#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rby s ARG 2 N 0.00 4.22 -0.09 0.00 0.52 -1.26 -1.53 118.95 120.81 1rby s ARG 2 Ca 0.00 0.61 0.02 0.00 -0.52 0.00 0.00 55.73 55.84 1rby s ARG 2 Cb 0.00 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 1rby s ARG 2 CO 0.00 -0.21 -0.15 0.08 0.02 0.00 0.00 175.30 175.05 1rby s VAL 3 N 1.80 2.94 -0.12 3.52 1.01 0.23 0.43 120.40 130.20 1rby s VAL 3 Ca 0.29 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1rby s VAL 3 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1rby s VAL 3 CO 0.11 0.56 0.04 0.00 0.00 0.00 0.00 175.10 175.81 1rby s ALA 4 N -0.17 3.42 -0.19 5.51 0.00 -0.14 -1.20 121.76 129.01 1rby s ALA 4 Ca -0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1rby s ALA 4 Cb -0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 1rby s ALA 4 CO 0.03 0.48 -0.03 0.08 0.00 0.00 0.00 175.76 176.32 1rby s VAL 5 N -0.55 3.75 -0.19 0.00 1.01 -0.57 -0.95 120.40 122.90 1rby s VAL 5 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1rby s VAL 5 Cb -0.12 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1rby s VAL 5 CO 0.02 0.45 0.17 -0.76 0.00 0.00 0.00 175.10 174.98 1rby s LEU 6 N 0.88 4.22 0.19 3.92 1.43 -0.14 -0.66 118.68 128.52 1rby s LEU 6 Ca -0.00 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 1rby s LEU 6 Cb -0.14 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1rby s LEU 6 CO 0.02 0.16 -0.04 0.27 0.23 0.00 0.00 176.35 176.99 1rby s ILE 7 N 0.37 1.02 0.00 -0.59 -4.36 0.77 -1.34 121.20 117.08 1rby s ILE 7 Ca 0.10 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 1rby s ILE 7 Cb -0.11 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1rby s ILE 7 CO -0.01 -0.51 0.00 -1.20 0.24 0.00 0.00 174.94 173.46 1rby n SER 8 N -0.30 0.29 0.00 4.36 7.64 -1.09 -3.02 113.62 121.50 1rby n SER 8 Ca -0.07 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.56 1rby n SER 8 Cb 0.62 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.38 1rby n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rby n GLY 9 N 0.64 2.86 0.23 0.23 0.00 -1.26 -4.67 105.19 103.22 1rby n GLY 9 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1rby n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rby h THR 10 N 0.00 1.21 -3.35 2.61 2.02 -1.92 -1.48 112.91 111.99 1rby h THR 10 Ca 0.00 -0.96 -0.25 0.00 0.77 0.00 0.00 66.41 65.98 1rby h THR 10 Cb 0.00 1.32 0.06 0.00 -1.74 0.00 0.00 68.15 67.78 1rby h THR 10 CO 0.00 0.29 -0.39 0.61 0.37 0.00 0.00 175.52 176.40 1rby n GLY 11 N -0.71 -0.02 0.37 2.16 0.00 -1.26 -2.54 105.19 103.18 1rby n GLY 11 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1rby n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rby h SER 12 N -1.19 0.93 0.36 1.61 4.64 -1.91 -1.54 113.55 116.46 1rby h SER 12 Ca -0.34 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1rby h SER 12 Cb 1.23 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1rby h SER 12 CO 0.35 0.54 -0.31 0.59 -0.87 0.00 0.00 176.83 177.12 1rby n ASN 13 N -4.56 0.76 0.06 4.97 3.02 -1.26 -4.36 115.26 113.88 1rby n ASN 13 Ca 0.17 -0.60 -0.12 0.00 -0.03 0.00 0.00 54.58 54.00 1rby n ASN 13 Cb 0.30 0.13 -0.07 0.00 -0.61 0.00 0.00 39.78 39.52 1rby n ASN 13 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1rby h LEU 14 N 0.70 -0.05 -1.12 3.41 6.46 -1.64 -1.88 115.31 121.19 1rby h LEU 14 Ca 0.00 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1rby h LEU 14 Cb 0.49 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 1rby h LEU 14 CO 0.00 -0.02 0.41 -0.61 -0.62 0.00 0.00 178.44 177.60 1rby h GLN 15 N -0.07 1.02 -0.63 1.25 5.75 -1.76 0.50 115.11 121.17 1rby h GLN 15 Ca -0.01 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.33 1rby h GLN 15 Cb 0.06 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1rby h GLN 15 CO 0.01 0.75 0.19 0.00 -2.65 0.00 0.00 178.83 177.12 1rby h ALA 16 N 1.42 0.83 -0.20 3.38 0.00 -1.75 0.16 119.26 123.10 1rby h ALA 16 Ca 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1rby h ALA 16 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1rby h ALA 16 CO -0.04 0.51 0.10 -0.07 0.00 0.00 0.00 179.25 179.76 1rby h LEU 17 N 0.92 0.26 -0.09 0.00 3.38 -0.71 -2.56 115.31 116.50 1rby h LEU 17 Ca 0.20 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1rby h LEU 17 Cb 0.31 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1rby h LEU 17 CO -0.00 0.29 -0.16 0.40 0.09 0.00 0.00 178.44 179.05 1rby h ILE 18 N 0.21 0.58 -0.66 1.22 2.04 -0.58 -1.96 117.51 118.36 1rby h ILE 18 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1rby h ILE 18 Cb 0.09 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1rby h ILE 18 CO -0.01 0.00 0.41 0.44 0.00 0.00 0.00 178.15 178.99 1rby h ASP 19 N -0.22 0.66 -0.29 1.72 3.32 -0.94 -2.42 116.42 118.25 1rby h ASP 19 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1rby h ASP 19 Cb 0.34 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1rby h ASP 19 CO -0.22 0.46 0.18 -1.28 -1.72 0.00 0.00 179.24 176.66 1rby h SER 20 N 0.79 0.35 0.70 6.45 0.87 -1.27 -2.62 113.55 118.81 1rby h SER 20 Ca 0.27 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1rby h SER 20 Cb 0.04 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1rby h SER 20 CO -0.11 0.28 0.00 0.71 -0.53 0.00 0.00 176.83 177.18 1rby h THR 21 N 0.38 0.00 -0.02 2.23 1.35 -0.89 -2.56 112.91 113.40 1rby h THR 21 Ca 0.11 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1rby h THR 21 Cb -0.00 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1rby h THR 21 CO -0.02 0.00 -0.02 0.54 -0.25 0.00 0.00 175.52 175.77 1rby n ARG 22 N -2.99 1.99 -2.57 4.72 1.74 -0.98 -4.73 116.66 113.84 1rby n ARG 22 Ca -0.00 -1.47 -0.34 0.00 -0.77 0.00 0.00 57.85 55.27 1rby n ARG 22 Cb 0.23 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.16 1rby n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rby s GLU 23 N -2.02 3.85 0.59 5.56 0.41 -0.96 -5.02 118.70 121.10 1rby s GLU 23 Ca 0.32 1.34 -0.20 0.00 -0.41 0.00 0.00 54.97 56.02 1rby s GLU 23 Cb 0.20 -2.11 -0.03 0.00 -1.78 0.00 0.00 34.13 30.41 1rby s GLU 23 CO 0.33 -0.39 1.28 -1.25 -0.49 0.00 0.00 175.26 174.74 1rby s PRO 24 N -3.22 2.91 -0.68 0.39 0.04 -1.26 -2.54 135.00 130.65 1rby s PRO 24 Ca 0.67 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1rby s PRO 24 Cb -0.16 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1rby s PRO 24 CO 0.19 -1.31 0.00 0.09 0.04 0.00 0.00 177.00 176.01 1rby n ASN 25 N -1.47 -4.26 -4.76 6.66 3.02 -1.26 -5.01 115.26 108.19 1rby n ASN 25 Ca 0.13 0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.43 1rby n ASN 25 Cb 0.47 -2.32 -0.04 0.00 -0.61 0.00 0.00 39.78 37.29 1rby n ASN 25 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rby s SER 26 N -2.58 7.12 0.00 6.41 0.15 -1.05 -4.93 113.70 118.82 1rby s SER 26 Ca 0.00 2.39 0.24 0.00 0.70 0.00 0.00 55.95 59.28 