#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddm h GLN 68 N 0.00 -0.02 0.00 1.57 4.15 -2.05 -3.08 115.11 115.67 1ddm h GLN 68 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1ddm h GLN 68 Cb 0.00 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1ddm h GLN 68 CO 0.00 0.66 -0.07 -1.49 -1.93 0.00 0.00 178.83 175.99 1ddm h TRP 69 N -0.96 0.00 0.00 3.99 6.55 -2.01 0.94 115.95 124.46 1ddm h TRP 69 Ca -0.00 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.73 1ddm h TRP 69 Cb 0.69 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.98 1ddm h TRP 69 CO 0.18 0.07 -0.52 1.96 -1.05 0.00 0.00 178.44 179.09 1ddm h GLN 70 N 0.00 0.00 -0.43 0.49 4.20 -2.03 -2.54 115.11 114.81 1ddm h GLN 70 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ddm h GLN 70 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1ddm h GLN 70 CO 0.01 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.69 1ddm n ALA 71 N -2.32 2.35 -0.05 3.87 0.00 -0.39 -4.45 120.51 119.52 1ddm n ALA 71 Ca -0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 53.44 52.07 1ddm n ALA 71 Cb 0.62 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 1ddm n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ddm n ASP 72 N 0.66 2.77 -0.31 0.00 9.92 0.19 -3.87 116.55 125.91 1ddm n ASP 72 Ca 0.16 -0.02 -0.04 0.00 -0.53 0.00 0.00 54.79 54.36 1ddm n ASP 72 Cb 0.54 0.49 0.08 0.00 -0.64 0.00 0.00 41.12 41.59 1ddm n ASP 72 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1ddm h GLU 73 N 0.00 1.12 -0.01 -1.24 4.81 -1.67 -1.85 114.58 115.74 1ddm h GLU 73 Ca -0.26 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1ddm h GLU 73 Cb 1.54 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1ddm h GLU 73 CO -0.00 0.76 -0.33 0.39 -0.73 0.00 0.00 179.01 179.10 1ddm n GLU 74 N -4.47 0.91 -0.07 1.92 1.02 -1.26 -4.19 120.64 114.49 1ddm n GLU 74 Ca 0.09 -0.61 -0.11 0.00 -0.02 0.00 0.00 57.16 56.50 1ddm n GLU 74 Cb 0.03 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 1ddm n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddm h ALA 75 N 3.72 0.30 -0.46 0.62 0.00 -1.44 -2.42 119.26 119.57 1ddm h ALA 75 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1ddm h ALA 75 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ddm h ALA 75 CO 0.00 0.02 0.02 0.28 0.00 0.00 0.00 179.25 179.57 1ddm h VAL 76 N 0.16 1.23 -0.94 0.00 2.07 -1.71 -2.39 116.25 114.67 1ddm h VAL 76 Ca 0.06 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1ddm h VAL 76 Cb 0.39 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1ddm h VAL 76 CO 0.01 0.33 0.62 0.03 0.02 0.00 0.00 177.57 178.58 1ddm h ARG 77 N 0.71 1.19 0.00 1.57 3.08 -1.71 -2.54 114.38 116.67 1ddm h ARG 77 Ca 0.14 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ddm h ARG 77 Cb 0.41 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1ddm h ARG 77 CO 0.01 0.79 0.00 -1.13 -1.07 0.00 0.00 179.97 178.57 1ddm n SER 78 N -4.42 0.00 -1.24 7.04 3.41 -0.92 -4.82 113.62 112.67 1ddm n SER 78 Ca 0.12 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1ddm n SER 78 Cb 0.06 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 1ddm n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ddm n ALA 79 N -3.00 -1.42 -3.15 7.33 0.00 -0.97 -4.64 120.51 114.67 1ddm n ALA 79 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1ddm n ALA 79 Cb 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 19.45 19.01 1ddm n ALA 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ddm s THR 80 N 0.01 -0.20 0.00 0.00 -1.32 -0.95 -4.40 115.64 108.77 1ddm s THR 80 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1ddm s THR 80 Cb 0.02 -0.34 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 1ddm s THR 80 CO -0.01 0.00 0.30 0.00 -2.21 0.00 0.00 174.62 172.70 1ddm n SER 82 N -0.00 0.00 -0.91 0.00 2.88 -1.25 -4.68 113.62 109.65 1ddm n SER 82 Ca 0.00 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1ddm n SER 82 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1ddm n SER 82 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ddm n PHE 83 N -0.38 -0.68 -1.39 0.66 3.72 -1.01 -4.81 117.46 113.58 1ddm n PHE 83 Ca 0.00 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.94 1ddm n PHE 83 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 1ddm n PHE 83 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ddm