 0.07 1.08 1.19 0.96 0.00 0.00 176.95 180.25 3kkz n PHE 154 N 0.81 0.03 -4.20 -1.98 3.72 -0.13 -3.80 117.46 111.91 3kkz n PHE 154 Ca 0.01 0.01 -0.12 0.00 -0.05 0.00 0.00 57.45 57.30 3kkz n PHE 154 Cb 0.48 -0.15 -0.10 0.00 -0.94 0.00 0.00 39.48 38.77 3kkz n PHE 154 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kkz s THR 155 N -3.04 0.02 -0.19 4.37 -4.23 -1.26 -5.01 115.64 106.30 3kkz s THR 155 Ca 0.08 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.79 3kkz s THR 155 Cb 0.16 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 3kkz s THR 155 CO 0.80 -0.01 0.99 0.44 -0.54 0.00 0.00 174.62 176.30 3kkz h ASP 156 N 2.62 0.00 -4.52 3.99 3.32 -1.97 -3.47 116.42 116.39 3kkz h ASP 156 Ca -0.36 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.31 3kkz h ASP 156 Cb 1.25 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.58 3kkz h ASP 156 CO 0.53 0.28 -0.77 -1.61 -1.72 0.00 0.00 179.24 175.95 3kkz s GLU 157 N -3.15 0.76 0.24 3.56 2.02 -1.26 -5.16 118.70 115.72 3kkz s GLU 157 Ca -0.01 -0.88 -0.22 0.00 0.02 0.00 0.00 54.97 53.88 3kkz s GLU 157 Cb 0.09 -0.71 0.03 0.00 0.10 0.00 0.00 34.13 33.64 3kkz s GLU 157 CO 0.79 0.16 0.69 -0.98 0.02 0.00 0.00 175.26 175.94 3kkz s ARG 158 N -1.63 1.64 0.48 1.61 1.70 -1.26 -5.09 118.95 116.39 3kkz s ARG 158 Ca -0.03 -0.84 -0.24 0.00 -0.47 0.00 0.00 55.73 54.15 3kkz s ARG 158 Cb -0.10 0.60 -0.08 0.00 -0.57 0.00 0.00 34.95 34.81 3kkz s ARG 158 CO 0.02 -0.74 1.36 -2.30 -1.08 0.00 0.00 175.30 172.55 3kkz n PRO 159 N -0.44 1.98 -0.36 3.89 -0.02 -1.26 -4.85 135.00 133.94 3kkz n PRO 159 Ca -0.08 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.17 3kkz n PRO 159 Cb 0.61 -2.54 0.23 0.00 -0.02 0.00 0.00 33.50 31.77 3kkz n PRO 159 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kkz h ALA 160 N 1.94 1.50 -0.39 3.55 0.00 -2.01 -2.14 119.26 121.72 3kkz h ALA 160 Ca -0.50 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.43 3kkz h ALA 160 Cb 1.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3kkz h ALA 160 CO 0.59 0.28 0.23 1.49 0.00 0.00 0.00 179.25 181.84 3kkz h GLU 161 N 1.03 0.46 0.05 0.00 4.81 -1.99 0.24 114.58 119.18 3kkz h GLU 161 Ca 0.48 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.45 3kkz h GLU 161 Cb 0.41 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3kkz h GLU 161 CO -0.24 0.31 -1.03 0.97 -0.73 0.00 0.00 179.01 178.29 3kkz h ILE 162 N 0.48 1.52 -0.15 2.32 6.09 -1.89 -1.83 117.51 124.06 3kkz h ILE 162 Ca 0.15 -2.89 0.01 0.00 -1.37 0.00 0.00 64.86 60.76 3kkz h ILE 162 Cb -0.01 2.69 -0.01 0.00 0.47 0.00 0.00 36.82 39.96 3kkz h ILE 162 CO -0.06 0.84 0.06 -1.13 -3.07 0.00 0.00 178.15 174.79 3kkz h ASN 163 N 0.09 0.08 -0.77 2.19 -1.24 -1.11 -2.33 115.58 112.50 3kkz h ASN 163 Ca -0.07 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 3kkz h ASN 163 Cb 1.72 -0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.73 3kkz h ASN 163 CO 0.16 0.07 0.41 0.44 -1.29 0.00 0.00 177.43 177.22 3kkz h ASP 164 N 0.14 0.96 -0.28 1.15 3.32 -0.46 -2.68 116.42 118.58 3kkz h ASP 164 Ca 0.06 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.04 3kkz h ASP 164 Cb 0.02 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 3kkz h ASP 164 CO -0.05 0.79 0.06 0.15 -1.72 0.00 0.00 179.24 178.47 3kkz h PHE 165 N 1.06 0.10 0.00 4.55 3.04 -1.21 -2.25 116.94 122.24 3kkz h PHE 165 Ca 0.27 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.24 3kkz h PHE 165 Cb 0.05 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.55 3kkz h PHE 165 CO 0.00 0.03 0.00 0.91 -2.02 0.00 0.00 178.31 177.23 3kkz n TRP 166 N -5.08 0.00 0.00 0.41 7.02 -0.89 -1.24 117.44 117.66 3kkz n TRP 166 Ca -0.01 -0.61 0.00 0.00 -1.02 0.00 0.00 57.50 55.86 3kkz n TRP 166 Cb 0.12 -0.38 0.00 0.00 -2.42 