1rby s SER 26 Cb 0.00 -2.63 0.65 0.00 -1.71 0.00 0.00 66.02 62.32 1rby s SER 26 CO 0.00 -0.26 1.51 -1.20 1.20 0.00 0.00 173.24 174.49 1rby n SER 27 N 1.11 2.27 -4.02 5.45 7.64 -1.26 -4.96 113.62 119.85 1rby n SER 27 Ca -0.01 -1.78 -0.09 0.00 1.01 0.00 0.00 58.87 58.01 1rby n SER 27 Cb 0.44 -0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.44 1rby n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rby s ALA 28 N -1.81 0.26 -0.01 -0.43 0.00 -1.26 -0.62 121.76 117.88 1rby s ALA 28 Ca 0.34 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1rby s ALA 28 Cb 0.20 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.49 1rby s ALA 28 CO 0.30 -0.20 -0.09 1.14 0.00 0.00 0.00 175.76 176.90 1rby s GLN 29 N -2.10 0.84 -0.31 0.00 -2.07 -0.58 -4.61 119.66 110.82 1rby s GLN 29 Ca -0.10 -0.33 -0.19 0.00 -1.82 0.00 0.00 55.36 52.92 1rby s GLN 29 Cb -0.05 -0.80 -0.01 0.00 -1.09 0.00 0.00 33.01 31.06 1rby s GLN 29 CO -0.03 0.18 0.58 0.42 -1.32 0.00 0.00 175.29 175.11 1rby s ILE 30 N -0.09 4.98 -0.26 3.63 1.01 -1.26 -0.60 121.20 128.60 1rby s ILE 30 Ca 0.01 0.69 0.12 0.00 0.00 0.00 0.00 60.65 61.48 1rby s ILE 30 Cb -0.05 -3.97 -0.16 0.00 0.01 0.00 0.00 42.46 38.29 1rby s ILE 30 CO -0.00 -0.14 0.37 0.47 0.00 0.00 0.00 174.94 175.64 1rby n ASP 31 N 5.80 1.47 -3.59 3.58 8.00 -0.34 -4.94 116.55 126.53 1rby n ASP 31 Ca -0.03 -0.36 -0.15 0.00 0.71 0.00 0.00 54.79 54.96 1rby n ASP 31 Cb 0.49 1.29 -0.07 0.00 -0.02 0.00 0.00 41.12 42.81 1rby n ASP 31 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rby s ILE 32 N -2.48 0.00 -0.14 0.53 1.10 -1.23 -4.17 121.20 114.81 1rby s ILE 32 Ca -0.00 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.16 1rby s ILE 32 Cb 0.08 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.70 1rby s ILE 32 CO 0.49 0.00 -0.20 -0.69 -2.11 0.00 0.00 174.94 172.43 1rby s VAL 33 N -0.25 1.90 -0.13 4.00 1.01 -0.55 -1.51 120.40 124.87 1rby s VAL 33 Ca -0.04 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1rby s VAL 33 Cb -0.03 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1rby s VAL 33 CO 0.04 0.52 -0.16 -0.63 0.00 0.00 0.00 175.10 174.88 1rby s ILE 34 N 0.92 2.76 0.03 2.22 1.01 0.16 -1.96 121.20 126.34 1rby s ILE 34 Ca -0.06 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.90 1rby s ILE 34 Cb -0.15 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1rby s ILE 34 CO -0.03 0.53 -0.16 -0.55 0.00 0.00 0.00 174.94 174.73 1rby s SER 35 N 0.49 3.95 0.00 3.58 0.15 -0.84 -0.16 113.70 120.86 1rby s SER 35 Ca -0.11 -0.37 0.28 0.00 0.70 0.00 0.00 55.95 56.45 1rby s SER 35 Cb -0.16 -0.70 1.11 0.00 -1.71 0.00 0.00 66.02 64.56 1rby s SER 35 CO 0.05 0.26 1.78 -0.46 1.20 0.00 0.00 173.24 176.06 1rby n ASN 36 N 1.55 1.03 -3.98 5.45 0.23 -1.17 -1.22 115.26 117.16 1rby n ASN 36 Ca -0.16 -1.13 -0.24 0.00 -0.53 0.00 0.00 54.58 52.52 1rby n ASN 36 Cb 0.52 0.02 -0.17 0.00 -2.08 0.00 0.00 39.78 38.08 1rby n ASN 36 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1rby s LYS 37 N -2.21 1.51 0.59 -3.83 -0.14 -1.26 -3.81 119.74 110.59 1rby s LYS 37 Ca 0.34 -0.33 -0.15 0.00 -1.36 0.00 0.00 55.97 54.47 1rby s LYS 37 Cb 0.21 -1.33 -0.04 0.00 -1.68 0.00 0.00 37.83 34.99 1rby s LYS 37 CO 0.41 -0.04 1.05 0.00 -0.76 0.00 0.00 175.35 176.01 1rby s ALA 38 N 0.89 2.77 -0.83 5.17 0.00 -1.26 -4.07 121.76 124.43 1rby s ALA 38 Ca -0.11 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1rby s ALA 38 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1rby s ALA 38 CO 0.01 -0.77 0.00 0.00 0.00 0.00 0.00 175.76 175.00 1rby n ALA 39 N -2.05 -0.12 -1.81 0.00 0.00 -1.26 -4.98 120.51 110.29 1rby n ALA 39 Ca 0.08 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 1rby n ALA 39 Cb 0.53 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1rby n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rby s VAL 40 N -1.79 4.53 0.22 0.00 -7.23 -1.26 -4.98 120.40 109.89 1rby s VAL 40 Ca 0.00 0.94 0.28 0.00 -1.81 0.00 0.00 61.98 61.38 1rby s VAL 40 Cb 0.00 -3.74 0.29 0.00 0.56 0.00 0.00 36.38 33.49 1rby s VAL 40 CO 0.00 -0.96 1.94 0.00 -0.31 0.00 0.00 175.10 175.77 1rby h ALA 41 N -0.02 1.08 -0.28 1.32 0.00 -1.83 -2.48 119.26 117.05 1rby h ALA 41 Ca -0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1rby h ALA 41 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1rby h ALA 41 CO 0.61 0.18 0.12 0.78 0.00 0.00 0.00 179.25 180.93 1rby h GLY 42 N 1.69 0.41 1.42 0.00 0.00 -0.97 -2.35 103.07 103.27 1rby h GLY 42 Ca -0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 1rby h GLY 42 CO 0.02 0.17 -0.39 1.41 0.00 0.00 0.00 176.54 177.75 1rby h LEU 43 N 0.39 0.67 -0.68 3.11 3.38 -1.69 -2.07 115.31 118.41 1rby h LEU 43 Ca 0.10 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 1rby h LEU 43 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1rby h LEU 43 CO -0.01 0.99 -0.39 0.44 0.09 0.00 0.00 178.44 179.56 1rby h ASP 44 N 0.52 0.60 -0.36 -0.43 3.32 -1.55 -0.63 116.42 117.89 1rby h ASP 44 Ca 0.05 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1rby h ASP 44 Cb 0.91 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1rby h ASP 44 CO 0.08 0.93 0.21 0.11 -1.72 0.00 0.00 179.24 178.85 1rby h LYS 45 N 0.48 0.49 -0.57 3.56 1.57 -1.28 -0.21 116.57 120.61 1rby h LYS 45 Ca 0.04 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1rby h LYS 45 Cb 0.88 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1rby h LYS 45 CO 0.08 0.39 0.18 0.00 -0.57 0.00 0.00 179.45 179.53 1rby h ALA 46 N 1.08 0.74 -0.37 3.86 0.00 -1.24 -2.06 119.26 121.27 1rby h ALA 46 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rby h ALA 46 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1rby h ALA 46 CO -0.02 0.40 0.20 0.93 0.00 0.00 0.00 179.25 180.76 1rby h GLU 47 N 0.79 0.51 -0.41 0.00 5.08 -0.90 -1.34 114.58 118.32 1rby h GLU 47 Ca 0.18 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1rby h GLU 47 Cb 0.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1rby h GLU 47 CO -0.01 0.42 0.27 0.00 -1.00 0.00 0.00 179.01 178.70 1rby h ARG 48 N 0.47 0.52 -0.00 2.33 3.08 -0.89 -1.00 114.38 118.88 1rby h ARG 48 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1rby h ARG 48 Cb 0.06 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1rby h ARG 48 CO -0.02 0.34 -0.01 0.00 -1.07 0.00 0.00 179.97 179.22 1rby n ALA 49 N -2.48 2.61 -2.76 0.04 0.00 -0.79 -4.93 120.51 112.20 1rby n ALA 49 Ca 0.03 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1rby n ALA 49 Cb 0.07 -1.49 0.02 0.00 0.00 0.00 0.00 19.45 18.05 1rby n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rby n GLY 50 N 1.14 -0.17 3.67 0.00 0.00 -0.38 -5.02 105.19 104.43 1rby n GLY 50 Ca 0.19 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1rby n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rby s ILE 51 N -2.97 5.06 0.47 -0.61 1.01 -0.55 -5.03 121.20 118.57 1rby s ILE 51 Ca 0.20 0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.69 1rby s ILE 51 Cb -0.09 -3.29 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 1rby s ILE 51 CO 0.25 0.45 0.98 -2.65 0.00 0.00 0.00 174.94 173.96 1rby n PRO 52 N 3.55 1.22 -4.20 2.79 -0.02 -1.26 -4.24 135.00 132.85 1rby n PRO 52 Ca -0.16 0.45 -0.19 0.00 -2.02 0.00 0.00 63.50 61.57 1rby n PRO 52 Cb 0.52 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.82 1rby n PRO 52 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rby s THR 53 N -1.35 1.21 0.04 3.45 -4.23 -1.26 -1.47 115.64 112.03 1rby s THR 53 Ca 0.66 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.87 1rby s THR 53 Cb -0.52 -1.