n SER 84 N -1.38 -1.52 -0.56 4.37 2.88 -1.26 -0.73 113.62 115.42 1ddm n SER 84 Ca 0.00 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 1ddm n SER 84 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1ddm n SER 84 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ddm n VAL 85 N -0.33 0.00 -2.88 2.46 0.24 -0.54 -2.69 118.33 114.58 1ddm n VAL 85 Ca 0.15 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.33 1ddm n VAL 85 Cb 0.31 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.69 1ddm n VAL 85 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1ddm n LYS 86 N 0.00 0.72 -1.55 7.34 3.00 0.44 -4.36 118.16 123.75 1ddm n LYS 86 Ca 0.00 -2.18 -0.36 0.00 -0.00 0.00 0.00 58.31 55.77 1ddm n LYS 86 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 35.03 33.59 1ddm n LYS 86 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1ddm n TYR 87 N 1.76 1.42 -0.02 5.64 9.36 -1.26 -3.07 117.16 130.99 1ddm n TYR 87 Ca 0.14 0.12 -0.18 0.00 3.32 0.00 0.00 57.90 61.30 1ddm n TYR 87 Cb 0.59 -2.64 -0.07 0.00 -0.63 0.00 0.00 39.34 36.59 1ddm n TYR 87 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1ddm h LEU 88 N 19.69 0.93 0.00 2.98 4.07 -1.64 -2.10 115.31 139.24 1ddm h LEU 88 Ca -0.23 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.09 1ddm h LEU 88 Cb 1.27 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1ddm h LEU 88 CO 1.16 1.42 0.00 0.61 -1.08 0.00 0.00 178.44 180.55 1ddm n GLY 89 N 0.73 -0.17 3.60 0.83 0.00 -1.24 0.66 105.19 109.60 1ddm n GLY 89 Ca -0.08 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 1ddm n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddm s VAL 91 N -0.07 1.55 0.32 0.00 -7.23 -0.91 -4.96 120.40 109.11 1ddm s VAL 91 Ca -0.02 -1.71 -0.27 0.00 -1.81 0.00 0.00 61.98 58.17 1ddm s VAL 91 Cb -0.04 -1.59 -0.09 0.00 0.56 0.00 0.00 36.38 35.22 1ddm s VAL 91 CO 0.02 -0.29 1.05 -1.83 -0.31 0.00 0.00 175.10 173.74 1ddm s GLU 92 N -2.46 4.49 0.40 4.82 -1.05 -1.26 -1.92 118.70 121.72 1ddm s GLU 92 Ca 0.10 1.62 0.03 0.00 -0.15 0.00 0.00 54.97 56.57 1ddm s GLU 92 Cb -0.07 -2.94 -0.01 0.00 -0.44 0.00 0.00 34.13 30.68 1ddm s GLU 92 CO 0.04 0.13 0.10 1.33 0.95 0.00 0.00 175.26 177.81 1ddm n VAL 93 N 0.72 0.00 -3.09 1.83 0.24 -0.72 -4.93 118.33 112.39 1ddm n VAL 93 Ca 0.01 -2.21 -0.16 0.00 -2.04 0.00 0.00 64.34 59.94 1ddm n VAL 93 Cb 0.47 0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 33.54 1ddm n VAL 93 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1ddm n PHE 94 N -0.93 -0.29 0.00 6.34 3.72 -1.26 -4.60 117.46 120.44 1ddm n PHE 94 Ca -0.09 -3.50 0.00 0.00 -0.05 0.00 0.00 57.45 53.82 1ddm n PHE 94 Cb 0.57 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1ddm n PHE 94 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1ddm n GLU 95 N 0.27 0.00 -1.44 -1.08 4.07 -1.26 -5.00 120.64 116.19 1ddm n GLU 95 Ca 0.21 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.16 1ddm n GLU 95 Cb 0.67 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.99 1ddm n GLU 95 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1ddm n SER 96 N -1.12 -5.22 -2.58 4.31 7.64 -1.26 -4.88 113.62 110.52 1ddm n SER 96 Ca 0.00 0.38 -0.27 0.00 1.01 0.00 0.00 58.87 59.99 1ddm n SER 96 Cb 0.00 -4.07 -0.01 0.00 -1.01 0.00 0.00 64.21 59.13 1ddm n SER 96 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ddm n ARG 97 N -2.05 3.39 0.00 1.43 1.74 -1.26 -4.91 116.66 115.01 1ddm n ARG 97 Ca -0.15 -4.56 0.00 0.00 -0.77 0.00 0.00 57.85 52.36 1ddm n ARG 97 Cb 0.57 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 1ddm n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ddm n GLY 98 N -0.44 0.56 0.10 -0.13 0.00 -1.26 -5.02 105.19 99.00 1ddm n GLY 98 Ca 0.38 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 1ddm n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddm h MET 99 N 0.00 0.00 0.00 1.61 -0.00 -2.00 -3.29 114.93 111.25 1ddm h MET 99 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1ddm h MET 99 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1ddm h MET 99 CO 0.00 0.55 0.00 1.96 -0.00 0.00 0.00 176.91 179.42 1ddm h GLN 100 N 0.00 0.00 -0.58 -0.10 4.20 -1.95 -2.28 115.11 114.40 1ddm h GLN 100 Ca -0.11 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.66 1ddm h GLN 100 Cb 1.66 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.41 