#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjh n THR 65 N 0.00 0.00 -2.35 4.37 5.66 -1.26 -3.42 114.28 117.28 1rjh n THR 65 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1rjh n THR 65 Cb 0.00 -0.24 -0.03 0.00 -1.55 0.00 0.00 70.33 68.51 1rjh n THR 65 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1rjh s GLN 66 N -1.66 4.53 -0.03 1.09 -1.52 -1.26 -4.59 119.66 116.21 1rjh s GLN 66 Ca 0.00 1.94 -0.15 0.00 -1.95 0.00 0.00 55.36 55.19 1rjh s GLN 66 Cb 0.00 -3.17 -0.05 0.00 -0.22 0.00 0.00 33.01 29.57 1rjh s GLN 66 CO 0.00 0.03 0.41 0.95 -0.25 0.00 0.00 175.29 176.43 1rjh s THR 67 N -0.85 5.08 0.10 -0.19 -4.23 -1.26 -4.06 115.64 110.22 1rjh s THR 67 Ca 0.48 0.84 -0.20 0.00 -1.18 0.00 0.00 61.69 61.63 1rjh s THR 67 Cb -0.34 -3.73 0.07 0.00 1.34 0.00 0.00 72.50 69.84 1rjh s THR 67 CO 0.43 0.51 0.96 2.29 -0.54 0.00 0.00 174.62 178.27 1rjh n LYS 68 N 2.32 0.43 -1.71 3.99 0.00 -1.18 -4.85 118.16 117.17 1rjh n LYS 68 Ca -0.12 -1.07 -0.30 0.00 -0.00 0.00 0.00 58.31 56.81 1rjh n LYS 68 Cb 0.52 1.52 0.08 0.00 -0.00 0.00 0.00 35.03 37.15 1rjh n LYS 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1rjh s THR 69 N -2.10 2.92 0.29 0.58 -4.23 -1.25 -3.06 115.64 108.79 1rjh s THR 69 Ca 0.22 0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1rjh s THR 69 Cb -0.02 -3.16 0.16 0.00 1.34 0.00 0.00 72.50 70.82 1rjh s THR 69 CO 0.03 -0.39 1.85 0.15 -0.54 0.00 0.00 174.62 175.72 1rjh h PHE 70 N -0.99 0.81 -0.15 3.99 3.57 -0.84 0.36 116.94 123.69 1rjh h PHE 70 Ca -0.47 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 60.96 1rjh h PHE 70 Cb 1.28 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1rjh h PHE 70 CO 0.43 0.67 0.06 1.25 -2.23 0.00 0.00 178.31 178.49 1rjh h HIS 71 N 0.76 0.22 -0.51 0.41 2.76 -1.93 0.46 115.15 117.32 1rjh h HIS 71 Ca 0.17 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.21 1rjh h HIS 71 Cb 0.26 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1rjh h HIS 71 CO 0.01 0.30 -0.13 0.93 -1.30 0.00 0.00 177.93 177.75 1rjh h GLU 72 N 0.08 0.98 -0.46 5.26 4.39 -1.84 -0.42 114.58 122.57 1rjh h GLU 72 Ca 0.05 -0.38 0.07 0.00 0.34 0.00 0.00 59.36 59.44 1rjh h GLU 72 Cb 0.17 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1rjh h GLU 72 CO -0.00 1.05 0.11 0.00 -1.16 0.00 0.00 179.01 179.01 1rjh h ALA 73 N 0.90 0.52 0.51 3.43 0.00 -0.03 0.40 119.26 124.98 1rjh h ALA 73 Ca 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1rjh h ALA 73 Cb 0.69 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1rjh h ALA 73 CO 0.05 -0.29 -0.24 0.77 0.00 0.00 0.00 179.25 179.53 1rjh h SER 74 N 0.25 -0.58 -0.72 0.00 0.02 -0.75 -2.56 113.55 109.21 1rjh h SER 74 Ca 0.22 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1rjh h SER 74 Cb 0.28 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1rjh h SER 74 CO -0.28 -0.25 0.33 -0.08 -1.14 0.00 0.00 176.83 175.41 1rjh h GLU 75 N -0.93 1.05 -0.04 3.45 4.81 -0.80 -1.16 114.58 120.96 1rjh h GLU 75 Ca -0.07 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1rjh h GLU 75 Cb 0.61 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1rjh h GLU 75 CO 0.11 0.84 -0.09 0.22 -0.73 0.00 0.00 179.01 179.36 1rjh h ASP 76 N 1.02 0.15 -0.65 1.04 3.58 -0.30 -0.75 116.42 120.49 1rjh h ASP 76 Ca 0.25 -0.59 -0.07 0.00 0.42 0.00 0.00 57.03 57.03 1rjh h ASP 76 Cb 0.15 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1rjh h ASP 76 CO -0.03 0.71 0.14 0.00 -2.88 0.00 0.00 179.24 177.18 1rjh h ILE 78 N 1.02 1.26 -0.15 0.00 5.03 -1.22 -2.00 117.51 121.44 1rjh h ILE 78 Ca 0.21 -0.93 -0.04 0.00 -0.12 0.00 0.00 64.86 63.98 1rjh h ILE 78 Cb 0.39 0.56 -0.01 0.00 -3.03 0.00 0.00 36.82 34.73 1rjh h ILE 78 CO 0.01 0.36 -0.09 -1.28 -0.68 0.00 0.00 178.15 176.47 1rjh h SER 79 N 1.01 0.21 0.60 1.72 0.87 -0.46 -0.42 113.55 117.09 1rjh h SER 79 Ca 0.22 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1rjh