0.00 0.00 31.31 28.62 3kkz n TRP 166 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3kkz n ASP 168 N 1.53 0.00 0.04 -0.99 2.03 -0.85 -0.28 116.55 118.04 3kkz n ASP 168 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 3kkz n ASP 168 Cb 0.33 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.58 3kkz n ASP 168 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kkz h ALA 169 N 0.00 -0.07 -0.91 -1.67 0.00 -1.44 -3.44 119.26 111.72 3kkz h ALA 169 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 3kkz h ALA 169 Cb 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 17.79 17.72 3kkz h ALA 169 CO 0.00 0.37 -0.42 -0.47 0.00 0.00 0.00 179.25 178.72 3kkz s TYR 170 N -2.41 -1.56 -1.23 0.00 5.04 0.62 -5.03 117.35 112.78 3kkz s TYR 170 Ca -0.14 0.01 0.15 0.00 -2.44 0.00 0.00 57.07 54.65 3kkz s TYR 170 Cb 0.01 0.29 0.72 0.00 0.35 0.00 0.00 41.96 43.33 3kkz s TYR 170 CO 0.82 -1.11 1.46 -0.35 -1.34 0.00 0.00 175.55 175.03 3kkz n PRO 171 N 3.91 0.12 0.00 4.97 -0.04 -1.10 -2.41 135.00 140.45 3kkz n PRO 171 Ca 0.12 0.18 0.15 0.00 -0.04 0.00 0.00 63.50 63.92 3kkz n PRO 171 Cb 0.57 -1.50 0.77 0.00 -0.04 0.00 0.00 33.50 33.31 3kkz n PRO 171 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kkz n GLU 172 N -1.38 0.72 -1.63 0.54 2.13 -1.26 -4.86 120.64 114.90 3kkz n GLU 172 Ca 0.06 -0.10 -0.44 0.00 0.66 0.00 0.00 57.16 57.34 3kkz n GLU 172 Cb 0.15 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.35 3kkz n GLU 172 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3kkz n ILE 173 N -1.06 2.03 -4.03 6.31 3.06 -1.01 -4.95 119.36 119.71 3kkz n ILE 173 Ca 0.18 -0.50 -0.10 0.00 -2.50 0.00 0.00 62.75 59.83 3kkz n ILE 173 Cb 0.21 -1.20 -0.06 0.00 0.54 0.00 0.00 39.64 39.13 3kkz n ILE 173 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3kkz s ASP 174 N -0.49 -0.05 0.71 9.51 -1.08 -1.26 -4.87 116.67 119.13 3kkz s ASP 174 Ca 0.58 -1.00 -0.11 0.00 -0.52 0.00 0.00 52.55 51.49 3kkz s ASP 174 Cb -0.64 0.55 0.01 0.00 -1.46 0.00 0.00 42.92 41.38 3kkz s ASP 174 CO 0.61 -1.08 1.07 0.42 0.52 0.00 0.00 175.17 176.70 3kkz s THR 175 N -4.04 3.89 0.13 1.71 -4.23 -1.26 -0.89 115.64 110.95 3kkz s THR 175 Ca 0.25 0.61 -0.14 0.00 -1.18 0.00 0.00 61.69 61.23 3kkz s THR 175 Cb 0.01 -3.42 -0.00 0.00 1.34 0.00 0.00 72.50 70.43 3kkz s THR 175 CO 0.09 -0.80 1.62 0.40 -0.54 0.00 0.00 174.62 175.39 3kkz h ILE 176 N -0.73 1.24 -0.95 2.99 2.04 -1.95 -0.67 117.51 119.48 3kkz h ILE 176 Ca -0.45 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.53 3kkz h ILE 176 Cb 1.22 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 3kkz h ILE 176 CO 0.59 0.31 0.59 -0.65 0.00 0.00 0.00 178.15 178.99 3kkz h PRO 177 N 0.58 1.27 -0.86 2.37 0.11 -1.93 0.61 132.00 134.14 3kkz h PRO 177 Ca 0.13 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3kkz h PRO 177 Cb 0.38 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 3kkz h PRO 177 CO 0.01 0.87 0.41 -0.91 -0.21 0.00 0.00 178.00 178.17 3kkz h ASN 178 N 1.30 1.12 -0.44 -2.05 -0.26 -1.85 -1.54 115.58 111.85 3kkz h ASN 178 Ca 0.34 -0.13 -0.14 0.00 -0.56 0.00 0.00 56.30 55.81 3kkz h ASN 178 Cb -0.10 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 36.87 3kkz h ASN 178 CO -0.07 0.94 -0.26 1.56 -1.06 0.00 0.00 177.43 178.54 3kkz h GLN 179 N 1.22 0.95 -0.83 0.81 4.20 -0.42 -1.57 115.11 119.47 3kkz h GLN 179 Ca 0.29 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3kkz h GLN 179 Cb 0.12 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 3kkz h GLN 179 CO -0.04 1.10 0.41 0.28 -0.67 0.00 0.00 178.83 179.91 3kkz h VAL 180 N 0.79 1.25 -0.59 -0.54 2.07 -0.78 -1.46 116.25 116.98 3kkz h VAL 180 Ca 0.09 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 3kkz h VAL 180 Cb 0.85 