1ddm h GLN 100 CO 0.08 0.00 0.38 0.28 -0.67 0.00 0.00 178.83 178.90 1ddm h VAL 101 N 0.00 1.00 0.08 -0.54 2.07 -1.97 -1.20 116.25 115.69 1ddm h VAL 101 Ca 0.00 -0.19 -0.27 0.00 0.82 0.00 0.00 66.70 67.05 1ddm h VAL 101 Cb 0.16 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1ddm h VAL 101 CO 0.00 0.10 -1.35 0.00 0.02 0.00 0.00 177.57 176.34 1ddm h GLU 103 N 0.04 0.00 0.00 0.00 4.81 -1.32 -1.94 114.58 116.18 1ddm h GLU 103 Ca -0.16 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.70 1ddm h GLU 103 Cb 1.94 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.27 1ddm h GLU 103 CO 0.15 0.02 -2.25 0.39 -0.73 0.00 0.00 179.01 176.59 1ddm n GLU 104 N -3.16 0.50 -0.14 1.92 -0.58 -0.55 -4.27 120.64 114.36 1ddm n GLU 104 Ca -0.01 0.18 -0.04 0.00 -0.42 0.00 0.00 57.16 56.87 1ddm n GLU 104 Cb 0.21 -1.35 0.05 0.00 -0.57 0.00 0.00 31.44 29.78 1ddm n GLU 104 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ddm h ALA 105 N -0.53 0.54 -0.41 0.62 0.00 -1.19 -0.52 119.26 117.78 1ddm h ALA 105 Ca -0.54 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1ddm h ALA 105 Cb 1.59 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1ddm h ALA 105 CO -0.25 -0.24 0.27 1.25 0.00 0.00 0.00 179.25 180.28 1ddm h LEU 106 N 0.32 0.31 -0.23 0.00 5.85 -1.58 -1.64 115.31 118.34 1ddm h LEU 106 Ca 0.21 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.73 1ddm h LEU 106 Cb 0.22 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.19 1ddm h LEU 106 CO -0.23 0.21 -0.68 0.50 -0.34 0.00 0.00 178.44 177.91 1ddm h LYS 107 N 0.36 0.82 -0.92 1.25 3.64 -1.33 -3.09 116.57 117.30 1ddm h LYS 107 Ca 0.17 -0.60 0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1ddm h LYS 107 Cb 0.24 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1ddm h LYS 107 CO -0.04 1.22 0.59 0.28 -2.27 0.00 0.00 179.45 179.23 1ddm h VAL 108 N 0.60 1.10 0.00 2.00 2.07 -0.27 -0.50 116.25 121.24 1ddm h VAL 108 Ca -0.02 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1ddm h VAL 108 Cb 1.29 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1ddm h VAL 108 CO 0.14 0.20 -0.21 -0.07 0.02 0.00 0.00 177.57 177.65 1ddm h LEU 109 N 1.11 0.00 -0.25 2.57 3.38 -1.45 -0.83 115.31 119.85 1ddm h LEU 109 Ca 0.39 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.20 1ddm h LEU 109 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ddm h LEU 109 CO -0.15 0.21 -0.73 -0.09 0.09 0.00 0.00 178.44 177.78 1ddm h ARG 110 N 0.00 0.00 0.00 1.13 2.43 -1.05 -3.20 114.38 113.69 1ddm h ARG 110 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1ddm h ARG 110 Cb 0.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1ddm h ARG 110 CO 0.03 0.73 -0.74 1.96 -1.51 0.00 0.00 179.97 180.44 1ddm h GLN 111 N 0.00 0.00 -6.19 0.20 4.20 -0.64 -3.47 115.11 109.21 1ddm h GLN 111 Ca -0.01 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.21 1ddm h GLN 111 Cb 1.45 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.20 1ddm h GLN 111 CO 0.09 0.24 -0.38 -1.12 -0.67 0.00 0.00 178.83 176.99 1ddm s SER 112 N -6.01 5.11 -1.07 1.46 0.01 -0.38 -5.05 113.70 107.78 1ddm s SER 112 Ca 0.02 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 56.55 1ddm s SER 112 Cb 0.08 -0.63 0.31 0.00 0.21 0.00 0.00 66.02 65.99 1ddm s SER 112 CO 0.76 -0.62 1.50 0.54 0.41 0.00 0.00 173.24 175.83 1ddm n ARG 113 N -1.54 4.53 0.00 12.44 1.74 -1.26 -4.83 116.66 127.73 1ddm n ARG 113 Ca 0.03 -4.57 0.00 0.00 -0.77 0.00 0.00 57.85 52.54 1ddm n ARG 113 Cb 0.61 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 1ddm n ARG 113 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ddm n ARG 114 N 1.22 1.91 -3.67 5.56 5.12 -1.26 -4.98 116.66 120.56 1ddm n ARG 114 Ca 0.27 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.83 1ddm n ARG 114 Cb 0.33 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.55 1ddm n ARG 114 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1ddm s ARG 115 N 0.00 2.91 -0.03 5.56 0.52 0.21 -5.00 118.95 123.12 1ddm s ARG 115 Ca 0.00 -2.86 -0.30 0.00 -0.52 0.00 0.00 55.73 52.05 1ddm s ARG 115 Cb 0.00 -3.85 -0.02 0.00 0.52 0.00 0.00 34.95 31.59 1ddm s ARG 115 CO 0.00 -1.22 1.00 -1.25 0.02 0.00 0.00 175.30 173.85 1ddm s PRO 116 N -0.63 4.51 0.34 3.54 0.04 -1.14 -4.07 135.00 137.58 1ddm s PRO 116 Ca 0.22 1.42 0.09 0.00 0.04 0.00 