h SER 79 Cb 0.35 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1rjh h SER 79 CO -0.00 0.33 0.00 0.03 -0.53 0.00 0.00 176.83 176.66 1rjh h ARG 80 N 0.22 0.00 0.00 2.24 3.08 -0.78 -3.45 114.38 115.69 1rjh h ARG 80 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1rjh h ARG 80 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1rjh h ARG 80 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1rjh n GLY 81 N -0.37 1.13 0.00 0.04 0.00 -0.17 -5.10 105.19 100.73 1rjh n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rjh n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjh n GLY 82 N -1.72 4.24 3.11 -0.02 0.00 -0.79 -4.78 105.19 105.22 1rjh n GLY 82 Ca 0.00 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 1rjh n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rjh s THR 83 N -1.46 0.18 0.55 2.61 -4.23 -0.84 -3.38 115.64 109.07 1rjh s THR 83 Ca 0.00 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 1rjh s THR 83 Cb 0.00 -1.70 -0.06 0.00 1.34 0.00 0.00 72.50 72.08 1rjh s THR 83 CO 0.00 -0.81 1.04 -0.76 -0.54 0.00 0.00 174.62 173.54 1rjh s LEU 84 N -2.96 3.60 -0.54 4.79 1.02 -1.26 0.11 118.68 123.43 1rjh s LEU 84 Ca 0.13 1.79 -0.27 0.00 0.02 0.00 0.00 54.13 55.80 1rjh s LEU 84 Cb 0.08 -4.53 0.03 0.00 0.02 0.00 0.00 46.19 41.79 1rjh s LEU 84 CO -0.06 -0.97 1.09 -0.55 0.02 0.00 0.00 176.35 175.88 1rjh s SER 85 N -2.66 6.46 -0.27 2.29 0.15 -1.07 -4.54 113.70 114.06 1rjh s SER 85 Ca 0.63 0.06 -0.13 0.00 0.70 0.00 0.00 55.95 57.21 1rjh s SER 85 Cb -0.15 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1rjh s SER 85 CO 0.32 -1.32 0.30 0.42 1.20 0.00 0.00 173.24 174.15 1rjh s THR 86 N 4.46 5.23 -0.39 6.45 -4.23 -1.21 -4.56 115.64 121.39 1rjh s THR 86 Ca 0.40 0.41 -0.25 0.00 -1.18 0.00 0.00 61.69 61.06 1rjh s THR 86 Cb -0.09 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.14 1rjh s THR 86 CO 0.25 0.20 0.90 -2.16 -0.54 0.00 0.00 174.62 173.27 1rjh s PRO 87 N 1.93 3.76 0.00 3.99 0.05 -1.26 -4.85 135.00 138.62 1rjh s PRO 87 Ca 0.12 0.45 0.12 0.00 0.05 0.00 0.00 61.00 61.73 1rjh s PRO 87 Cb -0.16 -3.83 -0.06 0.00 0.05 0.00 0.00 34.50 30.50 1rjh s PRO 87 CO 0.10 -0.99 0.59 0.00 0.05 0.00 0.00 177.00 176.76 1rjh n GLN 88 N 6.80 2.60 -4.09 4.56 10.64 -1.26 -4.82 117.38 131.82 1rjh n GLN 88 Ca 0.06 -0.35 -0.10 0.00 -1.83 0.00 0.00 57.00 54.78 1rjh n GLN 88 Cb 0.48 -1.09 -0.08 0.00 -0.86 0.00 0.00 30.24 28.70 1rjh n GLN 88 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1rjh s THR 89 N -1.78 0.01 0.32 -0.39 2.01 -1.26 -2.37 115.64 112.17 1rjh s THR 89 Ca 0.07 -1.67 0.01 0.00 0.31 0.00 0.00 61.69 60.41 1rjh s THR 89 Cb 0.09 -2.30 0.22 0.00 0.01 0.00 0.00 72.50 70.53 1rjh s THR 89 CO 0.38 -0.04 1.94 1.23 -0.69 0.00 0.00 174.62 177.44 1rjh h GLY 90 N 2.45 0.91 0.84 4.40 0.00 -1.94 -2.80 103.07 106.93 1rjh h GLY 90 Ca -0.31 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 46.66 1rjh h GLY 90 CO 0.45 0.39 0.44 1.76 0.00 0.00 0.00 176.54 179.57 1rjh h SER 91 N 0.85 0.71 -0.11 0.19 0.02 -1.98 -0.22 113.55 113.02 1rjh h SER 91 Ca 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1rjh h SER 91 Cb 0.04 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1rjh h SER 91 CO -0.03 0.49 0.06 -0.33 -1.14 0.00 0.00 176.83 175.87 1rjh h GLU 92 N 0.85 0.15 -0.44 3.45 3.07 -1.89 0.09 114.58 119.85 1rjh h GLU 92 Ca 0.29 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 1rjh h GLU 92 Cb 0.05 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 1rjh h GLU 92 CO -0.12 0.16 0.03 -0.97 -1.40 0.00 0.00 179.01 176.71 1rjh h ASN 93 N 0.09 0.66 -0.12 1.42 -1.24 -1.44 0.64 115.58 115.60 1rjh h ASN 93 Ca 0.04 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.90 1rjh h ASN 93 Cb 0.05 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 38.92 1rjh h ASN 93 CO -0.01 0.71 0.04 -0.78 -1.29 0.00 0.00 177.43 