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.15 1rby s THR 53 CO 0.55 -0.19 -0.11 -0.13 -0.54 0.00 0.00 174.62 174.20 1rby s ARG 54 N -1.75 0.70 -0.20 3.99 1.81 -0.83 -4.97 118.95 117.71 1rby s ARG 54 Ca -0.01 -0.75 -0.03 0.00 -1.72 0.00 0.00 55.73 53.22 1rby s ARG 54 Cb -0.10 -0.62 -0.01 0.00 -0.45 0.00 0.00 34.95 33.77 1rby s ARG 54 CO 0.03 0.14 -0.05 0.08 -0.68 0.00 0.00 175.30 174.81 1rby s VAL 55 N -1.08 3.37 -0.36 3.52 1.01 -1.26 -2.00 120.40 123.61 1rby s VAL 55 Ca -0.04 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1rby s VAL 55 Cb -0.09 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 33.88 1rby s VAL 55 CO 0.01 0.44 0.08 -0.63 0.00 0.00 0.00 175.10 175.01 1rby s ILE 56 N 1.23 2.07 -0.30 2.22 1.01 -0.36 -5.00 121.20 122.07 1rby s ILE 56 Ca 0.03 -2.31 -0.29 0.00 0.00 0.00 0.00 60.65 58.08 1rby s ILE 56 Cb -0.14 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 1rby s ILE 56 CO -0.02 -0.64 1.46 0.21 0.00 0.00 0.00 174.94 175.95 1rby s ASN 57 N 0.87 6.45 0.48 3.58 2.47 -1.26 -4.06 114.94 123.47 1rby s ASN 57 Ca 0.12 1.26 0.18 0.00 0.42 0.00 0.00 52.86 54.83 1rby s ASN 57 Cb -0.20 -2.54 1.17 0.00 -1.45 0.00 0.00 41.25 38.24 1rby s ASN 57 CO -0.10 -1.26 2.05 1.12 -3.72 0.00 0.00 177.10 175.20 1rby h HIS 58 N 10.30 0.00 0.00 0.43 2.07 -1.94 -2.47 115.15 123.53 1rby h HIS 58 Ca -0.29 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.21 1rby h HIS 58 Cb 1.12 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.10 1rby h HIS 58 CO 0.91 0.13 -0.10 0.87 -3.07 0.00 0.00 177.93 176.68 1rby h LYS 59 N 0.00 0.00 0.00 5.12 1.57 -1.91 -2.66 116.57 118.70 1rby h LYS 59 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rby h LYS 59 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1rby h LYS 59 CO 0.02 0.10 0.00 1.28 -0.57 0.00 0.00 179.45 180.28 1rby n LEU 60 N -3.71 0.00 -4.59 2.94 4.77 -0.93 -4.83 117.00 110.64 1rby n LEU 60 Ca -0.02 0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.83 1rby n LEU 60 Cb 0.21 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 1rby n LEU 60 CO 0.30 -0.02 -0.38 -0.31 -1.33 0.00 0.00 177.39 175.64 1rby s TYR 61 N -2.40 2.91 0.31 -1.77 1.51 -1.00 -5.03 117.35 111.88 1rby s TYR 61 Ca 0.30 -0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.37 1rby s TYR 61 Cb 0.18 -1.64 0.52 0.00 -0.11 0.00 0.00 41.96 40.91 1rby s TYR 61 CO 0.39 0.36 1.87 0.87 -1.11 0.00 0.00 175.55 177.92 1rby h LYS 62 N 4.75 0.69 0.00 -0.62 1.57 -1.88 -3.46 116.57 117.62 1rby h LYS 62 Ca -0.48 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 57.97 1rby h LYS 62 Cb 1.17 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1rby h LYS 62 CO 0.53 0.64 -0.04 0.27 -0.57 0.00 0.00 179.45 180.28 1rby n ASN 63 N -4.29 -1.37 -0.14 0.86 0.23 -1.26 -5.08 115.26 104.21 1rby n ASN 63 Ca 0.03 -2.58 -0.11 0.00 -0.53 0.00 0.00 54.58 51.39 1rby n ASN 63 Cb 0.22 2.46 -0.01 0.00 -2.08 0.00 0.00 39.78 40.36 1rby n ASN 63 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1rby h ARG 64 N 0.00 0.76 -0.57 -3.83 3.08 -1.95 -2.80 114.38 109.07 1rby h ARG 64 Ca -0.25 -0.27 0.09 0.00 0.07 0.00 0.00 59.98 59.62 1rby h ARG 64 Cb 1.04 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.96 1rby h ARG 64 CO 0.33 0.87 0.18 0.28 -1.07 0.00 0.00 179.97 180.56 1rby h VAL 65 N 0.58 0.76 -0.46 2.04 2.07 -1.98 0.42 116.25 119.69 1rby h VAL 65 Ca 0.11 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1rby h VAL 65 Cb 0.56 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1rby h VAL 65 CO 0.03 0.06 0.09 -0.33 0.02 0.00 0.00 177.57 177.44 1rby h GLU 66 N 0.35 0.75 -0.45 1.57 5.08 -1.97 -0.52 114.58 119.38 1rby h GLU 66 Ca 0.28 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1rby h GLU 66 Cb 0.36 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1rby h GLU 66 CO -0.31 0.76 0.06 0.35 -1.00 0.00 0.00 179.01 178.87 1rby h PHE 67 N 0.62 0.80 -0.27 4.33 3.57 -1.13 -2.06 116.94 122.79 1rby h PHE 67 Ca 0.14 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 1rby h PHE 67 Cb 0.36 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1rby h PHE 67 CO 0.02 0.76 -0.16 -0.44 -2.23 0.00 0.00 178.31 176.27 1rby h ASP 68 N 0.61 0.46 -0.71 0.41 3.32 -0.09 -2.05 116.42 118.38 1rby h ASP 68 Ca 0.13 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1rby h ASP 68 Cb 0.40 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1rby h ASP 68 CO 0.01 0.65 0.20 0.28 -1.72 0.00 0.00 179.24 178.66 1rby h SER 69 N 0.44 1.06 -0.80 6.45 0.02 -0.90 0.90 113.55 120.71 1rby h SER 69 Ca 0.08 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1rby h SER 69 Cb 0.53 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1rby h SER 69 CO 0.03 1.00 0.35 0.00 -1.14 0.00 0.00 176.83 177.08 1rby h ALA 70 N 1.10 1.04 0.08 3.77 0.00 -1.03 -0.33 119.26 123.89 1rby h ALA 70 Ca 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rby h ALA 70 Cb 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1rby h ALA 70 CO -0.00 0.64 -0.04 0.82 0.00 0.00 0.00 179.25 180.67 1rby h ILE 71 N 1.16 0.94 -0.50 0.00 2.04 -1.03 -2.95 117.51 117.17 1rby h ILE 71 Ca 0.27 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 66.13 1rby h ILE 71 Cb 0.17 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1rby h ILE 71 CO -0.03 0.01 0.34 -0.78 0.00 0.00 0.00 178.15 177.69 1rby h ASP 72 N -0.13 0.41 -0.43 1.72 3.58 -0.52 -1.27 116.42 119.78 1rby h ASP 72 Ca -0.01 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1rby h ASP 72 Cb 0.10 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1rby h ASP 72 CO 0.02 0.27 0.16 0.25 -2.88 0.00 0.00 179.24 177.06 1rby h LEU 73 N 0.47 0.60 -0.46 2.28 6.46 -0.91 -0.58 115.31 123.18 1rby h LEU 73 Ca 0.22 -0.18 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 1rby h LEU 73 Cb 0.26 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1rby h LEU 73 CO -0.06 0.62 0.02 0.58 -0.62 0.00 0.00 178.44 178.98 1rby h VAL 74 N 0.55 1.26 -0.37 1.05 2.07 -1.25 -1.76 116.25 117.80 1rby h VAL 74 Ca 0.14 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1rby h VAL 74 Cb 0.22 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1rby