0.00 61.00 62.76 1ddm s PRO 116 Cb -0.14 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 1ddm s PRO 116 CO -0.08 -0.15 0.08 0.08 0.04 0.00 0.00 177.00 176.98 1ddm s VAL 117 N 1.36 2.90 -0.83 -0.36 1.01 -0.79 -4.98 120.40 118.71 1ddm s VAL 117 Ca 0.51 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.69 1ddm s VAL 117 Cb -0.20 -2.90 0.26 0.00 0.00 0.00 0.00 36.38 33.54 1ddm s VAL 117 CO 0.25 -0.20 0.97 -1.14 0.00 0.00 0.00 175.10 174.97 1ddm n ARG 118 N -1.06 3.11 -1.56 2.72 0.00 -1.26 -4.14 116.66 114.48 1ddm n ARG 118 Ca -0.04 -4.60 0.00 0.00 -0.00 0.00 0.00 57.85 53.22 1ddm n ARG 118 Cb 0.62 -2.37 0.00 0.00 0.00 0.00 0.00 32.46 30.71 1ddm n ARG 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ddm n GLY 119 N 1.33 4.59 2.98 5.14 0.00 -1.26 -1.11 105.19 116.86 1ddm n GLY 119 Ca 0.27 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 1ddm n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ddm s LEU 120 N 0.00 2.04 0.43 0.99 0.05 -0.49 -1.47 118.68 120.24 1ddm s LEU 120 Ca 0.00 -0.16 -0.22 0.00 0.05 0.00 0.00 54.13 53.79 1ddm s LEU 120 Cb 0.00 -0.29 -0.09 0.00 -2.05 0.00 0.00 46.19 43.76 1ddm s LEU 120 CO 0.00 0.04 1.02 -0.22 -0.55 0.00 0.00 176.35 176.64 1ddm s LEU 121 N -0.32 4.02 -0.59 1.48 2.96 0.09 -2.10 118.68 124.23 1ddm s LEU 121 Ca 0.01 1.93 0.05 0.00 -0.22 0.00 0.00 54.13 55.90 1ddm s LEU 121 Cb -0.03 -4.36 0.19 0.00 0.50 0.00 0.00 46.19 42.49 1ddm s LEU 121 CO -0.00 -0.54 0.50 1.41 -1.32 0.00 0.00 176.35 176.40 1ddm n HIS 122 N -0.42 1.86 -1.53 5.38 8.25 0.26 -2.40 115.22 126.61 1ddm n HIS 122 Ca 0.07 -3.95 -0.34 0.00 -0.26 0.00 0.00 57.72 53.24 1ddm n HIS 122 Cb 0.51 -0.35 -0.08 0.00 1.12 0.00 0.00 29.99 31.19 1ddm n HIS 122 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ddm n VAL 123 N 1.96 -0.05 -4.25 1.59 0.31 -1.26 -3.43 118.33 113.20 1ddm n VAL 123 Ca 0.24 -0.53 -0.34 0.00 -0.01 0.00 0.00 64.34 63.70 1ddm n VAL 123 Cb 0.41 -1.91 -0.11 0.00 -0.91 0.00 0.00 33.84 31.33 1ddm n VAL 123 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ddm s SER 124 N 10.50 5.19 0.34 4.52 0.15 -1.25 -1.56 113.70 131.59 1ddm s SER 124 Ca 1.10 0.00 0.18 0.00 0.70 0.00 0.00 55.95 57.94 1ddm s SER 124 Cb -0.51 -1.80 1.00 0.00 -1.71 0.00 0.00 66.02 63.00 1ddm s SER 124 CO 0.32 0.21 1.51 1.23 1.20 0.00 0.00 173.24 177.72 1ddm h GLY 125 N 6.41 0.00 -3.11 9.45 0.00 -1.71 0.56 103.07 114.67 1ddm h GLY 125 Ca -0.37 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.54 1ddm h GLY 125 CO 0.64 0.00 -0.13 1.34 0.00 0.00 0.00 176.54 178.39 1ddm n ASP 126 N -2.20 4.48 0.00 0.19 -0.08 -1.26 -4.57 116.55 113.11 1ddm n ASP 126 Ca -0.01 -3.78 0.00 0.00 -1.51 0.00 0.00 54.79 49.49 1ddm n ASP 126 Cb 0.18 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.03 1ddm n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ddm n GLY 127 N -0.94 3.02 3.75 0.27 0.00 0.19 -4.86 105.19 106.62 1ddm n GLY 127 Ca 0.44 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1ddm n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddm s LEU 128 N 0.00 4.62 0.00 0.99 1.43 -1.23 -3.75 118.68 120.75 1ddm s LEU 128 Ca 0.00 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.05 1ddm s LEU 128 Cb 0.00 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1ddm s LEU 128 CO 0.00 0.11 -0.03 0.00 0.23 0.00 0.00 176.35 176.66 1ddm s ARG 129 N -1.01 0.23 -0.30 1.70 1.70 -1.22 -3.80 118.95 116.26 1ddm s ARG 129 Ca 0.42 -0.20 -0.06 0.00 -0.47 0.00 0.00 55.73 55.42 1ddm s ARG 129 Cb -0.26 -0.16 0.01 0.00 -0.57 0.00 0.00 34.95 33.98 1ddm s ARG 129 CO 0.32 0.04 0.07 0.08 -1.08 0.00 0.00 175.30 174.73 1ddm s VAL 130 N -0.32 3.83 -0.25 4.99 1.01 -1.19 -0.58 120.40 127.89 1ddm s VAL 130 Ca -0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1ddm s VAL 130 Cb -0.03 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1ddm s VAL 130 CO -0.00 0.06 0.09 -0.69 0.00 0.00 0.00 175.10 174.56 1ddm s VAL 131 N 1.47 4.56 1.07 2.92 1.01 -0.89 -2.06 120.40 128.48 1ddm s VAL 131 Ca 0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1ddm s VAL 131 Cb -0.17 -3.13 0.23 0.00 0.00 0.00 0.00 36.38 33.31 1ddm s VAL 131 CO 0.02 0.34 1.07 -0.62 0.00 0.00 0.00 175.10 175.91 1ddm s ASP 132 N 1.48 1.69 0.00 3.32 2.15 -1.26 -1.39 116.67 122.66 1ddm s ASP 132 Ca 0.06 1.77 0.16 0.00 0.43 0.00 0.00 52.55 54.96 1ddm