176.10 1rjh h ASP 94 N 0.67 0.17 -0.06 1.15 3.58 -0.77 -0.81 116.42 120.35 1rjh h ASP 94 Ca 0.14 -0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.32 1rjh h ASP 94 Cb 0.37 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1rjh h ASP 94 CO 0.01 0.33 -0.15 0.00 -2.88 0.00 0.00 179.24 176.54 1rjh h ALA 95 N 0.85 1.30 0.73 -0.78 0.00 -0.58 -2.23 119.26 118.55 1rjh h ALA 95 Ca 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1rjh h ALA 95 Cb 0.22 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rjh h ALA 95 CO -0.00 0.47 -0.35 -0.07 0.00 0.00 0.00 179.25 179.29 1rjh h LEU 96 N 0.37 -0.83 -1.51 0.00 3.38 -0.71 -2.08 115.31 113.94 1rjh h LEU 96 Ca 0.07 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.24 1rjh h LEU 96 Cb 0.49 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1rjh h LEU 96 CO 0.03 -0.58 0.55 0.22 0.09 0.00 0.00 178.44 178.75 1rjh h TYR 97 N -1.00 0.56 0.06 1.13 3.20 -0.96 0.46 116.97 120.42 1rjh h TYR 97 Ca -0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1rjh h TYR 97 Cb 0.75 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1rjh h TYR 97 CO 0.06 0.19 -0.03 0.93 -1.64 0.00 0.00 178.16 177.67 1rjh h GLU 98 N 0.46 -0.08 -0.58 1.82 4.39 -1.43 -2.20 114.58 116.95 1rjh h GLU 98 Ca 0.42 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.19 1rjh h GLU 98 Cb 0.95 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.59 1rjh h GLU 98 CO -0.15 0.39 0.39 -0.92 -1.16 0.00 0.00 179.01 177.55 1rjh h TYR 99 N -0.96 0.54 -0.04 4.33 3.20 -1.03 -1.34 116.97 121.66 1rjh h TYR 99 Ca -0.01 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1rjh h TYR 99 Cb 0.51 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 1rjh h TYR 99 CO 0.12 0.28 -0.25 1.25 -1.64 0.00 0.00 178.16 177.93 1rjh h LEU 100 N 0.53 -0.74 -1.70 2.82 5.85 -0.11 -0.30 115.31 121.66 1rjh h LEU 100 Ca 0.26 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1rjh h LEU 100 Cb 0.32 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1rjh h LEU 100 CO -0.07 -0.31 0.00 0.03 -0.34 0.00 0.00 178.44 177.75 1rjh h ARG 101 N -0.36 0.00 -0.13 1.25 3.08 -0.59 0.36 114.38 117.99 1rjh h ARG 101 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1rjh h ARG 101 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1rjh h ARG 101 CO -0.25 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.65 1rjh n GLN 102 N -2.94 1.41 0.00 0.04 10.64 -0.93 -3.98 117.38 121.62 1rjh n GLN 102 Ca -0.00 -1.46 0.00 0.00 -1.83 0.00 0.00 57.00 53.71 1rjh n GLN 102 Cb 0.23 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.40 1rjh n GLN 102 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1rjh n SER 103 N 0.49 0.11 -0.12 2.61 2.88 -0.17 -4.97 113.62 114.44 1rjh n SER 103 Ca 0.08 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.35 1rjh n SER 103 Cb 0.31 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.68 1rjh n SER 103 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1rjh n VAL 104 N -1.96 1.37 0.00 2.46 0.31 -0.33 -4.98 118.33 115.20 1rjh n VAL 104 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1rjh n VAL 104 Cb 0.02 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 1rjh n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rjh n GLY 105 N 1.47 3.64 0.27 2.92 0.00 0.11 -4.87 105.19 108.74 1rjh n GLY 105 Ca -0.49 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.29 1rjh n GLY 105 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1rjh h ASN 106 N 0.00 -0.54 -0.53 1.61 -1.24 -1.70 -0.90 115.58 112.28 1rjh h ASN 106 Ca 0.00 0.21 -0.11 0.00 0.71 0.00 0.00 56.30 57.10 1rjh h ASN 106 Cb 0.00 0.40 -0.07 0.00 0.73 0.00 0.00 38.32 39.39 1rjh h ASN 106 CO 0.00 -0.22 0.14 -1.84 -1.29 0.00 0.00 177.43 174.23 1rjh n GLU 107 N -5.43 3.43 -2.60 6.67 0.00 -1.26 -2.89 120.64 118.57 1rjh n GLU 107 Ca 0.11 -2.39 -0.27 0.00 0.00 0.00 0.00 57.16 54.61 1rjh