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3kkz h VAL 180 CO 0.07 0.30 0.29 0.00 0.02 0.00 0.00 177.57 178.26 3kkz h ALA 181 N 1.28 1.40 -0.20 1.67 0.00 -1.00 -1.95 119.26 120.46 3kkz h ALA 181 Ca 0.29 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3kkz h ALA 181 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kkz h ALA 181 CO -0.04 0.48 -0.42 0.87 0.00 0.00 0.00 179.25 180.14 3kkz h LYS 182 N 0.83 0.47 0.16 0.00 1.57 -0.52 0.66 116.57 119.74 3kkz h LYS 182 Ca 0.21 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kkz h LYS 182 Cb 0.07 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kkz h LYS 182 CO -0.03 0.81 -0.07 0.82 -0.57 0.00 0.00 179.45 180.41 3kkz h ILE 183 N 0.38 0.85 -0.19 1.86 1.08 -0.86 -1.18 117.51 119.46 3kkz h ILE 183 Ca 0.03 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 3kkz h ILE 183 Cb 0.90 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 3kkz h ILE 183 CO 0.08 0.01 0.10 -0.74 -0.69 0.00 0.00 178.15 176.90 3kkz h HIS 184 N -0.22 0.19 0.00 1.37 2.76 -1.20 -2.25 115.15 115.79 3kkz h HIS 184 Ca -0.02 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 3kkz h HIS 184 Cb 0.17 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 3kkz h HIS 184 CO -0.06 0.11 -0.14 -0.22 -1.30 0.00 0.00 177.93 176.32 3kkz h LYS 185 N 0.21 0.00 -0.00 5.26 3.64 -0.75 -1.27 116.57 123.66 3kkz h LYS 185 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3kkz h LYS 185 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3kkz h LYS 185 CO -0.05 0.14 -0.02 0.00 -2.27 0.00 0.00 179.45 177.26 3kkz n ALA 186 N -2.43 2.63 -0.50 5.00 0.00 -0.46 -4.90 120.51 119.86 3kkz n ALA 186 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3kkz n ALA 186 Cb 0.22 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3kkz n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kkz n GLY 187 N 1.14 1.50 3.30 0.00 0.00 -0.48 -4.89 105.19 105.76 3kkz n GLY 187 Ca 0.19 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 3kkz n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kkz s TYR 188 N -2.00 1.99 -0.17 1.61 2.02 -0.88 -3.04 117.35 116.89 3kkz s TYR 188 Ca 0.00 -0.39 -0.27 0.00 -0.37 0.00 0.00 57.07 56.03 3kkz s TYR 188 Cb 0.00 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 3kkz s TYR 188 CO 0.00 0.16 0.93 -1.17 -1.57 0.00 0.00 175.55 173.90 3kkz s LEU 189 N -1.47 4.18 -1.26 -1.29 2.96 0.62 -3.58 118.68 118.84 3kkz s LEU 189 Ca 0.09 1.32 -0.19 0.00 -0.22 0.00 0.00 54.13 55.13 3kkz s LEU 189 Cb -0.09 -3.39 0.02 0.00 0.50 0.00 0.00 46.19 43.22 3kkz s LEU 189 CO 0.03 -0.48 1.84 -0.81 -1.32 0.00 0.00 176.35 175.61 3kkz n PRO 190 N 5.43 2.67 -0.22 0.98 -0.04 -1.26 -1.20 135.00 141.36 3kkz n PRO 190 Ca 0.07 -2.95 -0.04 0.00 -0.04 0.00 0.00 63.50 60.54 3kkz n PRO 190 Cb 0.48 -3.53 0.14 0.00 -0.04 0.00 0.00 33.50 30.55 3kkz n PRO 190 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kkz h VAL 191 N 5.56 1.24 -2.53 0.52 2.07 -1.74 -3.44 116.25 117.94 3kkz h VAL 191 Ca 0.40 -0.78 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 3kkz h VAL 191 Cb 0.86 0.43 -0.23 0.00 -1.52 0.00 0.00 31.29 30.84 3kkz h VAL 191 CO 1.45 0.31 -0.12 0.00 0.02 0.00 0.00 177.57 179.23 3kkz s ALA 192 N -5.44 -1.24 -0.06 1.67 0.00 -0.81 -5.02 121.76 110.86 3kkz s ALA 192 Ca -0.11 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.21 3kkz s ALA 192 Cb 0.16 -0.78 0.04 0.00 0.00 0.00 0.00 23.12 22.54 3kkz s ALA 192 CO 0.82 -0.24 0.10 0.99 0.00 0.00 0.00 175.76 177.43 3kkz s THR 193 N 0.19 -0.17 -0.01 0.00 2.01 -1.26 0.06 115.64 116.45 3kkz s THR 193 Ca -0.01 0.39 -0.07 0.00 0.31 0.00 0.00 61.69 62.32 3kkz s THR 193 Cb -0.03 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.27 3kkz s THR 193 CO 0.01 0.16 0.14 0.72 -0.69 0.00 0.00 174.62 174.97 3kkz s PHE 194 N 2.19 -0.01 0.06 4.92 -0.12 -0.25 -4.97 117.98 119.79 3kkz s PHE 194 Ca 0.04 0.00 -0.26 0.00 -0.05 0.00 0.00 56.93 56.66 3kkz s PHE 194 Cb -0.12 -0.02 -0.06 0.00 -0.63 0.00 0.00 43.02 42.19 3kkz s PHE 194 CO -0.04 -0.24 0.81 0.42 -0.05 0.00 0.00 175.22 176.11 3kkz s ILE 195 N -1.04 4.67 0.21 -4.49 1.01 -1.26 0.20 121.20 120.50 3kkz s ILE 195 Ca -0.11 1.