h VAL 74 CO -0.01 0.35 0.14 -0.07 0.02 0.00 0.00 177.57 178.01 1rby h LEU 75 N 0.65 0.17 -0.79 2.57 4.07 -1.00 -1.17 115.31 119.81 1rby h LEU 75 Ca 0.13 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.09 1rby h LEU 75 Cb 0.47 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.19 1rby h LEU 75 CO 0.02 0.14 0.34 -0.33 -1.08 0.00 0.00 178.44 177.52 1rby h GLU 76 N 0.31 1.17 -0.92 1.13 4.39 -1.08 -1.70 114.58 117.88 1rby h GLU 76 Ca 0.17 -0.20 0.11 0.00 0.34 0.00 0.00 59.36 59.77 1rby h GLU 76 Cb 0.13 -0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 28.50 1rby h GLU 76 CO -0.16 0.93 0.55 1.49 -1.16 0.00 0.00 179.01 180.67 1rby h GLU 77 N 1.14 0.87 -0.36 2.33 4.81 -0.53 -1.64 114.58 121.21 1rby h GLU 77 Ca 0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1rby h GLU 77 Cb 0.18 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1rby h GLU 77 CO -0.03 0.58 0.00 1.19 -0.73 0.00 0.00 179.01 180.02 1rby n PHE 78 N -4.68 0.48 -3.97 0.92 3.01 -0.52 -4.95 117.46 107.76 1rby n PHE 78 Ca 0.16 -0.24 -0.27 0.00 1.01 0.00 0.00 57.45 58.11 1rby n PHE 78 Cb 0.31 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.77 1rby n PHE 78 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1rby n SER 79 N 0.74 -1.23 -4.74 4.37 2.88 -0.62 -4.91 113.62 110.11 1rby n SER 79 Ca 0.16 -0.97 -0.41 0.00 -1.33 0.00 0.00 58.87 56.32 1rby n SER 79 Cb 0.39 -3.18 -0.04 0.00 -0.75 0.00 0.00 64.21 60.62 1rby n SER 79 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1rby s ILE 80 N -3.77 3.66 -0.24 2.46 -1.09 -0.70 -4.74 121.20 116.78 1rby s ILE 80 Ca 0.17 1.49 0.03 0.00 -2.23 0.00 0.00 60.65 60.11 1rby s ILE 80 Cb -0.09 -3.95 -0.19 0.00 -1.58 0.00 0.00 42.46 36.65 1rby s ILE 80 CO 0.88 0.28 -0.13 0.47 -1.23 0.00 0.00 174.94 175.21 1rby n ASP 81 N 2.04 1.77 -3.98 3.58 8.00 0.17 -4.93 116.55 123.21 1rby n ASP 81 Ca 0.02 -0.08 -0.18 0.00 0.71 0.00 0.00 54.79 55.25 1rby n ASP 81 Cb 0.45 -0.30 -0.15 0.00 -0.02 0.00 0.00 41.12 41.10 1rby n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rby s ILE 82 N -2.52 0.60 -0.14 0.53 1.01 -0.70 -4.86 121.20 115.11 1rby s ILE 82 Ca -0.31 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1rby s ILE 82 Cb 0.08 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 1rby s ILE 82 CO 0.64 0.18 -0.03 -0.69 0.00 0.00 0.00 174.94 175.05 1rby s VAL 83 N 0.05 3.99 -0.15 2.92 1.01 0.01 -0.96 120.40 127.27 1rby s VAL 83 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1rby s VAL 83 Cb -0.05 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1rby s VAL 83 CO -0.00 0.51 -0.08 0.00 0.00 0.00 0.00 175.10 175.53 1rby s LEU 85 N 0.39 4.09 -0.48 0.00 1.43 0.78 -0.97 118.68 123.93 1rby s LEU 85 Ca -0.07 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1rby s LEU 85 Cb -0.15 -2.50 0.14 0.00 0.03 0.00 0.00 46.19 43.70 1rby s LEU 85 CO 0.04 -0.25 0.27 0.00 0.23 0.00 0.00 176.35 176.64 1rby s ALA 86 N 2.17 2.58 -0.86 4.21 0.00 -0.45 -3.15 121.76 126.26 1rby s ALA 86 Ca 0.17 -2.88 0.00 0.00 0.00 0.00 0.00 51.96 49.25 1rby s ALA 86 Cb -0.16 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1rby s ALA 86 CO 0.10 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.22 1rby n GLY 87 N 3.28 0.99 3.71 0.00 0.00 -1.26 -4.41 105.19 107.50 1rby n GLY 87 Ca 0.09 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1rby n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rby s PHE 88 N -2.25 3.24 -0.77 1.61 5.36 -1.25 -2.66 117.98 121.26 1rby s PHE 88 Ca 0.00 1.00 0.08 0.00 -0.96 0.00 0.00 56.93 57.05 1rby s PHE 88 Cb 0.00 -3.64 0.22 0.00 -0.34 0.00 0.00 43.02 39.26 1rby s PHE 88 CO 0.00 -2.20 1.15 -1.33 -1.46 0.00 0.00 175.22 171.37 1rby n MET 89 N 4.07 2.56 -3.69 10.12 2.81 -1.26 -4.91 117.12 126.83 1rby n MET 89 Ca 0.11 -1.82 -0.37 0.00 -1.81 0.00 0.00 57.70 53.82 1rby n MET 89 Cb 0.43 -1.20 -0.11 0.00 -0.71 0.00 0.00 33.22 31.63 1rby n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1rby s ARG 90 N -0.97 3.92 0.15 0.03 1.81 -1.26 -5.07 118.95 117.57 1rby s ARG 90 Ca 0.17 -0.34 -0.31 0.00 -1.72 0.00 0.00 55.73 53.53 1rby s ARG 90 Cb 0.09 -3.51 -0.10 0.00 -0.45 0.00 0.00 34.95 30.98 1rby s ARG 90 CO 0.12 -0.07 1.61 0.42 -0.68 0.00 0.00 175.30 176.70 1rby s ILE 91 N 1.40 2.61 0.15 1.52 1.01 -1.26 -5.00 121.20 121.62 1rby s ILE 91 Ca 0.07 0.38 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 1rby s ILE 91 Cb -0.15 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 1rby s ILE 91 CO 0.07 0.02 0.43 -0.76 0.00 0.00 0.00 174.94 174.70 1rby s LEU 92 N 1.44 4.27 0.65 2.97 1.43 -1.26 -5.04 118.68 123.14 1rby s LEU 92 Ca 0.72 0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 54.41 1rby s LEU 92 Cb -0.44 -3.31 -0.00 0.00 0.03 0.00 0.00 46.19 42.47 1rby s LEU 92 CO 0.32 0.06 1.15 -0.94 0.23 0.00 0.00 176.35 177.16 1rby s SER 93 N -2.19 4.97 0.17 2.29 1.04 -1.26 -4.84 113.70 113.87 1rby s SER 93 Ca 0.40 2.16 -0.27 0.00 0.48 0.00 0.00 55.95 58.72 1rby s SER 93 Cb -0.12 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.43 1rby s SER 93 CO 0.22 -1.73 1.56 1.23 0.98 0.00 0.00 173.24 175.49 1rby h GLY 94 N 0.22 -0.60 0.98 7.32 0.00 -1.97 -1.69 103.07 107.32 1rby h GLY 94 Ca -0.48 0.64 0.01 0.00 0.00 0.00 0.00 47.33 47.50 1rby h GLY 94 CO 0.53 -0.11 0.34 -2.55 0.00 0.00 0.00 176.54 174.76 1rby h PRO 95 N -0.19 0.68 -0.12 4.80 0.11 -1.99 0.93 132.00 136.23 1rby h PRO 95 Ca 0.17 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.25 1rby h PRO 95 Cb 0.54 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1rby h PRO 95 CO -0.75 0.45 0.03 0.35 -0.21 0.00 0.00 178.00 177.87 1rby h PHE 96 N 0.70 0.05 -0.18 0.65 3.04 -1.90 -0.59 116.94 118.71 1rby h PHE 96 Ca 0.20 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.19 1rby h PHE 96 Cb -0.06 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 1rby h PHE 96 CO -0.04 0.03 -0.02 0.28 -2.02 0.00 0.00 178.31 176.53 1rby h VAL 97 N 0.08 0.84 -0.40 1.41 2.07 -0.95 -1.73 116.25 117.58 1rby h VAL 97 Ca 0.05 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1rby h VAL 97 Cb 0.03 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1rby h VAL 97 CO -0.06 0.01 0.12 1.56 0.02 0.00 0.00 177.57 179.22 1rby h GLN 98 N 0.03 0.26 -0.45 1.57 4.20 -0.67 -1.81 115.11 118.25 1rby h GLN 98 Ca 0.09 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1rby h GLN 98 Cb 0.12 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1rby h GLN 98 CO -0.17 0.17 0.12 -0.22 -0.67 0.00 0.00 178.83 178.06 1rby h LYS 99 N 0.27 0.67 -0.61 1.46 3.64 -0.72 -2.62 116.57 118.66 1rby h LYS 99 Ca 0.19 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1rby h LYS 99 Cb 0.19 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1rby h LYS 99 CO -0.21 0.61 0.00 0.91 -2.27 0.00 0.00 179.45 178.48 1rby n TRP 100 N -4.31 1.07 -1.68 1.91 7.02 -0.68 -4.98 117.44 115.79 1rby n TRP 