n GLU 107 Cb 0.41 -2.04 0.01 0.00 0.00 0.00 0.00 31.44 29.81 1rjh n GLU 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1rjh s ALA 108 N -2.41 3.40 -0.11 -1.84 0.00 -0.34 -4.20 121.76 116.25 1rjh s ALA 108 Ca 0.42 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1rjh s ALA 108 Cb 0.33 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.90 1rjh s ALA 108 CO 0.11 -0.45 -0.16 -1.21 0.00 0.00 0.00 175.76 174.05 1rjh s GLU 109 N -4.79 2.33 0.04 0.00 2.02 -1.26 -1.65 118.70 115.39 1rjh s GLU 109 Ca 0.49 -0.60 0.08 0.00 0.02 0.00 0.00 54.97 54.95 1rjh s GLU 109 Cb -0.10 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 1rjh s GLU 109 CO 0.45 -0.05 -0.22 0.42 0.02 0.00 0.00 175.26 175.87 1rjh s ILE 110 N 0.95 1.80 0.25 -1.63 1.09 -0.17 -2.77 121.20 120.73 1rjh s ILE 110 Ca -0.07 -1.22 -0.30 0.00 -1.10 0.00 0.00 60.65 57.97 1rjh s ILE 110 Cb -0.15 -1.55 -0.09 0.00 -1.06 0.00 0.00 42.46 39.61 1rjh s ILE 110 CO -0.01 0.28 1.21 0.26 -0.10 0.00 0.00 174.94 176.58 1rjh s TRP 111 N -0.76 3.35 -0.72 3.97 0.52 -1.19 0.19 118.94 124.29 1rjh s TRP 111 Ca 0.09 1.47 0.26 0.00 0.02 0.00 0.00 56.10 57.94 1rjh s TRP 111 Cb -0.09 -3.48 0.66 0.00 -1.15 0.00 0.00 33.47 29.42 1rjh s TRP 111 CO 0.02 -1.28 1.62 1.28 0.02 0.00 0.00 176.95 178.61 1rjh n LEU 112 N 1.67 0.73 -0.16 2.99 4.77 -1.10 -4.52 117.00 121.38 1rjh n LEU 112 Ca 0.02 0.44 -0.02 0.00 -0.03 0.00 0.00 56.01 56.42 1rjh n LEU 112 Cb 0.44 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1rjh n LEU 112 CO 0.56 -0.12 -0.02 0.61 -1.33 0.00 0.00 177.39 177.09 1rjh n GLY 113 N 1.33 0.56 3.87 -0.72 0.00 -1.26 -3.35 105.19 105.61 1rjh n GLY 113 Ca 0.05 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1rjh n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rjh s LEU 114 N -0.48 4.37 -0.17 0.99 2.01 -1.26 -2.88 118.68 121.25 1rjh s LEU 114 Ca 0.00 0.76 -0.03 0.00 0.01 0.00 0.00 54.13 54.87 1rjh s LEU 114 Cb 0.00 -2.82 0.06 0.00 0.01 0.00 0.00 46.19 43.43 1rjh s LEU 114 CO 0.00 0.22 0.04 0.21 1.01 0.00 0.00 176.35 177.84 1rjh s ASN 115 N -1.61 2.62 -0.54 2.29 3.04 0.64 -4.71 114.94 116.67 1rjh s ASN 115 Ca 0.30 -0.68 -0.28 0.00 0.04 0.00 0.00 52.86 52.24 1rjh s ASN 115 Cb -0.14 -0.49 -0.00 0.00 -1.54 0.00 0.00 41.25 39.07 1rjh s ASN 115 CO 0.16 -0.30 1.62 1.51 -3.04 0.00 0.00 177.10 177.05 1rjh s ASP 116 N 1.94 5.83 0.02 -4.21 -4.77 -1.26 -0.03 116.67 114.19 1rjh s ASP 116 Ca 0.00 0.48 0.09 0.00 -3.30 0.00 0.00 52.55 49.82 1rjh s ASP 116 Cb -0.16 -2.54 -0.23 0.00 -1.09 0.00 0.00 42.92 38.90 1rjh s ASP 116 CO -0.08 -1.91 0.89 -0.03 0.70 0.00 0.00 175.17 174.75 1rjh h MET 117 N 12.53 0.03 -4.29 2.11 4.05 -1.90 -3.42 114.93 124.05 1rjh h MET 117 Ca -0.28 -0.04 -0.74 0.00 -0.28 0.00 0.00 59.70 58.36 1rjh h MET 117 Cb 1.13 0.02 -0.23 0.00 -0.80 0.00 0.00 31.60 31.72 1rjh h MET 117 CO 1.16 0.74 -0.16 0.00 0.23 0.00 0.00 176.91 178.89 1rjh s ALA 118 N -2.64 3.57 0.40 0.39 0.00 -1.13 -4.95 121.76 117.40 1rjh s ALA 118 Ca -0.03 -2.37 0.19 0.00 0.00 0.00 0.00 51.96 49.75 1rjh s ALA 118 Cb 0.09 -3.30 1.12 0.00 0.00 0.00 0.00 23.12 21.03 1rjh s ALA 118 CO 0.82 -2.04 1.76 0.00 0.00 0.00 0.00 175.76 176.31 1rjh h ALA 119 N 8.94 2.25 -1.20 0.00 0.00 -1.83 -2.25 119.26 125.16 1rjh h ALA 119 Ca -0.30 0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.01 1rjh h ALA 119 Cb 1.10 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 1rjh h ALA 119 CO 1.02 -0.67 1.69 -1.83 0.00 0.00 0.00 179.25 179.46 1rjh s GLU 120 N -5.48 3.84 -1.32 0.00 1.03 -1.26 -4.49 118.70 111.01 1rjh s GLU 120 Ca -0.09 -1.79 0.00 0.00 0.03 0.00 0.00 54.97 53.12 1rjh s GLU 120 Cb 0.26 -5.33 0.00 0.00 -0.80 0.00 0.00 34.13 28.25 1rjh s GLU 120 CO 0.80 -2.11 0.00 0.41 -1.33 0.00 0.00 175.26 173.03 1rjh n GLY 121 N 5.66 1.20 2.98 -3.83 0.00 -1.24 -4.89 105.19 105.08 1rjh n GLY 121 Ca 0.39 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1rjh