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.96 3kkz s ILE 195 Cb -0.06 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 3kkz s ILE 195 CO 0.01 0.36 1.28 -0.76 0.00 0.00 0.00 174.94 175.83 3kkz s LEU 196 N -0.09 4.43 0.78 2.97 1.02 -0.12 -4.93 118.68 122.74 3kkz s LEU 196 Ca 0.40 2.39 -0.14 0.00 0.02 0.00 0.00 54.13 56.80 3kkz s LEU 196 Cb -0.21 -3.61 0.06 0.00 0.02 0.00 0.00 46.19 42.45 3kkz s LEU 196 CO 0.25 -0.48 1.21 -2.65 0.02 0.00 0.00 176.35 174.70 3kkz n PRO 197 N 2.35 0.37 -0.07 1.29 -0.02 -1.26 -4.72 135.00 132.93 3kkz n PRO 197 Ca 0.05 0.20 0.15 0.00 -2.02 0.00 0.00 63.50 61.88 3kkz n PRO 197 Cb 0.43 -2.45 0.56 0.00 -0.02 0.00 0.00 33.50 32.02 3kkz n PRO 197 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kkz h GLU 198 N -0.61 0.27 0.00 -0.52 4.81 -2.00 -1.94 114.58 114.58 3kkz h GLU 198 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3kkz h GLU 198 Cb 1.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3kkz h GLU 198 CO 0.47 0.18 0.00 -2.95 -0.73 0.00 0.00 179.01 175.98 3kkz h ASN 199 N 0.28 0.00 0.32 1.04 -1.07 -1.97 -0.18 115.58 113.99 3kkz h ASN 199 Ca 0.28 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.60 3kkz h ASN 199 Cb 0.73 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.98 3kkz h ASN 199 CO -0.06 0.00 -0.25 0.00 0.07 0.00 0.00 177.43 177.18 3kkz h TRP 201 N 0.00 0.52 0.00 0.00 4.06 -1.20 -2.46 115.95 116.87 3kkz h TRP 201 Ca -0.00 -0.38 0.00 0.00 2.06 0.00 0.00 58.89 60.57 3kkz h TRP 201 Cb 0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 3kkz h TRP 201 CO 0.00 1.72 0.00 0.25 -3.56 0.00 0.00 178.44 176.85 3kkz n THR 202 N -3.49 0.00 -0.29 1.49 -2.24 -0.87 -0.20 114.28 108.69 3kkz n THR 202 Ca -0.29 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 3kkz n THR 202 Cb 1.06 -0.75 0.37 0.00 -2.10 0.00 0.00 70.33 68.91 3kkz n THR 202 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kkz h ASP 203 N 0.00 0.67 -0.03 3.42 3.32 -1.74 0.01 116.42 122.07 3kkz h ASP 203 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3kkz h ASP 203 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3kkz h ASP 203 CO 0.00 0.33 -0.11 1.41 -1.72 0.00 0.00 179.24 179.15 3kkz n HIS 204 N -4.58 0.00 0.06 4.55 8.25 -0.67 -4.39 115.22 118.43 3kkz n HIS 204 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3kkz n HIS 204 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3kkz n HIS 204 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3kkz n TYR 205 N 1.01 -1.22 -0.22 4.41 9.36 -1.05 -4.75 117.16 124.70 3kkz n TYR 205 Ca 0.13 0.22 -0.04 0.00 3.32 0.00 0.00 57.90 61.53 3kkz n TYR 205 Cb 0.56 0.68 0.14 0.00 -0.63 0.00 0.00 39.34 40.08 3kkz n TYR 205 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3kkz h PHE 206 N 0.00 1.05 -0.12 2.98 0.04 -0.25 -2.08 116.94 118.55 3kkz h PHE 206 Ca 0.00 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 3kkz h PHE 206 Cb 0.00 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 37.83 3kkz h PHE 206 CO 0.00 0.80 -0.02 1.15 -0.60 0.00 0.00 178.31 179.64 3kkz h THR 207 N 1.02 1.28 0.00 -1.55 2.02 -1.24 -2.33 112.91 112.11 3kkz h THR 207 Ca 0.24 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 3kkz h THR 207 Cb 0.19 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3kkz h THR 207 CO -0.02 0.26 -0.07 -0.65 0.37 0.00 0.00 175.52 175.41 3kkz h PRO 208 N -0.07 0.00 0.00 6.66 0.11 -1.75 -2.56 132.00 134.38 3kkz h PRO 208 Ca 0.03 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.09 3kkz h PRO 208 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3kkz h PRO 208 CO 0.01 0.07 -0.24 -0.22 -0.21 0.00 0.00 178.00 177.41 3kkz h LYS 209 N 0.00 0.00 -0.46 1.05 3.64 -0.82 -2.49 116.57 117.49 3kkz h LYS 209 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3kkz h LYS 209 Cb 0.