100 Ca 0.03 -0.43 -0.45 0.00 -1.02 0.00 0.00 57.50 55.63 1rby n TRP 100 Cb 0.20 -0.18 -0.04 0.00 -2.42 0.00 0.00 31.31 28.87 1rby n TRP 100 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1rby n ASN 101 N 0.79 3.55 0.00 -0.99 5.15 -0.73 -0.68 115.26 122.34 1rby n ASN 101 Ca 0.19 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 55.19 1rby n ASN 101 Cb 0.67 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.46 1rby n ASN 101 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rby n GLY 102 N 3.98 0.97 0.00 8.20 0.00 -1.26 -4.84 105.19 112.23 1rby n GLY 102 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1rby n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rby n LYS 103 N -2.00 0.28 -4.43 1.61 4.76 0.14 -4.73 118.16 113.80 1rby n LYS 103 Ca 0.00 -0.59 -0.25 0.00 -2.87 0.00 0.00 58.31 54.60 1rby n LYS 103 Cb 0.00 -0.80 -0.17 0.00 -1.84 0.00 0.00 35.03 32.22 1rby n LYS 103 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1rby s MET 104 N -0.22 1.63 0.09 1.97 1.75 -1.00 -0.81 119.30 122.72 1rby s MET 104 Ca 0.00 -0.37 0.09 0.00 -1.25 0.00 0.00 55.69 54.16 1rby s MET 104 Cb 0.00 -1.42 -0.04 0.00 2.84 0.00 0.00 34.83 36.21 1rby s MET 104 CO 0.00 -0.04 -0.20 -0.51 -0.65 0.00 0.00 175.02 173.62 1rby s LEU 105 N 0.89 2.57 0.06 4.11 1.43 0.40 -1.21 118.68 126.92 1rby s LEU 105 Ca -0.10 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 1rby s LEU 105 Cb -0.15 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 1rby s LEU 105 CO 0.01 0.21 -0.19 0.21 0.23 0.00 0.00 176.35 176.82 1rby s ASN 106 N -1.83 2.24 -0.23 2.29 3.84 0.52 -0.15 114.94 121.62 1rby s ASN 106 Ca 0.16 -0.55 -0.09 0.00 0.21 0.00 0.00 52.86 52.59 1rby s ASN 106 Cb -0.10 -0.16 -0.04 0.00 -0.55 0.00 0.00 41.25 40.40 1rby s ASN 106 CO 0.07 0.09 0.12 -0.51 -2.79 0.00 0.00 177.10 174.08 1rby s ILE 107 N -0.92 5.03 -0.06 -5.21 1.10 -1.19 -1.63 121.20 118.32 1rby s ILE 107 Ca 0.05 0.06 0.04 0.00 -0.51 0.00 0.00 60.65 60.30 1rby s ILE 107 Cb -0.09 -3.33 -0.00 0.00 0.15 0.00 0.00 42.46 39.19 1rby s ILE 107 CO 0.02 0.37 -0.19 -2.28 -2.11 0.00 0.00 174.94 170.75 1rby s HIS 108 N 1.00 1.97 -0.26 3.50 5.65 0.03 -4.78 115.29 122.40 1rby s HIS 108 Ca 0.06 -0.65 -0.04 0.00 0.25 0.00 0.00 55.06 54.68 1rby s HIS 108 Cb -0.14 -1.33 -0.05 0.00 -1.18 0.00 0.00 32.58 29.88 1rby s HIS 108 CO 0.04 -0.25 3.00 -0.35 -0.65 0.00 0.00 174.74 176.53 1rby n PRO 109 N 3.30 2.15 -4.01 2.88 -0.04 -1.26 -0.62 135.00 137.41 1rby n PRO 109 Ca -0.19 -1.70 -0.10 0.00 -0.04 0.00 0.00 63.50 61.47 1rby n PRO 109 Cb 0.53 -2.01 -0.05 0.00 -0.04 0.00 0.00 33.50 31.93 1rby n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1rby s SER 110 N 1.01 -0.00 -0.98 3.54 1.04 -0.56 -4.53 113.70 113.21 1rby s SER 110 Ca 0.58 -1.00 -0.19 0.00 0.48 0.00 0.00 55.95 55.82 1rby s SER 110 Cb 0.33 0.59 0.12 0.00 0.10 0.00 0.00 66.02 67.16 1rby s SER 110 CO -0.12 -1.15 1.23 -0.76 0.98 0.00 0.00 173.24 173.43 1rby s LEU 111 N -3.04 4.74 0.50 2.42 1.43 -1.25 -2.53 118.68 120.95 1rby s LEU 111 Ca 0.24 -2.04 -0.22 0.00 -1.03 0.00 0.00 54.13 51.08 1rby s LEU 111 Cb -0.00 -2.44 -0.08 0.00 0.03 0.00 0.00 46.19 43.70 1rby s LEU 111 CO 0.10 -1.12 0.97 0.18 0.23 0.00 0.00 176.35 176.71 1rby n LEU 112 N 6.93 2.93 -0.07 1.79 4.77 -1.26 -1.63 117.00 130.46 1rby n LEU 112 Ca 0.28 0.93 0.07 0.00 -0.03 0.00 0.00 56.01 57.26 1rby n LEU 112 Cb 0.49 -1.36 0.40 0.00 -2.33 0.00 0.00 43.42 40.62 1rby n LEU 112 CO 0.55 -1.71 0.76 -0.81 -1.33 0.00 0.00 177.39 174.86 1rby n PRO 113 N -0.30 1.10 -2.09 3.23 -0.04 -1.26 -5.09 135.00 130.55 1rby n PRO 113 Ca 0.11 -0.15 -0.40 0.00 -0.04 0.00 0.00 63.50 63.03 1rby n PRO 113 Cb 0.43 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.64 1rby n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1rby s SER 114 N -1.44 6.46 -1.14 3.54 0.01 -0.65 -4.21 113.70 116.27 1rby s SER 114 Ca 0.22 2.64 -0.09 0.00 1.31 0.00 0.00 55.95 60.03 1rby s SER 114 Cb 0.10 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1rby s SER 114 CO 0.17 -0.75 0.84 0.49 0.41 0.00 0.00 173.24 174.40 1rby n PHE 115 N 0.31 -2.15 -2.19 2.43 3.72 -1.26 -4.42 117.46 113.91 1rby n PHE 115 Ca 0.03 0.73 -0.37 0.00 -0.05 0.00 0.00 57.45 57.78 1rby n PHE 115 Cb 0.43 -4.03 -0.00 0.00 -0.94 0.00 0.00 39.48 34.94 1rby n PHE 115 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1rby s LYS 116 N -5.31 3.63 0.00 -1.08 1.02 -1.26 -4.58 119.74 112.15 1rby s LYS 116 Ca 0.33 1.82 0.00 0.00 0.02 0.00 0.00 55.97 58.15 1rby s LYS 116 Cb -0.08 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1rby s LYS 116 CO 0.79 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1rby n GLY 117 N 0.46 2.20 0.00 -3.33 0.00 -1.26 -4.83 105.19 98.44 1rby n GLY 117 Ca 0.08 -2.08 0.11 0.00 0.00 0.00 0.00 46.02 44.14 1rby n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rby n SER 118 N 0.00 0.00 -2.22 1.61 3.41 -1.26 -3.52 113.62 111.63 1rby n SER 118 Ca 0.00 -0.25 -0.26 0.00 -0.26 0.00 0.00 58.87 58.10 1rby n SER 118 Cb 0.00 -0.20 0.02 0.00 -0.26 0.00 0.00 64.21 63.76 1rby n SER 118 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rby n ASN 119 N -1.20 5.05 -0.19 4.04 6.94 -1.26 -4.90 115.26 123.73 1rby n ASN 119 Ca 0.13 -3.74 -0.00 0.00 -0.02 0.00 0.00 54.58 50.94 1rby n ASN 119 Cb 0.15 -0.43 0.10 0.00 -2.36 0.00 0.00 39.78 37.24 1rby n ASN 119 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rby h ALA 120 N 2.34 0.71 -0.76 -2.53 0.00 -1.80 -2.28 119.26 114.94 1rby h ALA 120 Ca 0.36 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1rby h ALA 120 Cb 1.24 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1rby h ALA 120 CO 0.85 -0.26 0.43 0.45 0.00 0.00 0.00 179.25 180.72 1rby h HIS 121 N 0.32 1.03 -0.53 0.00 3.86 -1.91 -0.08 115.15 117.84 1rby h HIS 121 Ca 0.30 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.50 1rby h HIS 121 Cb 0.40 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1rby h HIS 121 CO -0.20 0.71 0.34 0.93 0.86 0.00 0.00 177.93 180.57 1rby h GLU 122 N 1.04 0.67 -0.49 2.45 3.07 -1.84 -1.49 114.58 118.00 1rby h GLU 122 Ca 0.27 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.00 1rby h GLU 122 Cb 0.01 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 1rby h GLU 122 CO -0.05 0.45 -0.04 1.96 -1.40 0.00 0.00 179.01 179.93 1rby h GLN 123 N 0.69 0.89 -0.54 2.33 4.20 -0.93 -1.54 115.11 120.21 1rby h GLN 123 Ca 0.20 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1rby h GLN 123 Cb -0.06 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1rby h GLN 123 CO -0.06 0.94 0.27 0.00 -0.67 0.00 0.00 178.83 179.31 1rby h ALA 124 N 0.92 0.69 -0.24 3.87 0.00 -0.62 0.25 119.26 124.12 1rby h ALA 124 Ca 0.13 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1rby h ALA 124 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rby h ALA 124 CO 0.03 0.24 -0.51 -0.07 0.00 