n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rjh s THR 122 N -2.10 3.47 0.42 2.61 2.01 -0.85 -5.01 115.64 116.20 1rjh s THR 122 Ca 0.00 -4.14 -0.25 0.00 0.31 0.00 0.00 61.69 57.61 1rjh s THR 122 Cb 0.00 -3.22 -0.08 0.00 0.01 0.00 0.00 72.50 69.21 1rjh s THR 122 CO 0.00 -1.04 1.22 0.26 -0.69 0.00 0.00 174.62 174.37 1rjh s TRP 123 N -1.44 2.91 -0.07 4.92 0.52 -1.26 -2.85 118.94 121.67 1rjh s TRP 123 Ca 0.26 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.88 1rjh s TRP 123 Cb -0.05 -3.50 -0.03 0.00 -1.15 0.00 0.00 33.47 28.74 1rjh s TRP 123 CO -0.15 -1.67 -0.06 0.08 0.02 0.00 0.00 176.95 175.16 1rjh s VAL 124 N -1.39 3.77 0.59 4.03 1.01 0.96 -2.96 120.40 126.41 1rjh s VAL 124 Ca 0.59 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 1rjh s VAL 124 Cb -0.33 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1rjh s VAL 124 CO 0.41 0.60 1.08 -1.81 0.00 0.00 0.00 175.10 175.38 1rjh s ASP 125 N -0.81 5.65 0.60 3.32 1.01 0.16 -0.26 116.67 126.33 1rjh s ASP 125 Ca 0.12 1.93 0.29 0.00 0.71 0.00 0.00 52.55 55.61 1rjh s ASP 125 Cb -0.11 -2.55 1.66 0.00 1.01 0.00 0.00 42.92 42.93 1rjh s ASP 125 CO 0.02 -1.26 2.07 0.24 0.21 0.00 0.00 175.17 176.44 1rjh h MET 126 N 0.55 0.00 -0.14 8.23 2.86 -1.86 -0.02 114.93 124.56 1rjh h MET 126 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1rjh h MET 126 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1rjh h MET 126 CO 0.57 0.00 0.00 -2.37 1.06 0.00 0.00 176.91 176.17 1rjh n THR 127 N -3.70 0.17 -1.72 2.22 5.66 -1.26 -4.91 114.28 110.75 1rjh n THR 127 Ca 0.02 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1rjh n THR 127 Cb 0.37 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 1rjh n THR 127 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rjh n GLY 128 N 1.09 0.94 3.38 1.09 0.00 -0.02 -5.08 105.19 106.59 1rjh n GLY 128 Ca 0.16 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 1rjh n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjh s ALA 129 N -2.57 2.07 -0.19 4.61 0.00 -1.25 -4.92 121.76 119.51 1rjh s ALA 129 Ca 0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 51.96 50.06 1rjh s ALA 129 Cb 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1rjh s ALA 129 CO 0.00 -0.17 0.04 1.03 0.00 0.00 0.00 175.76 176.65 1rjh s ARG 130 N -3.80 3.81 0.58 0.00 0.52 -1.26 0.36 118.95 119.16 1rjh s ARG 130 Ca 0.29 -0.42 -0.18 0.00 -0.52 0.00 0.00 55.73 54.90 1rjh s ARG 130 Cb 0.05 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 1rjh s ARG 130 CO 0.10 0.15 1.12 0.96 0.02 0.00 0.00 175.30 177.65 1rjh s ILE 131 N 0.68 3.22 -0.66 1.52 -4.36 -1.16 -4.96 121.20 115.48 1rjh s ILE 131 Ca 0.02 0.69 0.06 0.00 -0.26 0.00 0.00 60.65 61.15 1rjh s ILE 131 Cb -0.14 -3.23 0.08 0.00 1.25 0.00 0.00 42.46 40.43 1rjh s ILE 131 CO 0.02 -0.24 0.83 0.00 0.24 0.00 0.00 174.94 175.79 1rjh n ALA 132 N -1.70 2.37 -3.71 2.27 0.00 -1.19 -4.90 120.51 113.65 1rjh n ALA 132 Ca 0.11 -0.71 -0.17 0.00 0.00 0.00 0.00 53.44 52.67 1rjh n ALA 132 Cb 0.51 -0.21 -0.16 0.00 0.00 0.00 0.00 19.45 19.59 1rjh n ALA 132 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1rjh s TYR 133 N -0.65 -0.03 -0.03 0.00 5.04 -1.00 -4.98 117.35 115.71 1rjh s TYR 133 Ca 0.09 0.32 0.01 0.00 -2.44 0.00 0.00 57.07 55.04 1rjh s TYR 133 Cb 0.05 -0.31 0.02 0.00 0.35 0.00 0.00 41.96 42.07 1rjh s TYR 133 CO 0.08 -0.17 -0.01 -1.59 -1.34 0.00 0.00 175.55 172.51 1rjh s LYS 134 N 1.74 0.42 -0.18 4.97 -2.85 -1.26 -4.64 119.74 117.93 1rjh s LYS 134 Ca -0.01 0.02 -0.02 0.00 -1.00 0.00 0.00 55.97 54.95 1rjh s LYS 134 Cb -0.12 -0.55 0.06 0.00 -2.06 0.00 0.00 37.83 35.16 1rjh s LYS 134 CO -0.04 -0.11 0.02 1.21 0.10 0.00 0.00 175.35 176.53 1rjh s ASN 135 N 0.91 2.82 -0.11 0.03 3.84 -1.26 -5.11 114.94 116.06 1rjh s ASN 135 Ca -0.10 -0.75 0.03 0.00 0.21 0.00 0.00 52.86 52.25 1rjh s ASN 135 Cb -0.13 -0.64 0.01 