s ASP 132 Cb -0.15 -2.41 0.19 0.00 -0.30 0.00 0.00 42.92 40.26 1ddm s ASP 132 CO 0.05 -3.80 1.08 -0.67 -0.17 0.00 0.00 175.17 171.66 1ddm n ASP 133 N -4.67 2.53 0.00 -0.34 2.03 -0.27 -3.37 116.55 112.47 1ddm n ASP 133 Ca 0.06 -1.73 0.00 0.00 0.52 0.00 0.00 54.79 53.64 1ddm n ASP 133 Cb 0.53 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1ddm n ASP 133 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ddm n GLU 134 N 0.90 0.00 0.03 -0.67 4.71 -1.26 -4.77 120.64 119.58 1ddm n GLU 134 Ca 0.11 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.28 1ddm n GLU 134 Cb 0.42 -0.72 -0.08 0.00 -1.01 0.00 0.00 31.44 30.05 1ddm n GLU 134 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1ddm n THR 135 N -2.75 1.00 -4.03 2.62 -1.04 -1.26 -4.97 114.28 103.85 1ddm n THR 135 Ca 0.00 -0.66 -0.32 0.00 -2.04 0.00 0.00 64.05 61.03 1ddm n THR 135 Cb 0.49 -0.59 0.01 0.00 -1.82 0.00 0.00 70.33 68.41 1ddm n THR 135 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1ddm n LYS 136 N -2.79 -4.61 0.00 -2.82 4.76 -1.22 -4.93 118.16 106.56 1ddm n LYS 136 Ca -0.09 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 1ddm n LYS 136 Cb 0.79 -5.32 0.00 0.00 -1.84 0.00 0.00 35.03 28.66 1ddm n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ddm n GLY 137 N -1.59 0.40 3.44 0.72 0.00 -1.26 -4.85 105.19 102.05 1ddm n GLY 137 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1ddm n GLY 137 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddm s LEU 138 N 0.00 -0.65 -0.21 0.99 2.96 -1.26 -4.61 118.68 115.89 1ddm s LEU 138 Ca 0.00 0.90 -0.14 0.00 -0.22 0.00 0.00 54.13 54.67 1ddm s LEU 138 Cb 0.00 1.75 -0.08 0.00 0.50 0.00 0.00 46.19 48.36 1ddm s LEU 138 CO 0.00 -0.13 -0.32 -0.38 -1.32 0.00 0.00 176.35 174.20 1ddm n ILE 139 N 5.01 1.43 -3.44 6.68 5.41 -0.87 -4.88 119.36 128.69 1ddm n ILE 139 Ca -0.10 -0.12 -0.43 0.00 1.00 0.00 0.00 62.75 63.10 1ddm n ILE 139 Cb 0.52 -2.04 -0.07 0.00 -0.71 0.00 0.00 39.64 37.34 1ddm n ILE 139 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1ddm s VAL 140 N -2.62 4.76 -0.36 1.39 1.01 -1.26 -4.90 120.40 118.42 1ddm s VAL 140 Ca -0.31 -1.49 0.11 0.00 0.00 0.00 0.00 61.98 60.29 1ddm s VAL 140 Cb 0.09 -4.01 0.69 0.00 0.00 0.00 0.00 36.38 33.15 1ddm s VAL 140 CO 0.42 -0.73 1.60 -0.67 0.00 0.00 0.00 175.10 175.72 1ddm n ASP 141 N 5.09 4.88 -3.25 3.32 2.03 -1.26 -3.19 116.55 124.16 1ddm n ASP 141 Ca -0.11 -2.88 -0.22 0.00 0.52 0.00 0.00 54.79 52.10 1ddm n ASP 141 Cb 0.41 -0.68 0.19 0.00 -0.72 0.00 0.00 41.12 40.32 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ddm n GLN 142 N 0.33 -2.77 -4.04 -0.67 1.13 -1.25 -4.97 117.38 105.14 1ddm n GLN 142 Ca 0.28 -1.24 -0.08 0.00 -1.94 0.00 0.00 57.00 54.01 1ddm n GLN 142 Cb 1.13 -1.22 -0.10 0.00 0.11 0.00 0.00 30.24 30.16 1ddm n GLN 142 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1ddm s THR 143 N -2.36 0.19 0.16 5.09 2.01 -1.26 -3.51 115.64 115.96 1ddm s THR 143 Ca 0.51 -1.53 -0.16 0.00 0.31 0.00 0.00 61.69 60.82 1ddm s THR 143 Cb -0.06 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.27 1ddm s THR 143 CO 0.40 -0.84 1.81 0.40 -0.69 0.00 0.00 174.62 175.70 1ddm h ILE 144 N 3.47 1.10 0.00 1.82 2.04 -1.88 0.43 117.51 124.49 1ddm h ILE 144 Ca -0.33 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1ddm h ILE 144 Cb 1.16 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1ddm h ILE 144 CO 0.59 0.10 0.00 -1.84 0.00 0.00 0.00 178.15 177.00 1ddm n GLU 145 N -4.81 0.72 -0.12 2.37 0.28 -1.26 -3.15 120.64 114.67 1ddm n GLU 145 Ca 0.01 0.01 -0.17 0.00 -0.16 0.00 0.00 57.16 56.85 1ddm n GLU 145 Cb 0.03 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.27 1ddm n GLU 145 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ddm n LYS 146 N -1.07 0.66 -2.47 3.44 4.81 -0.35 -4.93 118.16 118.24 1ddm n LYS 146 Ca 0.18 0.13 -0.42 0.00 -0.87 0.00 0.00 58.31 57.33 1ddm n LYS 146 Cb 0.12 -1.53 -0.03 0.00 0.02 0.00 0.00 35.03 33.61 1ddm n LYS 146 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1ddm s VAL 147 N -2.52 4.14 0.02 3.15 -7.23 -0.00 -4.88 120.40 113.09 1ddm s VAL 147 Ca -0.30 1.55 -0.25 0.00 -1.81 0.00 0.00 61.98 61.18 1ddm s VAL 147 Cb 0.08 -4.00 -0.18 0.00 0.56 0.00 0.00 36.38 32.85 1ddm s VAL 147 CO 0.65 0.13 1.46 -1.28 -0.31 0.00 0.00 175.10 175.75 1ddm h SER 148 N 6.67 -0.01 -3.21 4.85 