0.00 0.00 179.25 178.94 1rby h LEU 125 N 0.72 0.73 -0.64 0.00 3.38 -1.28 -1.43 115.31 116.78 1rby h LEU 125 Ca 0.19 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1rby h LEU 125 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1rby h LEU 125 CO -0.03 1.11 0.06 -0.08 0.09 0.00 0.00 178.44 179.59 1rby h GLU 126 N 0.52 1.09 0.00 1.13 4.81 -0.84 -3.09 114.58 118.21 1rby h GLU 126 Ca 0.02 -0.32 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 1rby h GLU 126 Cb 1.06 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1rby h GLU 126 CO 0.10 1.03 -0.44 1.15 -0.73 0.00 0.00 179.01 180.12 1rby h THR 127 N 1.00 1.17 0.00 0.32 2.02 -0.38 -3.48 112.91 113.56 1rby h THR 127 Ca 0.19 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.78 1rby h THR 127 Cb 0.50 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1rby h THR 127 CO 0.02 0.43 0.00 0.61 0.37 0.00 0.00 175.52 176.95 1rby n GLY 128 N -0.02 0.53 3.74 2.16 0.00 -0.55 -5.05 105.19 105.99 1rby n GLY 128 Ca -0.01 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 1rby n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rby s VAL 129 N -2.00 2.10 -0.87 1.61 -7.23 -1.17 -4.93 120.40 107.91 1rby s VAL 129 Ca 0.00 0.07 0.20 0.00 -1.81 0.00 0.00 61.98 60.44 1rby s VAL 129 Cb 0.00 -3.03 -0.23 0.00 0.56 0.00 0.00 36.38 33.68 1rby s VAL 129 CO 0.00 -0.01 0.82 0.35 -0.31 0.00 0.00 175.10 175.95 1rby n THR 130 N -1.60 0.00 -4.08 5.32 -2.24 -1.26 -4.73 114.28 105.69 1rby n THR 130 Ca 0.14 -0.06 -0.27 0.00 -2.27 0.00 0.00 64.05 61.59 1rby n THR 130 Cb 0.47 0.91 -0.17 0.00 -2.10 0.00 0.00 70.33 69.45 1rby n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1rby s VAL 131 N -2.95 1.13 0.00 2.28 1.01 -1.26 -0.19 120.40 120.41 1rby s VAL 131 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1rby s VAL 131 Cb 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1rby s VAL 131 CO 0.83 0.38 0.00 1.07 0.00 0.00 0.00 175.10 177.38 1rby n THR 132 N 4.66 0.00 -1.64 3.92 5.66 0.50 -4.91 114.28 122.47 1rby n THR 132 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1rby n THR 132 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1rby n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rby n GLY 133 N 3.83 -0.54 3.12 1.09 0.00 -1.26 0.62 105.19 112.04 1rby n GLY 133 Ca 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 1rby n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rby s THR 135 N -3.87 0.27 -0.22 0.00 2.01 0.21 -1.87 115.64 112.18 1rby s THR 135 Ca 0.10 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 1rby s THR 135 Cb 0.07 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 1rby s THR 135 CO -0.07 0.13 0.13 -0.69 -0.69 0.00 0.00 174.62 173.43 1rby s VAL 136 N 0.59 5.19 0.05 3.82 1.01 0.10 -0.79 120.40 130.37 1rby s VAL 136 Ca -0.06 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1rby s VAL 136 Cb -0.09 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1rby s VAL 136 CO -0.01 0.40 -0.06 -1.38 0.00 0.00 0.00 175.10 174.05 1rby s HIS 137 N 0.75 0.60 0.43 5.22 -0.00 -0.65 -0.40 115.29 121.24 1rby s HIS 137 Ca 0.07 -0.66 -0.26 0.00 -0.00 0.00 0.00 55.06 54.21 1rby s HIS 137 Cb -0.13 -0.38 -0.08 0.00 -0.00 0.00 0.00 32.58 31.99 1rby s HIS 137 CO 0.02 -0.16 1.37 -0.06 -0.00 0.00 0.00 174.74 175.91 1rby s PHE 138 N -2.18 2.62 -0.14 0.38 0.08 -0.34 -0.35 117.98 118.04 1rby s PHE 138 Ca -0.05 1.33 -0.29 0.00 0.12 0.00 0.00 56.93 58.04 1rby s PHE 138 Cb -0.05 -3.81 -0.01 0.00 -0.57 0.00 0.00 43.02 38.59 1rby s PHE 138 CO -0.02 -2.55 1.02 0.08 -0.10 0.00 0.00 175.22 173.64 1rby s VAL 139 N -1.23 4.75 0.40 -0.44 1.01 -0.35 -3.71 120.40 120.83 1rby s VAL 139 Ca 0.59 2.04 0.08 0.00 0.00 0.00 0.00 61.98 64.69 1rby s VAL 139 Cb -0.41 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 1rby s VAL 139 CO 0.53 -0.05 0.17 0.00 0.00 0.00 0.00 175.10 175.75 1rby s ALA 140 N 2.35 3.55 0.18 5.51 0.00 -1.26 -4.83 121.76 127.26 1rby s ALA 140 Ca 0.47 -2.07 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 1rby s ALA 140 Cb -0.17 -0.42 0.16 0.00 0.00 0.00 0.00 23.12 22.68 1rby s ALA 140 CO 0.15 -0.13 1.74 1.49 0.00 0.00 0.00 175.76 179.00 1rby h GLU 141 N 1.46 0.30 -6.31 0.00 4.81 -1.94 -3.39 114.58 109.52 1rby h GLU 141 Ca -0.43 -0.02 -0.55 0.00 -0.13 0.00 0.00 59.36 58.23 1rby h GLU 141 Cb 1.25 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1rby h GLU 141 CO 0.69 0.20 0.78 -0.51 -0.73 0.00 0.00 179.01 179.44 1rby s ASP 142 N -5.36 6.95 0.23 1.04 1.01 -1.26 -4.95 116.67 114.33 1rby s ASP 142 Ca -0.13 1.92 -0.32 0.00 0.71 0.00 0.00 52.55 54.73 1rby s ASP 142 Cb 0.14 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.40 1rby s ASP 142 CO 0.73 -0.66 1.66 0.52 0.21 0.00 0.00 175.17 177.62 1rby n VAL 143 N 4.75 0.33 -2.55 -1.27 0.31 -1.26 -2.58 118.33 116.05 1rby n VAL 143 Ca 0.12 -0.08 -0.16 0.00 -0.01 0.00 0.00 64.34 64.21 1rby n VAL 143 Cb 0.45 -1.91 -0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1rby n VAL 143 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1rby n ASP 144 N 3.32 -4.65 0.00 4.52 8.00 -1.26 -4.83 116.55 121.65 1rby n ASP 144 Ca 0.14 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1rby n ASP 144 Cb 0.35 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 1rby n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rby n ALA 145 N -2.38 1.53 -1.08 2.24 0.00 -1.07 -4.95 120.51 114.80 1rby n ALA 145 Ca -0.16 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.38 1rby n ALA 145 Cb 0.63 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.28 1rby n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rby s GLY 146 N -0.37 1.56 0.17 0.00 0.00 -1.25 -4.92 107.32 102.51 1rby s GLY 146 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 44.72 43.98 1rby s GLY 146 CO 0.00 0.24 1.50 1.20 0.00 0.00 0.00 173.10 176.04 1rby s GLN 147 N -4.96 4.25 0.07 2.90 -1.52 -1.24 -4.67 119.66 114.49 1rby s GLN 147 Ca 0.66 2.28 -0.30 0.00 -1.95 0.00 0.00 55.36 56.05 1rby s GLN 147 Cb -0.18 -3.17 -0.05 0.00 -0.22 0.00 0.00 33.01 29.39 1rby s GLN 147 CO 0.58 -0.52 0.99 0.42 -0.25 0.00 0.00 175.29 176.51 1rby s ILE 148 N 0.88 4.58 -0.22 1.08 1.01 -1.26 -1.20 121.20 126.05 1rby s ILE 148 Ca 0.66 2.00 -0.16 0.00 0.00 0.00 0.00 60.65 63.16 1rby s ILE 148 Cb -0.42 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.69 1rby s ILE 148 CO 0.34 0.24 -0.35 -0.38 0.00 0.00 0.00 174.94 174.78 1rby n ILE 149 N 3.26 1.51 -3.89 2.92 5.41 0.46 -4.93 119.36 124.09 1rby n ILE 149 Ca 0.04 -0.10 -0.10 0.00 1.00 0.00 0.00 62.75 63.59 1rby n ILE 149 Cb 0.50 -2.14 -0.09 0.00 -0.71 0.00 0.00 39.64 37.19 1rby n ILE 149 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1rby s LEU 150 N -7.73 1.65 0.04 1.39 1.43 -1.13 -5.02 118.68 109.30 1rby s LEU 150 Ca -0.33 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1rby s LEU 150 Cb 0.09 