0.00 -0.55 0.00 0.00 41.25 39.94 1rjh s ASN 135 CO -0.01 -0.28 -0.22 0.26 -2.79 0.00 0.00 177.10 174.06 1rjh s TRP 136 N 1.83 2.47 -0.01 0.43 0.52 -1.26 -0.77 118.94 122.14 1rjh s TRP 136 Ca -0.01 -1.10 0.28 0.00 0.02 0.00 0.00 56.10 55.30 1rjh s TRP 136 Cb -0.17 -1.67 1.00 0.00 -1.15 0.00 0.00 33.47 31.48 1rjh s TRP 136 CO -0.08 -0.48 1.85 1.49 0.02 0.00 0.00 176.95 179.76 1rjh h GLU 137 N 6.98 0.00 -0.61 4.98 4.57 -1.86 -2.88 114.58 125.75 1rjh h GLU 137 Ca -0.25 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.69 1rjh h GLU 137 Cb 1.22 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.67 1rjh h GLU 137 CO 0.50 0.08 0.21 -2.37 -1.18 0.00 0.00 179.01 176.25 1rjh n THR 138 N -3.17 2.79 -1.78 0.32 5.66 -1.26 -4.95 114.28 111.88 1rjh n THR 138 Ca 0.01 -2.03 -0.39 0.00 -3.05 0.00 0.00 64.05 58.59 1rjh n THR 138 Cb 0.40 -0.35 -0.03 0.00 -1.55 0.00 0.00 70.33 68.79 1rjh n THR 138 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1rjh s GLU 139 N -3.10 2.56 0.14 1.09 2.56 -1.09 -4.95 118.70 115.91 1rjh s GLU 139 Ca 0.51 1.22 -0.07 0.00 0.00 0.00 0.00 54.97 56.63 1rjh s GLU 139 Cb 0.42 -4.44 -0.06 0.00 2.00 0.00 0.00 34.13 32.05 1rjh s GLU 139 CO 0.09 -2.77 0.42 0.96 -0.56 0.00 0.00 175.26 173.39 1rjh s ILE 140 N 10.01 5.10 -0.09 -3.70 -4.36 -1.26 -4.98 121.20 121.92 1rjh s ILE 140 Ca 0.86 0.22 0.07 0.00 -0.26 0.00 0.00 60.65 61.53 1rjh s ILE 140 Cb -0.18 -3.63 0.11 0.00 1.25 0.00 0.00 42.46 40.01 1rjh s ILE 140 CO 0.26 0.08 1.07 0.35 0.24 0.00 0.00 174.94 176.94 1rjh n THR 141 N 0.24 1.30 -4.50 8.37 -2.24 -1.26 -5.02 114.28 111.17 1rjh n THR 141 Ca -0.03 -1.40 -0.22 0.00 -2.27 0.00 0.00 64.05 60.12 1rjh n THR 141 Cb 0.52 0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.87 1rjh n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rjh s ALA 142 N -1.60 1.41 -0.19 6.98 0.00 -1.26 -5.14 121.76 121.95 1rjh s ALA 142 Ca 0.12 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 1rjh s ALA 142 Cb 0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1rjh s ALA 142 CO 0.02 0.30 0.08 -0.65 0.00 0.00 0.00 175.76 175.50 1rjh s GLN 143 N -1.07 4.00 -0.01 0.00 -0.21 -1.26 -5.03 119.66 116.08 1rjh s GLN 143 Ca 0.04 -0.33 -0.16 0.00 0.02 0.00 0.00 55.36 54.94 1rjh s GLN 143 Cb -0.08 -3.26 -0.09 0.00 1.00 0.00 0.00 33.01 30.58 1rjh s GLN 143 CO 0.01 0.25 0.79 -1.35 -2.12 0.00 0.00 175.29 172.87 1rjh h PRO 144 N 6.80 -0.55 0.02 2.91 0.11 -2.00 -3.40 132.00 135.88 1rjh h PRO 144 Ca -0.38 0.04 -0.38 0.00 0.11 0.00 0.00 66.00 65.40 1rjh h PRO 144 Cb 1.17 0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 1rjh h PRO 144 CO 0.70 -0.37 -2.32 -0.40 -0.21 0.00 0.00 178.00 175.40 1rjh n ASP 145 N -4.50 1.57 0.00 -2.05 5.75 -1.26 -5.00 116.55 111.07 1rjh n ASP 145 Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 1rjh n ASP 145 Cb 0.23 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1rjh n ASP 145 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rjh n GLY 146 N 2.07 0.62 0.00 6.12 0.00 -1.26 -4.95 105.19 107.79 1rjh n GLY 146 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1rjh n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjh n GLY 147 N 0.00 0.00 3.64 -0.02 0.00 -1.26 -5.05 105.19 102.50 1rjh n GLY 147 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1rjh n GLY 147 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rjh s LYS 148 N 0.00 4.14 -0.12 1.61 2.20 -1.26 -5.05 119.74 121.25 1rjh s LYS 148 Ca 0.00 0.59 0.02 0.00 -0.36 0.00 0.00 55.97 56.22 1rjh s LYS 148 Cb 0.00 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1rjh s LYS 148 CO 0.00 -0.38 -0.19 0.95 -0.36 0.00 0.00 175.35 175.37 1rjh s THR 149 N 2.39 1.78 -0.21 3.43 -4.23 -1.26 -4.94 115.64 112.60 1rjh s THR 149 Ca 0.27 -0.81 -0.08 0.00 -1.18 0.00 0.00 61.69 59.89 1rjh s THR 149 Cb -0.16 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.05 