0.87 -1.47 -3.47 113.55 117.78 1ddm h SER 148 Ca -0.42 -0.28 -0.18 0.00 -1.23 0.00 0.00 61.79 59.69 1ddm h SER 148 Cb 1.21 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.14 1ddm h SER 148 CO 0.80 0.28 -0.15 0.49 -0.53 0.00 0.00 176.83 177.71 1ddm n PHE 149 N -4.96 0.01 -2.30 2.24 3.01 -1.26 -4.97 117.46 109.24 1ddm n PHE 149 Ca -0.08 -0.84 -0.04 0.00 1.01 0.00 0.00 57.45 57.50 1ddm n PHE 149 Cb 0.16 0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.66 1ddm n PHE 149 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ddm s ALA 151 N 0.06 2.63 0.12 0.00 0.00 -1.15 -4.57 121.76 118.84 1ddm s ALA 151 Ca 0.04 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1ddm s ALA 151 Cb 0.20 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1ddm s ALA 151 CO -0.06 -1.20 0.00 -0.35 0.00 0.00 0.00 175.76 174.15 1ddm n PRO 152 N -1.38 3.54 -3.44 0.00 -0.04 -1.26 -1.24 135.00 131.17 1ddm n PRO 152 Ca 0.13 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.32 1ddm n PRO 152 Cb 0.48 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.85 1ddm n PRO 152 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ddm n ASP 153 N 0.00 0.41 -0.12 3.54 2.03 0.96 -3.72 116.55 119.66 1ddm n ASP 153 Ca 0.00 -2.62 -0.02 0.00 0.52 0.00 0.00 54.79 52.68 1ddm n ASP 153 Cb 0.00 -0.61 -0.01 0.00 -0.72 0.00 0.00 41.12 39.79 1ddm n ASP 153 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ddm n ARG 154 N 2.33 -1.72 -3.51 -0.67 1.74 -1.26 -2.77 116.66 110.80 1ddm n ARG 154 Ca 0.27 0.50 -0.26 0.00 -0.77 0.00 0.00 57.85 57.59 1ddm n ARG 154 Cb 0.46 -4.81 0.00 0.00 -1.02 0.00 0.00 32.46 27.09 1ddm n ARG 154 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ddm n ASN 155 N -0.89 -4.01 0.00 0.55 4.05 -1.26 -4.71 115.26 109.00 1ddm n ASN 155 Ca -0.02 -0.51 0.00 0.00 0.45 0.00 0.00 54.58 54.51 1ddm n ASN 155 Cb 0.45 -3.28 0.00 0.00 1.23 0.00 0.00 39.78 38.18 1ddm n ASN 155 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 1ddm n HIS 156 N -4.13 0.00 0.34 1.20 -0.00 -1.11 -4.86 115.22 106.65 1ddm n HIS 156 Ca -0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.22 1ddm n HIS 156 Cb 0.54 0.03 0.05 0.00 -0.12 0.00 0.00 29.99 30.48 1ddm n HIS 156 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1ddm n GLU 157 N 0.00 0.51 -3.85 1.57 1.02 -1.12 -5.00 120.64 113.78 1ddm n GLU 157 Ca 0.00 -1.13 -0.27 0.00 -0.02 0.00 0.00 57.16 55.74 1ddm n GLU 157 Cb 0.24 -1.18 0.03 0.00 -0.02 0.00 0.00 31.44 30.51 1ddm n GLU 157 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ddm n ARG 158 N 0.50 -5.18 -3.75 3.49 3.00 -1.26 -4.88 116.66 108.57 1ddm n ARG 158 Ca 0.06 0.59 -0.15 0.00 -0.01 0.00 0.00 57.85 58.34 1ddm n ARG 158 Cb 0.25 -5.33 -0.16 0.00 0.00 0.00 0.00 32.46 27.22 1ddm n ARG 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ddm s GLY 159 N -3.72 0.09 0.37 -0.13 0.00 -1.26 -0.77 107.32 101.90 1ddm s GLY 159 Ca 0.41 0.37 0.07 0.00 0.00 0.00 0.00 44.72 45.57 1ddm s GLY 159 CO 0.83 0.85 -0.01 -1.36 0.00 0.00 0.00 173.10 173.41 1ddm s PHE 160 N 1.24 2.38 0.30 1.90 0.08 -0.54 -0.03 117.98 123.31 1ddm s PHE 160 Ca -0.07 -0.67 -0.17 0.00 0.12 0.00 0.00 56.93 56.13 1ddm s PHE 160 Cb -0.13 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.77 1ddm s PHE 160 CO -0.04 0.41 0.68 -1.12 -0.10 0.00 0.00 175.22 175.05 1ddm s SER 161 N -3.64 -0.12 -0.03 1.36 0.01 -0.37 -1.97 113.70 108.94 1ddm s SER 161 Ca 0.34 -0.83 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 1ddm s SER 161 Cb 0.08 0.73 0.01 0.00 0.21 0.00 0.00 66.02 67.04 1ddm s SER 161 CO 0.17 -1.38 0.18 -0.72 0.41 0.00 0.00 173.24 171.90 1ddm s TYR 162 N -3.55 -0.10 0.41 2.43 -0.85 -0.88 -2.95 117.35 111.86 1ddm s TYR 162 Ca 0.15 0.21 0.07 0.00 -0.52 0.00 0.00 57.07 56.98 1ddm s TYR 162 Cb -0.05 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.27 1ddm s TYR 162 CO 0.09 -0.21 0.24 0.42 -1.52 0.00 0.00 175.55 174.57 1ddm s ILE 163 N -0.67 2.48 -0.29 -3.49 1.01 -1.26 -1.18 121.20 117.80 1ddm s ILE 163 Ca -0.08 -1.59 -0.22 0.00 0.00 0.00 0.00 60.65 58.76 1ddm s ILE 163 Cb -0.04 -3.00 0.14 0.00 0.01 0.00 0.00 42.46 39.57 1ddm s ILE 163 CO 0.01 -0.02 1.07 0.00 0.00 0.00 0.00 174.94 176.00 1ddm s ARG 165 N 0.57 3.33 1.53 0.00 3.00 -1.26 -1.79 118.95 124.33 1ddm s ARG 165 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 55.73 55.00 