0.68 -0.03 0.00 0.03 0.00 0.00 46.19 46.96 1rby s LEU 150 CO 0.46 -0.46 -0.02 -1.10 0.23 0.00 0.00 176.35 175.46 1rby s GLN 151 N -2.10 0.47 -0.04 1.70 -0.21 -1.26 -0.72 119.66 117.51 1rby s GLN 151 Ca -0.09 -0.91 -0.00 0.00 0.02 0.00 0.00 55.36 54.38 1rby s GLN 151 Cb -0.04 0.17 0.03 0.00 1.00 0.00 0.00 33.01 34.16 1rby s GLN 151 CO -0.02 -0.09 0.00 -2.00 -2.12 0.00 0.00 175.29 171.07 1rby s GLU 152 N -2.70 0.37 0.32 2.91 2.12 -0.78 -4.99 118.70 115.95 1rby s GLU 152 Ca -0.04 0.09 -0.27 0.00 0.36 0.00 0.00 54.97 55.11 1rby s GLU 152 Cb -0.01 -0.61 -0.10 0.00 0.26 0.00 0.00 34.13 33.68 1rby s GLU 152 CO -0.06 -0.18 0.98 0.00 -0.54 0.00 0.00 175.26 175.47 1rby s ALA 153 N 1.30 3.22 -0.04 6.30 0.00 -1.26 -1.48 121.76 129.80 1rby s ALA 153 Ca -0.06 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1rby s ALA 153 Cb -0.13 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1rby s ALA 153 CO -0.02 0.07 -0.06 0.08 0.00 0.00 0.00 175.76 175.83 1rby s VAL 154 N -1.52 0.63 0.41 0.00 1.01 0.20 -4.88 120.40 116.25 1rby s VAL 154 Ca 0.50 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 1rby s VAL 154 Cb -0.22 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 1rby s VAL 154 CO 0.27 0.23 1.14 -2.16 0.00 0.00 0.00 175.10 174.59 1rby s PRO 155 N 0.67 4.04 -0.08 2.72 0.04 -1.26 -0.37 135.00 140.76 1rby s PRO 155 Ca -0.10 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 1rby s PRO 155 Cb -0.13 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1rby s PRO 155 CO 0.01 -0.31 0.44 0.08 0.04 0.00 0.00 177.00 177.25 1rby s VAL 156 N -1.48 5.13 -0.10 -0.36 1.01 0.73 -4.80 120.40 120.54 1rby s VAL 156 Ca 0.58 0.88 -0.10 0.00 0.00 0.00 0.00 61.98 63.34 1rby s VAL 156 Cb -0.28 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1rby s VAL 156 CO 0.36 0.42 0.22 -0.54 0.00 0.00 0.00 175.10 175.56 1rby s LYS 157 N 0.01 3.69 0.23 2.72 1.02 -1.26 -4.82 119.74 121.32 1rby s LYS 157 Ca 0.24 0.01 -0.32 0.00 0.02 0.00 0.00 55.97 55.93 1rby s LYS 157 Cb -0.15 -3.24 -0.13 0.00 -0.52 0.00 0.00 37.83 33.78 1rby s LYS 157 CO 0.11 0.67 1.47 0.54 -0.92 0.00 0.00 175.35 177.22 1rby n ARG 158 N 2.22 2.14 -0.72 1.68 1.74 -1.26 -0.84 116.66 121.62 1rby n ARG 158 Ca -0.17 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1rby n ARG 158 Cb 0.54 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 1rby n ARG 158 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rby n GLY 159 N 2.47 0.88 3.69 -0.13 0.00 -1.26 -5.03 105.19 105.81 1rby n GLY 159 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1rby n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rby n ASP 160 N 0.00 2.63 -4.94 1.61 8.00 -0.02 -5.03 116.55 118.79 1rby n ASP 160 Ca 0.00 1.20 -0.22 0.00 0.71 0.00 0.00 54.79 56.48 1rby n ASP 160 Cb 0.00 -1.46 0.01 0.00 -0.02 0.00 0.00 41.12 39.65 1rby n ASP 160 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1rby s THR 161 N -1.03 2.12 0.20 -3.53 -4.23 -1.26 -4.93 115.64 102.97 1rby s THR 161 Ca 0.56 -1.28 -0.10 0.00 -1.18 0.00 0.00 61.69 59.69 1rby s THR 161 Cb -0.59 -2.40 0.13 0.00 1.34 0.00 0.00 72.50 70.98 1rby s THR 161 CO 0.61 0.00 1.77 0.58 -0.54 0.00 0.00 174.62 177.04 1rby h VAL 162 N 0.64 0.86 -0.24 2.29 2.07 -1.96 -0.82 116.25 119.10 1rby h VAL 162 Ca -0.36 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1rby h VAL 162 Cb 1.29 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1rby h VAL 162 CO 0.52 0.09 0.11 0.00 0.02 0.00 0.00 177.57 178.31 1rby h ALA 163 N 1.37 0.28 -0.09 1.67 0.00 -1.98 0.25 119.26 120.76 1rby h ALA 163 Ca 0.28 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 1rby h ALA 163 Cb 0.28 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1rby h ALA 163 CO -0.24 -0.29 -0.43 1.79 0.00 0.00 0.00 179.25 180.07 1rby h THR 164 N 0.24 1.39 -0.72 0.00 1.35 -1.92 -1.95 112.91 111.30 1rby h THR 164 Ca 0.10 -1.78 -0.01 0.00 -0.55 0.00 0.00 66.41 64.17 1rby h THR 164 Cb 0.03 2.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.65 1rby h THR 164 CO -0.07 0.53 0.41 0.25 -0.25 0.00 0.00 175.52 176.38 1rby h LEU 165 N 0.02 0.88 -0.01 3.87 5.85 -1.15 -2.70 115.31 122.08 1rby h LEU 165 Ca -0.03 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1rby h LEU 165 Cb 1.08 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1rby h LEU 165 CO 0.09 0.71 -0.18 -1.28 -0.34 0.00 0.00 178.44 177.44 1rby h SER 166 N 0.98 -0.53 -0.75 1.25 0.87 -0.45 -1.32 113.55 113.60 1rby h SER 166 Ca 0.25 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.97 1rby h SER 166 Cb 0.01 0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.13 1rby h SER 166 CO -0.04 -0.24 0.42 -0.08 -0.53 0.00 0.00 176.83 176.35 1rby h GLU 167 N -0.29 0.70 -0.43 2.24 4.57 -1.29 -0.45 114.58 119.63 1rby h GLU 167 Ca 0.06 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1rby h GLU 167 Cb 0.36 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1rby h GLU 167 CO -0.18 0.46 0.06 -0.09 -1.18 0.00 0.00 179.01 178.08 1rby h ARG 168 N 0.72 0.73 -0.44 1.92 2.43 -1.12 -2.59 114.38 116.03 1rby h ARG 168 Ca 0.35 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1rby h ARG 168 Cb 0.30 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1rby h ARG 168 CO -0.23 0.77 -0.10 0.28 -1.51 0.00 0.00 179.97 179.18 1rby h VAL 169 N 0.58 1.26 -0.70 0.20 2.07 -1.07 -3.00 116.25 115.58 1rby h VAL 169 Ca 0.13 -1.16 0.10 0.00 0.82 0.00 0.00 66.70 66.60 1rby h VAL 169 Cb 0.40 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 1rby h VAL 169 CO 0.01 0.40 0.32 0.11 0.02 0.00 0.00 177.57 178.43 1rby h LYS 170 N 0.71 0.52 -0.69 1.57 1.57 -0.80 -0.46 116.57 118.98 1rby h LYS 170 Ca 0.12 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1rby h LYS 170 Cb 0.58 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1rby h LYS 170 CO 0.04 0.34 0.37 -0.07 -0.57 0.00 0.00 179.45 179.56 1rby h LEU 171 N 0.53 0.86 -0.60 2.94 3.38 -1.33 -1.58 115.31 119.52 1rby h LEU 171 Ca 0.36 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 1rby h LEU 171 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1rby h LEU 171 CO -0.30 0.70 0.00 0.00 0.09 0.00 0.00 178.44 178.93 1rby h ALA 172 N 1.44 0.81 -0.95 1.53 0.00 -1.24 -3.13 119.26 117.72 1rby h ALA 172 Ca 0.24 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1rby h ALA 172 Cb 0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1rby h ALA 172 CO -0.04 0.64 0.63 0.93 0.00 0.00 0.00 179.25 181.41 1rby h GLU 173 N 0.95 1.23 0.00 0.00 5.08 -0.57 -1.76 114.58 119.52 1rby h GLU 173 Ca 0.