1rjh s THR 149 CO 0.09 0.50 0.09 -1.83 -0.54 0.00 0.00 174.62 172.93 1rjh s GLU 150 N 0.89 3.93 -0.10 3.99 -1.05 -1.26 -5.09 118.70 120.01 1rjh s GLU 150 Ca -0.07 -0.35 0.01 0.00 -0.15 0.00 0.00 54.97 54.40 1rjh s GLU 150 Cb -0.15 -3.34 0.02 0.00 -0.44 0.00 0.00 34.13 30.22 1rjh s GLU 150 CO -0.02 0.10 -0.10 0.54 0.95 0.00 0.00 175.26 176.74 1rjh s ASN 151 N 0.86 2.09 -0.31 0.83 4.22 -1.26 -4.98 114.94 116.39 1rjh s ASN 151 Ca 0.05 -0.32 -0.05 0.00 -2.14 0.00 0.00 52.86 50.40 1rjh s ASN 151 Cb -0.13 -0.87 0.19 0.00 1.28 0.00 0.00 41.25 41.71 1rjh s ASN 151 CO 0.03 -0.06 0.89 0.00 -2.04 0.00 0.00 177.10 175.92 1rjh s ALA 153 N 2.66 3.35 0.01 0.00 0.00 -1.26 -1.53 121.76 124.99 1rjh s ALA 153 Ca 0.20 0.79 0.06 0.00 0.00 0.00 0.00 51.96 53.01 1rjh s ALA 153 Cb -0.03 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1rjh s ALA 153 CO -0.21 -0.27 -0.18 0.08 0.00 0.00 0.00 175.76 175.18 1rjh s VAL 154 N 0.28 1.45 -0.38 0.00 1.01 0.84 -2.72 120.40 120.89 1rjh s VAL 154 Ca 0.52 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1rjh s VAL 154 Cb -0.28 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1rjh s VAL 154 CO 0.32 0.31 0.32 -0.22 0.00 0.00 0.00 175.10 175.83 1rjh s LEU 155 N -0.68 4.78 -0.37 3.92 2.96 0.13 0.38 118.68 129.79 1rjh s LEU 155 Ca 0.07 -0.60 -0.09 0.00 -0.22 0.00 0.00 54.13 53.28 1rjh s LEU 155 Cb -0.07 -2.22 0.04 0.00 0.50 0.00 0.00 46.19 44.43 1rjh s LEU 155 CO 0.00 -0.39 0.18 -0.94 -1.32 0.00 0.00 176.35 173.88 1rjh s SER 156 N 1.72 5.59 0.45 3.68 1.04 -1.23 -0.99 113.70 123.96 1rjh s SER 156 Ca 0.08 -1.10 0.25 0.00 0.48 0.00 0.00 55.95 55.66 1rjh s SER 156 Cb -0.18 -1.97 0.82 0.00 0.10 0.00 0.00 66.02 64.80 1rjh s SER 156 CO 0.11 -0.38 1.78 1.23 0.98 0.00 0.00 173.24 176.96 1rjh h GLY 157 N 8.36 0.00 2.00 7.32 0.00 -1.42 -2.90 103.07 116.43 1rjh h GLY 157 Ca -0.24 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1rjh h GLY 157 CO 0.66 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 177.08 1rjh h ALA 158 N 1.84 1.32 0.05 3.60 0.00 -1.70 -3.13 119.26 121.24 1rjh h ALA 158 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1rjh h ALA 158 Cb 0.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1rjh h ALA 158 CO 0.02 0.15 -0.02 0.00 0.00 0.00 0.00 179.25 179.39 1rjh h ALA 159 N 1.88 -0.07 0.00 0.00 0.00 -1.85 -3.49 119.26 115.73 1rjh h ALA 159 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rjh h ALA 159 Cb 0.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rjh h ALA 159 CO 0.02 -0.06 0.00 0.27 0.00 0.00 0.00 179.25 179.47 1rjh n ASN 160 N -4.81 0.00 0.00 0.00 0.23 -1.18 -5.00 115.26 104.50 1rjh n ASN 160 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 1rjh n ASN 160 Cb 0.03 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1rjh n ASN 160 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rjh n GLY 161 N 0.00 1.69 3.75 4.83 0.00 -1.18 -4.96 105.19 109.32 1rjh n GLY 161 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1rjh n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjh s LYS 162 N 0.00 2.34 0.10 1.61 1.02 -1.26 -4.96 119.74 118.58 1rjh s LYS 162 Ca 0.00 -1.66 -0.27 0.00 0.02 0.00 0.00 55.97 54.06 1rjh s LYS 162 Cb 0.00 -2.13 -0.06 0.00 -0.52 0.00 0.00 37.83 35.12 1rjh s LYS 162 CO 0.00 -0.02 0.86 -1.58 -0.92 0.00 0.00 175.35 173.69 1rjh s TRP 163 N -2.50 3.81 0.00 3.18 0.52 0.05 -3.52 118.94 120.48 1rjh s TRP 163 Ca 0.40 1.65 0.00 0.00 0.02 0.00 0.00 56.10 58.18 1rjh s TRP 163 Cb -0.00 -2.92 0.00 0.00 -1.15 0.00 0.00 33.47 29.40 1rjh s TRP 163 CO 0.23 0.29 0.00 1.19 0.02 0.00 0.00 176.95 178.69 1rjh n PHE 164 N 2.53 0.00 -3.83 -1.98 3.01 0.16 -3.30 117.46 114.05 1rjh n PHE 164 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.33 1rjh n PHE 164 Cb 0.49 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.83 1rjh n PHE 164 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1rjh