1ddm s ARG 165 Cb -0.04 -3.61 0.00 0.00 0.00 0.00 0.00 34.95 31.30 1ddm s ARG 165 CO -0.10 -0.43 0.00 -0.25 0.00 0.00 0.00 175.30 174.51 1ddm n ASP 166 N 5.00 -1.47 0.00 0.23 8.00 -0.40 -4.83 116.55 123.08 1ddm n ASP 166 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1ddm n ASP 166 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddm n GLY 167 N 0.00 2.76 0.00 0.44 0.00 -1.26 -4.12 105.19 103.00 1ddm n GLY 167 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ddm n GLY 167 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ddm n THR 168 N -2.00 0.00 0.00 2.61 5.66 -1.26 -4.94 114.28 114.35 1ddm n THR 168 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ddm n THR 168 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ddm n THR 168 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ddm n THR 169 N 0.00 0.00 -1.86 1.09 -1.04 -1.26 -5.01 114.28 106.20 1ddm n THR 169 Ca 0.00 -0.13 -0.20 0.00 -2.04 0.00 0.00 64.05 61.69 1ddm n THR 169 Cb 0.07 0.78 -0.06 0.00 -1.82 0.00 0.00 70.33 69.30 1ddm n THR 169 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ddm n ARG 170 N -0.39 -1.54 -3.70 -2.82 5.12 -1.26 -4.84 116.66 107.24 1ddm n ARG 170 Ca 0.00 1.11 0.01 0.00 -1.93 0.00 0.00 57.85 57.03 1ddm n ARG 170 Cb 0.00 -5.57 -0.00 0.00 -1.16 0.00 0.00 32.46 25.72 1ddm n ARG 170 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1ddm s ARG 171 N -4.15 0.54 -0.16 5.56 1.70 -1.26 -4.75 118.95 116.43 1ddm s ARG 171 Ca 0.00 -0.31 -0.29 0.00 -0.47 0.00 0.00 55.73 54.66 1ddm s ARG 171 Cb 0.00 0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.54 1ddm s ARG 171 CO 0.00 -0.25 1.28 -1.58 -1.08 0.00 0.00 175.30 173.67 1ddm s TRP 172 N -2.46 2.81 -0.01 5.89 0.51 -1.26 -1.27 118.94 123.16 1ddm s TRP 172 Ca 0.16 0.98 -0.04 0.00 -2.12 0.00 0.00 56.10 55.09 1ddm s TRP 172 Cb 0.03 -3.52 -0.00 0.00 -0.81 0.00 0.00 33.47 29.17 1ddm s TRP 172 CO -0.02 -1.78 0.07 -1.64 -0.51 0.00 0.00 176.95 173.07 1ddm s MET 173 N 3.52 0.29 -0.08 4.98 -1.94 -0.74 -1.75 119.30 123.59 1ddm s MET 173 Ca 0.55 -0.27 0.00 0.00 -1.71 0.00 0.00 55.69 54.27 1ddm s MET 173 Cb -0.22 0.12 0.02 0.00 2.01 0.00 0.00 34.83 36.76 1ddm s MET 173 CO 0.15 -0.06 -0.07 0.00 -0.01 0.00 0.00 175.02 175.04 1ddm s HIS 175 N 1.31 3.68 0.17 0.00 3.76 -0.33 -2.13 115.29 121.76 1ddm s HIS 175 Ca -0.04 1.06 0.09 0.00 -0.15 0.00 0.00 55.06 56.02 1ddm s HIS 175 Cb -0.14 -2.45 -0.04 0.00 1.11 0.00 0.00 32.58 31.06 1ddm s HIS 175 CO -0.03 0.46 -0.10 0.20 -0.85 0.00 0.00 174.74 174.43 1ddm s GLY 176 N -0.50 1.73 -0.20 -2.22 0.00 -0.96 -2.06 107.32 103.10 1ddm s GLY 176 Ca 0.26 -1.46 -0.27 0.00 0.00 0.00 0.00 44.72 43.26 1ddm s GLY 176 CO 0.14 -1.47 0.78 -0.11 0.00 0.00 0.00 173.10 172.44 1ddm s PHE 177 N -1.66 -0.68 -0.07 1.90 -0.71 -0.83 -2.32 117.98 113.60 1ddm s PHE 177 Ca 0.24 1.50 0.02 0.00 -1.04 0.00 0.00 56.93 57.65 1ddm s PHE 177 Cb -0.09 0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 42.03 1ddm s PHE 177 CO 0.15 -0.42 -0.12 -0.51 -1.34 0.00 0.00 175.22 172.99 1ddm s LEU 178 N -0.18 2.88 -0.27 -1.99 1.43 -1.18 -1.47 118.68 117.90 1ddm s LEU 178 Ca -0.03 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 1ddm s LEU 178 Cb -0.03 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1ddm s LEU 178 CO 0.02 0.32 1.54 0.00 0.23 0.00 0.00 176.35 178.46 1ddm s ALA 179 N -0.55 3.22 0.37 4.21 0.00 0.05 -0.42 121.76 128.65 1ddm s ALA 179 Ca 0.08 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.42 1ddm s ALA 179 Cb -0.12 -3.86 0.73 0.00 0.00 0.00 0.00 23.12 19.88 1ddm s ALA 179 CO 0.02 -2.03 1.90 0.00 0.00 0.00 0.00 175.76 175.64 1ddm h LYS 181 N 0.27 0.00 -5.38 0.00 1.79 -1.90 -3.48 116.57 107.87 1ddm h LYS 181 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1ddm h LYS 181 Cb 0.39 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1ddm h LYS 181 CO 0.02 0.19 -1.02 -0.25 -1.08 0.00 0.00 179.45 177.32 1ddm n ASP 182 N -3.88 -7.38 0.00 0.86 8.00 -0.83 -4.97 116.55 108.35 1ddm n ASP 182 Ca -0.02 1.24 0.00 0.00 0.71 0.00 0.00 54.79 56.72 1ddm n ASP 182 Cb 0.29 -4.60 0.00 0.00 -0.02 0.00 0.00 41.12 36.79 1ddm n ASP 182 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ddm n SER 183 N 0.89 0.00 -0.47 -2.24 2.88 -1.26 -5.03 113.62 108.39 1ddm n SER 183 Ca -0.02 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.48 