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3kkz h LYS 209 CO 0.01 0.24 -0.06 -0.39 -2.27 0.00 0.00 179.45 176.98 3kkz h VAL 210 N 0.00 1.27 -0.60 2.00 -1.51 -1.22 0.70 116.25 116.90 3kkz h VAL 210 Ca -0.00 -1.16 -0.08 0.00 -1.23 0.00 0.00 66.70 64.23 3kkz h VAL 210 Cb 0.59 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 3kkz h VAL 210 CO 0.03 0.40 0.05 0.00 -1.23 0.00 0.00 177.57 176.82 3kkz h ALA 211 N 0.89 0.81 -0.55 5.19 0.00 -1.61 -1.82 119.26 122.17 3kkz h ALA 211 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3kkz h ALA 211 Cb 0.59 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3kkz h ALA 211 CO 0.04 0.61 0.05 0.00 0.00 0.00 0.00 179.25 179.94 3kkz h ALA 212 N 1.00 1.05 -0.46 0.00 0.00 -1.30 -2.59 119.26 116.95 3kkz h ALA 212 Ca 0.18 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3kkz h ALA 212 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kkz h ALA 212 CO 0.02 0.60 -0.16 0.37 0.00 0.00 0.00 179.25 180.09 3kkz h GLN 213 N 0.85 0.89 -0.26 0.00 4.15 -0.59 -0.49 115.11 119.65 3kkz h GLN 213 Ca 0.17 -0.34 -0.08 0.00 0.77 0.00 0.00 58.65 59.18 3kkz h GLN 213 Cb 0.44 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3kkz h GLN 213 CO 0.02 0.98 -0.16 0.87 -1.93 0.00 0.00 178.83 178.60 3kkz h LYS 214 N 0.79 0.46 -0.13 1.69 1.57 -1.17 0.55 116.57 120.32 3kkz h LYS 214 Ca 0.12 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 3kkz h LYS 214 Cb 0.69 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3kkz h LYS 214 CO 0.05 0.61 -0.18 0.82 -0.57 0.00 0.00 179.45 180.19 3kkz h ILE 215 N 0.42 1.36 -0.34 1.86 2.04 -1.24 -2.95 117.51 118.66 3kkz h ILE 215 Ca 0.07 -1.38 0.02 0.00 1.00 0.00 0.00 64.86 64.57 3kkz h ILE 215 Cb 0.53 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 3kkz h ILE 215 CO 0.03 0.40 0.18 0.15 0.00 0.00 0.00 178.15 178.92 3kkz h PHE 216 N -0.04 0.34 -0.31 1.37 3.57 -0.79 -2.14 116.94 118.95 3kkz h PHE 216 Ca 0.02 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 3kkz h PHE 216 Cb 0.73 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3kkz h PHE 216 CO 0.09 0.19 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.03 3kkz h LEU 217 N 0.38 0.63 -0.50 0.59 3.38 -0.98 0.30 115.31 119.12 3kkz h LEU 217 Ca 0.14 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3kkz h LEU 217 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3kkz h LEU 217 CO -0.08 0.88 -0.01 0.00 0.09 0.00 0.00 178.44 179.31 3kkz h THR 218 N 0.54 1.26 -0.50 0.22 1.03 -1.41 0.34 112.91 114.38 3kkz h THR 218 Ca 0.07 -1.10 -0.10 0.00 -0.01 0.00 0.00 66.41 65.27 3kkz h THR 218 Cb 0.74 0.99 -0.02 0.00 -1.07 0.00 0.00 68.15 68.79 3kkz h THR 218 CO 0.06 0.39 -0.10 0.50 -0.01 0.00 0.00 175.52 176.36 3kkz h LYS 219 N 0.74 0.95 -0.48 0.00 3.64 -1.00 -3.19 116.57 117.24 3kkz h LYS 219 Ca 0.14 -0.35 -0.11 0.00 -1.27 0.00 0.00 60.65 59.06 3kkz h LYS 219 Cb 0.54 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 3kkz h LYS 219 CO 0.03 1.02 0.09 0.66 -2.27 0.00 0.00 179.45 178.97 3kkz n TYR 220 N -4.22 1.63 -1.63 1.91 4.02 0.06 -5.02 117.16 113.91 3kkz n TYR 220 Ca 0.01 -1.09 -0.49 0.00 -0.01 0.00 0.00 57.90 56.31 3kkz n TYR 220 Cb 0.38 -0.50 -0.05 0.00 -0.02 0.00 0.00 39.34 39.16 3kkz n TYR 220 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kkz