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1rby h GLU 173 Cb 0.56 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1rby h GLU 173 CO 0.03 0.81 -0.06 0.45 -1.00 0.00 0.00 179.01 179.24 1rby h HIS 174 N 1.26 0.00 0.00 4.33 3.86 -1.25 -0.59 115.15 122.76 1rby h HIS 174 Ca 0.35 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1rby h HIS 174 Cb -0.11 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1rby h HIS 174 CO -0.01 0.06 -0.03 0.87 0.86 0.00 0.00 177.93 179.69 1rby h LYS 175 N 0.00 0.00 0.00 2.45 1.57 -1.35 -3.40 116.57 115.84 1rby h LYS 175 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1rby h LYS 175 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1rby h LYS 175 CO 0.01 0.19 -0.66 -0.84 -0.57 0.00 0.00 179.45 177.57 1rby h ILE 176 N -1.00 1.27 0.24 1.86 3.07 -1.25 -2.99 117.51 118.71 1rby h ILE 176 Ca -0.00 -2.44 -0.01 0.00 1.55 0.00 0.00 64.86 63.96 1rby h ILE 176 Cb 0.21 2.39 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1rby h ILE 176 CO -0.00 0.65 -0.12 0.15 -1.05 0.00 0.00 178.15 177.78 1rby h PHE 177 N 0.00 -0.30 -0.47 0.16 3.57 -1.35 -0.28 116.94 118.27 1rby h PHE 177 Ca -0.01 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1rby h PHE 177 Cb 1.34 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 1rby h PHE 177 CO 0.00 -0.06 0.13 -1.35 -2.23 0.00 0.00 178.31 174.80 1rby h PRO 178 N -0.51 0.69 -0.58 6.41 0.11 -1.77 -1.16 132.00 135.19 1rby h PRO 178 Ca -0.03 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 65.92 1rby h PRO 178 Cb 0.38 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1rby h PRO 178 CO 0.05 0.62 0.21 0.00 -0.21 0.00 0.00 178.00 178.67 1rby h ALA 179 N 1.47 0.75 -0.43 -0.75 0.00 -1.40 -1.06 119.26 117.83 1rby h ALA 179 Ca 0.16 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1rby h ALA 179 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1rby h ALA 179 CO -0.01 0.39 0.04 0.00 0.00 0.00 0.00 179.25 179.67 1rby h ALA 180 N 1.06 0.58 -0.46 0.00 0.00 -0.88 -1.76 119.26 117.79 1rby h ALA 180 Ca 0.19 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1rby h ALA 180 Cb 0.24 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1rby h ALA 180 CO -0.01 0.33 0.16 1.25 0.00 0.00 0.00 179.25 180.97 1rby h LEU 181 N 0.58 0.15 -0.86 0.00 5.85 -1.06 -1.84 115.31 118.13 1rby h LEU 181 Ca 0.13 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1rby h LEU 181 Cb 0.43 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1rby h LEU 181 CO 0.01 0.12 0.40 1.56 -0.34 0.00 0.00 178.44 180.19 1rby h GLN 182 N 0.32 1.22 -0.77 1.25 1.08 -0.99 0.95 115.11 118.17 1rby h GLN 182 Ca 0.22 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1rby h GLN 182 Cb 0.23 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 1rby h GLN 182 CO -0.23 0.94 0.38 -0.07 -0.95 0.00 0.00 178.83 178.90 1rby h LEU 183 N 1.20 1.00 0.15 1.46 3.38 -0.87 -0.38 115.31 121.25 1rby h LEU 183 Ca 0.29 -0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.86 1rby h LEU 183 Cb 0.13 -0.26 0.03 0.00 0.09 0.00 0.00 40.66 40.65 1rby h LEU 183 CO -0.03 0.85 -1.16 0.58 0.09 0.00 0.00 178.44 178.76 1rby h VAL 184 N 1.08 1.34 -0.92 1.22 2.07 -1.18 0.12 116.25 119.98 1rby h VAL 184 Ca 0.27 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.28 1rby h VAL 184 Cb 0.11 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 1rby h VAL 184 CO -0.04 0.74 0.53 0.00 0.02 0.00 0.00 177.57 178.83 1rby h ALA 185 N 0.22 1.17 0.00 1.67 0.00 -0.70 -0.52 119.26 121.10 1rby h ALA 185 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1rby h ALA 185 Cb 1.87 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1rby h ALA 185 CO 0.22 0.65 0.00 -1.13 0.00 0.00 0.00 179.25 178.99 1rby n SER 186 N -4.35 0.08 -0.56 0.00 3.41 -0.16 -4.64 113.62 107.39 1rby n SER 186 Ca 0.10 0.51 -0.07 0.00 -0.26 0.00 0.00 58.87 59.15 1rby n SER 186 Cb 0.08 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1rby n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rby n GLY 187 N 0.91 0.94 0.23 5.00 0.00 -0.20 -4.91 105.19 107.15 1rby n GLY 187 Ca 0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 1rby n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rby h THR 188 N 0.00 1.30 -3.30 2.61 2.02 -1.07 -3.43 112.91 111.04 1rby h THR 188 Ca -0.15 -1.64 -0.68 0.00 0.77 0.00 0.00 66.41 64.71 1rby h THR 188 Cb 0.51 1.60 -0.33 0.00 -1.74 0.00 0.00 68.15 68.19 1rby h THR 188 CO 0.22 0.52 -0.88 -0.69 0.37 0.00 0.00 175.52 175.06 1rby s VAL 189 N -4.18 2.07 0.12 3.16 1.01 -0.26 -0.35 120.40 121.97 1rby s VAL 189 Ca -0.08 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.94 1rby s VAL 189 Cb 0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1rby s VAL 189 CO 0.83 0.56 -0.11 -1.10 0.00 0.00 0.00 175.10 175.28 1rby s GLN 190 N 0.49 0.97 -0.40 2.72 -0.21 -0.21 -4.23 119.66 118.79 1rby s GLN 190 Ca -0.15 -1.27 -0.24 0.00 0.02 0.00 0.00 55.36 53.72 1rby s GLN 190 Cb -0.17 -0.68 0.02 0.00 1.00 0.00 0.00 33.01 33.18 1rby s GLN 190 CO 0.06 0.11 0.81 -1.17 -2.12 0.00 0.00 175.29 172.97 1rby s LEU 191 N -2.68 4.14 1.07 2.90 0.20 -1.26 -0.21 118.68 122.84 1rby s LEU 191 Ca 0.10 0.22 -0.14 0.00 0.69 0.00 0.00 54.13 55.00 1rby s LEU 191 Cb -0.02 -3.04 0.22 0.00 -0.43 0.00 0.00 46.19 42.93 1rby s LEU 191 CO 0.01 -0.82 1.08 -0.83 -0.29 0.00 0.00 176.35 175.50 1rby s GLY 192 N 1.97 1.56 0.29 7.98 0.00 0.18 -4.90 107.32 114.39 1rby s GLY 192 Ca 0.32 -0.44 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 1rby s GLY 192 CO 0.20 0.24 1.92 0.83 0.00 0.00 0.00 173.10 176.29 1rby h GLU 193 N -2.14 1.06 0.00 2.90 5.08 -1.97 -1.67 114.58 117.83 1rby h GLU 193 Ca -0.55 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1rby h GLU 193 Cb 1.33 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1rby h GLU 193 CO 0.54 0.76 0.00 0.27 -1.00 0.00 0.00 179.01 179.57 1rby n ASN 194 N -4.37 0.00 0.00 1.42 6.94 -1.26 -4.84 115.26 113.16 1rby n ASN 194 Ca 0.08 -0.69 0.00 0.00 -0.02 0.00 0.00 54.58 53.95 1rby n ASN 194 Cb 0.08 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 1rby n ASN 194 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rby n GLY 195 N 0.07 0.50 3.66 4.83 0.00 -0.63 -5.04 105.19 108.59 1rby n GLY 195 Ca 0.09 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1rby n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rby s LYS 196 N -0.49 2.44 0.29 1.61 -0.14 -1.26 -4.81 119.74 117.38 1rby s LYS 196 Ca 0.00 -0.90 -0.30 0.00 -1.36 0.00 0.00 55.97 53.41 1rby s LYS 196 Cb 0.00 -2.47 -0.11 0.00 -1.68 0.00 0.00 37.83 33.57 1rby s LYS 196 CO 0.00 0.52 1.52 -1.50 -0.76 0.00 0.00 175.35 175.13 1rby s ILE 197 N -1.33 2.29 -0.06 2.17 1.10 -1.26 0.49 121.20 124.60 1rby s ILE 197 Ca 0.25 0.25 0.01 0.00 -0.51 0.00 0.00 60.65 60.65 1rby s ILE 197 Cb -0.11 -3.16 0.02 0.00 0.15 0.00 0.00 42.46 39.36 1rby s ILE 197 CO 0.17 0.04 -0.05 0.00 -2.11 0.00 0.00 174.94 172.99 1rby s TRP 199 N 1.20 3.23 -2.44 0.00 0.52 -1.26 -1.04 118.94 119.14 1rby s TRP 199 Ca -0.06 0.27 0.28 0.00 0.02 0.00 0.00 56.10 56.61 1rby s TRP 199 Cb -0.14 -2.58 1.14 0.00 -1.15 0.00 0.00 33.47 30.74 1rby s TRP 199 CO -0.02 -0.28 1.80 0.28 0.02 0.00 0.00 176.95 178.76