1ddm n SER 183 Cb 0.13 0.10 -0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1ddm n SER 183 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddm n GLY 184 N -1.16 0.24 0.43 0.46 0.00 -1.26 -4.89 105.19 99.01 1ddm n GLY 184 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1ddm n GLY 184 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ddm n GLU 185 N -1.36 0.00 0.00 1.61 2.13 -1.26 -3.87 120.64 117.89 1ddm n GLU 185 Ca -0.04 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.89 1ddm n GLU 185 Cb 0.53 -0.47 0.57 0.00 0.27 0.00 0.00 31.44 32.34 1ddm n GLU 185 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1ddm n ARG 186 N -1.90 0.31 0.00 5.31 0.00 -1.26 -2.98 116.66 116.14 1ddm n ARG 186 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1ddm n ARG 186 Cb 0.09 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.05 1ddm n ARG 186 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ddm n LEU 187 N -1.30 0.12 0.28 2.89 4.32 -1.26 -3.98 117.00 118.07 1ddm n LEU 187 Ca 0.11 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.98 1ddm n LEU 187 Cb 0.19 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.93 1ddm n LEU 187 CO 0.18 -0.23 0.32 -1.28 -1.22 0.00 0.00 177.39 175.16 1ddm h SER 188 N 0.00 -0.63 0.16 -1.43 0.87 -1.75 -1.16 113.55 109.60 1ddm h SER 188 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ddm h SER 188 Cb 0.44 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1ddm h SER 188 CO 0.00 -0.27 0.00 1.57 -0.53 0.00 0.00 176.83 177.60 1ddm n HIS 189 N -5.01 0.49 -0.02 2.24 -0.00 -1.16 -1.91 115.22 109.85 1ddm n HIS 189 Ca -0.09 0.24 -0.21 0.00 -0.00 0.00 0.00 57.72 57.65 1ddm n HIS 189 Cb 0.30 -0.88 -0.13 0.00 -0.00 0.00 0.00 29.99 29.27 1ddm n HIS 189 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddm h ALA 190 N 2.08 0.27 0.00 1.57 0.00 -1.51 -3.35 119.26 118.32 1ddm h ALA 190 Ca 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 54.91 53.66 1ddm h ALA 190 Cb 0.08 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ddm h ALA 190 CO 0.00 0.92 -0.22 -0.24 0.00 0.00 0.00 179.25 179.72 1ddm h VAL 191 N -0.39 0.60 0.00 0.00 3.04 -0.69 -2.50 116.25 116.30 1ddm h VAL 191 Ca -0.35 -1.03 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1ddm h VAL 191 Cb 1.71 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.67 1ddm h VAL 191 CO -0.01 0.21 0.00 0.61 -1.01 0.00 0.00 177.57 177.38 1ddm n GLY 192 N -0.04 -1.25 0.82 3.17 0.00 -0.80 -2.46 105.19 104.62 1ddm n GLY 192 Ca -0.00 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1ddm n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddm h ALA 194 N 2.11 0.30 -0.31 0.00 0.00 -1.52 -3.37 119.26 116.47 1ddm h ALA 194 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 54.91 53.65 1ddm h ALA 194 Cb 1.08 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1ddm h ALA 194 CO 0.11 1.01 0.13 0.27 0.00 0.00 0.00 179.25 180.77 1ddm h PHE 195 N -0.28 0.42 -0.10 0.00 -0.00 -1.80 -0.13 116.94 115.05 1ddm h PHE 195 Ca -0.37 -0.01 0.03 0.00 -0.00 0.00 0.00 57.97 57.63 1ddm h PHE 195 Cb 1.79 -0.14 -0.00 0.00 -0.00 0.00 0.00 35.95 37.60 1ddm h PHE 195 CO 0.10 0.33 0.09 0.00 -0.00 0.00 0.00 178.31 178.83 1ddm h ALA 196 N 1.72 1.86 -0.01 12.09 0.00 -1.83 -0.17 119.26 132.91 1ddm h ALA 196 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ddm h ALA 196 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ddm h ALA 196 CO -0.01 -0.14 -0.39 0.28 0.00 0.00 0.00 179.25 178.99 1ddm n VAL 197 N -4.12 0.00 1.25 0.00 0.31 -0.48 -4.27 118.33 111.02 1ddm n VAL 197 Ca -0.01 -0.31 0.13 0.00 -0.01 0.00 0.00 64.34 64.15 1ddm n VAL 197 Cb 0.20 1.16 0.42 0.00 -0.91 0.00 0.00 33.84 34.70 1ddm n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddm n LEU 199 N -0.79 0.41 0.09 0.00 4.77 -0.99 -3.45 117.00 117.04 1ddm n LEU 199 Ca 0.12 0.54 0.04 0.00 -0.03 0.00 0.00 56.01 56.68 1ddm n LEU 199 Cb 0.33 -0.41 0.44 0.00 -2.33 0.00 0.00 43.42 41.45 1ddm n LEU 199 CO 0.26 -0.10 1.04 -0.33 -1.33 0.00 0.00 177.39 176.93 1ddm h GLU 200 N 0.00 0.34 -0.02 3.23 5.08 -1.86 -3.53 114.58 117.82 1ddm h GLU 200 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ddm h GLU 200 Cb 0.61 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ddm h GLU 200 CO 0.00 0.31 0.00 0.54 -1.00 0.00 0.00 179.01 178.86