n ALA 221 N -0.37 0.18 0.00 -0.72 0.00 0.10 -1.40 120.51 118.30 3kkz n ALA 221 Ca 0.31 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.23 3kkz n ALA 221 Cb 1.13 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3kkz n ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kkz n GLY 222 N 2.95 1.83 3.67 0.00 0.00 -1.26 -5.02 105.19 107.37 3kkz n GLY 222 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kkz n GLY 222 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kkz s ASN 223 N -3.16 7.05 0.09 1.61 3.84 -0.50 -4.96 114.94 118.91 3kkz s ASN 223 Ca 0.00 1.30 -0.25 0.00 0.21 0.00 0.00 52.86 54.12 3kkz s ASN 223 Cb 0.00 -2.49 -0.16 0.00 -0.55 0.00 0.00 41.25 38.05 3kkz s ASN 223 CO 0.00 -0.46 1.72 0.50 -2.79 0.00 0.00 177.10 176.06 3kkz h LYS 224 N 7.31 -0.18 -0.77 0.43 1.63 -1.95 -0.80 116.57 122.24 3kkz h LYS 224 Ca -0.28 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.50 3kkz h LYS 224 Cb 1.12 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 3kkz h LYS 224 CO 0.87 -0.12 0.32 0.82 -3.45 0.00 0.00 179.45 177.89 3kkz h ILE 225 N -0.19 1.25 -0.44 2.00 2.04 -1.97 -1.43 117.51 118.78 3kkz h ILE 225 Ca -0.02 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 3kkz h ILE 225 Cb 0.15 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3kkz h ILE 225 CO 0.03 0.32 0.12 0.00 0.00 0.00 0.00 178.15 178.62 3kkz h ALA 226 N 1.24 0.57 -0.49 1.87 0.00 -1.82 -0.28 119.26 120.35 3kkz h ALA 226 Ca 0.26 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3kkz h ALA 226 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kkz h ALA 226 CO -0.02 0.24 0.02 0.93 0.00 0.00 0.00 179.25 180.42 3kkz h GLU 227 N 0.57 0.80 0.20 0.00 5.08 -0.89 -0.65 114.58 119.70 3kkz h GLU 227 Ca 0.14 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3kkz h GLU 227 Cb 0.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3kkz h GLU 227 CO -0.00 0.79 -0.10 0.93 -1.00 0.00 0.00 179.01 179.64 3kkz h GLU 228 N 0.75 -0.26 -0.83 2.33 5.08 -1.04 -2.89 114.58 117.73 3kkz h GLU 228 Ca 0.15 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.69 3kkz h GLU 228 Cb 0.43 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 3kkz h GLU 228 CO 0.02 -0.08 0.38 0.35 -1.00 0.00 0.00 179.01 178.68 3kkz h PHE 229 N -0.40 0.66 0.00 4.33 3.57 -0.80 -1.65 116.94 122.66 3kkz h PHE 229 Ca -0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kkz h PHE 229 Cb 0.31 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3kkz h PHE 229 CO -0.03 0.10 0.00 0.45 -2.23 0.00 0.00 178.31 176.61 3kkz n SER 230 N -4.94 0.74 0.00 0.41 2.88 -0.27 -2.29 113.62 110.15 3kkz n SER 230 Ca 0.17 -0.55 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 3kkz n SER 230 Cb 0.46 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 3kkz n SER 230 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3kkz n LEU 232 N 0.78 0.00 -0.28 2.46 4.32 -0.62 -2.17 117.00 121.50 3kkz n LEU 232 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.94 3kkz n LEU 232 Cb 0.13 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.99 3kkz n LEU 232 CO 0.00 0.00 1.15 1.56 -1.22 0.00 0.00 177.39 178.88 3kkz h GLN 233 N 0.00 1.03 -0.55 3.23 1.08 -1.73 -1.76 115.11 116.40 3kkz h GLN 233 Ca 0.00 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3kkz h GLN 233 Cb 0.00 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.19 3kkz h GLN 233 CO 0.00 0.73 0.29 0.77 -0.95 0.00 0.00 178.83 179.67 3kkz h SER 234 N 1.04 0.70 -0.59 1.46 0.02 -1.73 -2.64 113.55 111.80 3kkz h SER 234 Ca 0.27 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3kkz h SER 234 Cb -0.03 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 3kkz h SER 234 CO -0.05 0.61 0.33 0.40 -1.14 0.00 0.00 176.83 176.98 3kkz h