s ASP 165 N -0.81 -0.11 0.13 4.37 -1.08 -1.26 -0.11 116.67 117.80 1rjh s ASP 165 Ca 0.00 0.22 -0.01 0.00 -0.52 0.00 0.00 52.55 52.25 1rjh s ASP 165 Cb 0.00 0.22 -0.04 0.00 -1.46 0.00 0.00 42.92 41.63 1rjh s ASP 165 CO 0.00 -0.05 0.04 -0.54 0.52 0.00 0.00 175.17 175.15 1rjh s LYS 166 N 0.16 0.94 0.33 4.34 1.02 -0.58 -4.90 119.74 121.05 1rjh s LYS 166 Ca -0.01 -1.44 -0.28 0.00 0.02 0.00 0.00 55.97 54.26 1rjh s LYS 166 Cb -0.02 0.17 -0.09 0.00 -0.52 0.00 0.00 37.83 37.37 1rjh s LYS 166 CO -0.00 -0.24 1.18 0.50 -0.92 0.00 0.00 175.35 175.87 1rjh s ARG 167 N -4.02 4.39 0.00 1.68 6.06 -1.26 -3.97 118.95 121.82 1rjh s ARG 167 Ca 0.23 1.93 0.05 0.00 -2.50 0.00 0.00 55.73 55.44 1rjh s ARG 167 Cb 0.07 -3.00 0.25 0.00 0.06 0.00 0.00 34.95 32.33 1rjh s ARG 167 CO 0.01 -0.06 1.00 0.00 -2.50 0.00 0.00 175.30 173.76 1rjh n ARG 169 N -1.30 2.56 -3.40 0.00 0.63 -1.26 -0.25 116.66 113.65 1rjh n ARG 169 Ca 0.02 -2.80 -0.35 0.00 -0.92 0.00 0.00 57.85 53.80 1rjh n ARG 169 Cb 0.04 -1.78 -0.06 0.00 0.45 0.00 0.00 32.46 31.12 1rjh n ARG 169 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1rjh s ASP 170 N -2.15 6.79 -0.77 6.15 2.15 -0.58 -4.76 116.67 123.50 1rjh s ASP 170 Ca 0.40 1.02 -0.18 0.00 0.43 0.00 0.00 52.55 54.22 1rjh s ASP 170 Cb 0.33 -2.27 0.13 0.00 -0.30 0.00 0.00 42.92 40.82 1rjh s ASP 170 CO 0.07 0.11 0.90 -1.10 -0.17 0.00 0.00 175.17 174.98 1rjh s GLN 171 N -1.98 3.36 0.15 4.34 1.11 -1.26 -3.88 119.66 121.50 1rjh s GLN 171 Ca 0.37 -1.65 0.06 0.00 0.01 0.00 0.00 55.36 54.15 1rjh s GLN 171 Cb -0.15 -4.53 -0.04 0.00 -1.01 0.00 0.00 33.01 27.28 1rjh s GLN 171 CO 0.19 -1.61 -0.13 -0.48 0.01 0.00 0.00 175.29 173.27 1rjh s LEU 172 N 2.34 2.49 1.37 2.90 0.05 -1.17 -4.65 118.68 122.00 1rjh s LEU 172 Ca 0.21 -0.93 -0.22 0.00 0.05 0.00 0.00 54.13 53.24 1rjh s LEU 172 Cb -0.14 -0.51 0.35 0.00 -2.05 0.00 0.00 46.19 43.84 1rjh s LEU 172 CO -0.02 -0.21 0.99 -2.84 -0.55 0.00 0.00 176.35 173.71 1rjh s PRO 173 N -3.29 -2.53 0.21 1.48 0.02 -1.12 -3.08 135.00 126.69 1rjh s PRO 173 Ca 0.15 0.01 -0.17 0.00 0.02 0.00 0.00 61.00 61.01 1rjh s PRO 173 Cb -0.01 -1.44 0.02 0.00 0.02 0.00 0.00 34.50 33.09 1rjh s PRO 173 CO 0.03 -4.59 0.53 1.52 -0.33 0.00 0.00 177.00 174.16 1rjh s TYR 174 N -2.52 -0.03 -0.08 6.54 1.13 -1.22 -3.17 117.35 118.00 1rjh s TYR 174 Ca 0.70 -0.33 0.03 0.00 -1.41 0.00 0.00 57.07 56.06 1rjh s TYR 174 Cb -0.11 0.38 0.01 0.00 -1.10 0.00 0.00 41.96 41.14 1rjh s TYR 174 CO 0.57 -0.96 -0.19 0.42 -2.51 0.00 0.00 175.55 172.88 1rjh s ILE 175 N -3.91 1.63 -0.17 -3.49 1.01 -1.26 -4.23 121.20 110.77 1rjh s ILE 175 Ca 0.12 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1rjh s ILE 175 Cb -0.01 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1rjh s ILE 175 CO 0.00 0.46 0.09 0.00 0.00 0.00 0.00 174.94 175.49 1rjh s GLN 177 N 0.07 3.37 -0.07 0.00 2.00 0.30 -4.82 119.66 120.50 1rjh s GLN 177 Ca 0.07 -0.23 -0.01 0.00 -2.00 0.00 0.00 55.36 53.19 1rjh s GLN 177 Cb -0.12 -3.93 0.03 0.00 0.80 0.00 0.00 33.01 29.79 1rjh s GLN 177 CO 0.00 -1.01 -0.01 0.12 -0.50 0.00 0.00 175.29 173.90 1rjh s PHE 178 N 2.95 0.70 0.00 1.67 2.19 -1.26 -1.99 117.98 122.24 1rjh s PHE 178 Ca 0.25 -0.19 0.00 0.00 0.33 0.00 0.00 56.93 57.32 1rjh s PHE 178 Cb -0.14 -0.78 0.00 0.00 -1.31 0.00 0.00 43.02 40.80 1rjh s PHE 178 CO 0.20 -0.31 0.00 0.41 1.83 0.00 0.00 175.22 177.35 1rjh n GLY 179 N 4.92 0.92 3.47 13.12 0.00 -1.26 -4.92 105.19 121.44 1rjh n GLY 179 Ca -0.11 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 1rjh n GLY 179 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rjh n ILE 180 N -1.49 3.00 -0.59 -0.61 3.06 -1.26 -5.25 119.36 116.21 1rjh n ILE 180 Ca 0.00 -3.05 0.00 0.00 -2.50 0.00 0.00 62.75 57.20 1rjh n ILE 180 Cb 0.50 -2.30 0.00 0.00 0.54 0.00 0.00 39.64 38.37 1rjh n ILE 180 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57