ILE 235 N 0.74 1.00 -0.61 3.27 2.04 -1.76 -1.20 117.51 121.00 3kkz h ILE 235 Ca 0.19 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 65.94 3kkz h ILE 235 Cb 0.07 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 36.38 3kkz h ILE 235 CO -0.03 0.12 0.19 -0.08 0.00 0.00 0.00 178.15 178.35 3kkz h GLU 236 N 0.64 0.34 -0.31 2.37 4.81 -0.98 0.32 114.58 121.78 3kkz h GLU 236 Ca 0.25 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 3kkz h GLU 236 Cb 0.11 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3kkz h GLU 236 CO -0.14 0.23 -0.23 1.49 -0.73 0.00 0.00 179.01 179.62 3kkz h GLU 237 N 0.35 0.70 -0.77 1.92 4.81 -1.24 -2.43 114.58 117.93 3kkz h GLU 237 Ca 0.31 -0.34 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3kkz h GLU 237 Cb 0.42 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 3kkz h GLU 237 CO -0.34 0.95 0.45 0.93 -0.73 0.00 0.00 179.01 180.27 3kkz h GLU 238 N 0.45 0.78 -0.45 1.92 5.08 -0.60 -1.42 114.58 120.34 3kkz h GLU 238 Ca 0.06 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3kkz h GLU 238 Cb 0.79 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3kkz h GLU 238 CO 0.06 0.52 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.48 3kkz h LEU 239 N 0.80 0.74 -0.13 1.33 3.38 -0.85 -1.83 115.31 118.76 3kkz h LEU 239 Ca 0.35 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3kkz h LEU 239 Cb 0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kkz h LEU 239 CO -0.19 0.83 0.01 0.22 0.09 0.00 0.00 178.44 179.39 3kkz h TYR 240 N 0.71 0.24 -0.23 1.13 3.20 -0.88 0.14 116.97 121.28 3kkz h TYR 240 Ca 0.13 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3kkz h TYR 240 Cb 0.49 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3kkz h TYR 240 CO 0.02 0.44 0.05 0.45 -1.64 0.00 0.00 178.16 177.49 3kkz h HIS 241 N -0.04 0.31 0.06 -3.82 3.86 -1.13 0.94 115.15 115.33 3kkz h HIS 241 Ca 0.04 -0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 58.99 3kkz h HIS 241 Cb 0.35 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3kkz h HIS 241 CO 0.03 0.29 -1.14 -0.22 0.86 0.00 0.00 177.93 177.75 3kkz h LYS 242 N 0.32 0.13 0.00 2.45 3.64 -1.09 -3.39 116.57 118.62 3kkz h LYS 242 Ca 0.08 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3kkz h LYS 242 Cb 0.13 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3kkz h LYS 242 CO -0.00 1.09 -0.06 0.66 -2.27 0.00 0.00 179.45 178.87 3kkz n TYR 243 N -3.43 0.00 0.24 1.91 4.01 0.46 -4.80 117.16 115.55 3kkz n TYR 243 Ca -0.05 -0.53 0.16 0.00 -0.16 0.00 0.00 57.90 57.32 3kkz n TYR 243 Cb 0.98 -0.08 0.86 0.00 -0.31 0.00 0.00 39.34 40.80 3kkz n TYR 243 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3kkz h LYS 244 N 0.00 0.00 0.00 -0.72 2.10 -0.99 0.13 116.57 117.09 3kkz h LYS 244 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kkz h LYS 244 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 3kkz h LYS 244 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 3kkz h GLU 245 N 0.00 0.00 0.00 0.07 3.07 -1.87 -3.23 114.58 112.62 3kkz h GLU 245 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kkz h GLU 245 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3kkz h GLU 245 CO 0.00 0.00 -1.39 0.66 -1.40 0.00 0.00 179.01 176.88 3kkz n TYR 246 N -2.70 0.00 -3.66 4.33 4.01 0.46 -4.77 117.16 114.84 3kkz n TYR 246 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 3kkz n TYR 246 Cb 0.27 -0.22 -0.04 0.00 -0.31 0.00 0.00 39.34 39.04 3kkz n TYR 246 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 3kkz s TYR 247 N -3.06 -0.22 0.00 -0.72 -0.85 -1.22 -0.95 117.35 110.33 3kkz s TYR 247 Ca -0.00 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.45 3kkz s TYR 247 Cb 0.13 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.87 3kkz s TYR 247 CO 0.79 -0.87 0.00 0.41 -1.52 0.00 0.00 175.55 174.36 3kkz n GLY 248 N -0.33 1.80 3.45 5.49 0.00 -0.66 -4.73 105.19 110.22 3kkz n GLY 248 Ca -0.12 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 3kkz n GLY 248 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kkz s TYR 249 N -1.79 2.54 -0.03 1.61 1.51 -1.26 -0.84 117.35 119.09 3kkz s TYR 249 Ca 0.00 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 3kkz s TYR 249 Cb 0.00 -1.45 -0.00 0.00 -0.11 0.00 0.00 41.96 40.40 3kkz s TYR 249 CO 0.00 0.26 -0.15 0.99 -1.11 0.00 0.00 175.55 175.54 3kkz s THR 250 N -0.94 1.21 -0.17 -0.71 2.01 -0.02 -0.94 115.64 116.08 3kkz s THR 250 Ca 0.15 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.38 3kkz s THR 250 Cb -0.10 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 3kkz s THR 250 CO 0.05 0.35 0.34 0.12 -0.69 0.00 0.00 174.62 174.80 3kkz s PHE 251 N -0.07 3.43 -0.19 4.92 2.19 0.13 -1.02 117.98 127.36 3kkz s PHE 251 Ca -0.00 0.62 -0.02 0.00 0.33 0.00 0.00 56.93 57.86 3kkz s PHE 251 Cb -0.09 -2.42 -0.00 0.00 -1.31 0.00 0.00 43.02 39.20 3kkz s PHE 251 CO 0.01 0.15 -0.10 -0.06 1.83 0.00 0.00 175.22 177.05 3kkz s PHE 252 N 0.77 2.89 -0.21 10.12 0.40 0.14 -1.09 117.98 130.99 3kkz s PHE 252 Ca 0.18 -1.06 -0.03 0.00 -0.60 0.00 0.00 56.93 55.42 3kkz s PHE 252 Cb -0.14 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.37 3kkz s PHE 252 CO 0.06 -0.55 -0.06 0.42 0.70 0.00 0.00 175.22 175.79 3kkz s ILE 253 N 1.23 3.26 -0.02 0.64 1.09 0.11 -0.88 121.20 126.62 3kkz s ILE 253 Ca 0.03 -0.53 0.01 0.00 -1.10 0.00 0.00 60.65 59.05 3kkz s ILE 253 Cb -0.14 -2.47 0.01 0.00 -1.06 0.00 0.00 42.46 38.80 3kkz s ILE 253 CO -0.04 0.44 -0.04 0.00 -0.10 0.00 0.00 174.94 175.20 3kkz s ALA 254 N 1.39 0.47 -0.21 9.38 0.00 0.78 -1.89 121.76 131.68 3kkz s ALA 254 Ca 0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.86 3kkz s ALA 254 Cb -0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3kkz s ALA 254 CO -0.04 0.03 0.08 0.21 0.00 0.00 0.00 175.76 176.05 3kkz s LYS 255 N 0.46 3.92 -0.20 0.00 2.20 -0.34 -0.30 119.74 125.48 3kkz s LYS 255 Ca -0.05 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 3kkz s LYS 255 Cb -0.09 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 3kkz s LYS 255 CO -0.00 0.13 1.53 0.21 -0.36 0.00 0.00 175.35 176.86 3kkz s LYS 256 N 0.77 3.92 0.01 4.03 2.20 -0.02 -0.28 119.74 130.37 3kkz s LYS 256 Ca 0.04 1.68 0.04 0.00 -0.36 0.00 0.00 55.97 57.37 3kkz s LYS 256 Cb -0.13 -3.97 -0.01 0.00 -1.51 0.00 0.00 37.83 32.20 3kkz s LYS 256 CO 0.02 -1.13 -0.12 0.96 -0.36 0.00 0.00 175.35 174.72 3kkz s ILE 257 N 4.71 0.94 0.33 5.43 -4.36 -1.17 -0.92 121.20 126.16 3kkz s ILE 257 Ca 0.67 -0.71 0.07 0.00 -0.26 0.00 0.00 60.65 60.42 3kkz s ILE 257 Cb -0.24 -0.82 0.10 0.00 1.25 0.00 0.00 42.46 42.74 3kkz s ILE 257 CO 0.27 0.11 1.80 0.08 0.24 0.00 0.00 174.94 177.44 3kkz h ARG 258 N 5.42 0.31 0.00 0.37 -0.00 -1.88 -2.91 114.38 115.69 3kkz h ARG 258 Ca -0.35 -0.10 0.00 0.00 -0.00 0.00 0.00 59.98 59.53 3kkz h ARG 258 Cb 1.18 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.12 3kkz h ARG 258 CO 0.47 0.54 0.00 -0.07 -0.00 0.00 0.00 179.97 180.90 3kkz h LEU 259 N 0.28 0.00 -2.11 0.08 3.38 -1.96 0.02 115.31 115.00 3kkz h LEU 259 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kkz h LEU 259 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3kkz h LEU 259 CO 0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.75 3kkz n LEU 260 N -2.80 3.06 0.00 1.67 4.77 -1.10 -5.16 117.00 117.45 3kkz n LEU 260 Ca -0.01 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 3kkz n LEU 260 Cb 0.13 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kkz n LEU 260 CO 0.19 0.61 0.00 -1.84 -1.33 0.00 0.00 177.39 175.02