#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 0.20 0.00 1.57 4.20 -2.05 -3.34 115.11 115.69 1ddm h GLN 68 Ca 0.00 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 1ddm h GLN 68 Cb 0.00 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1ddm h GLN 68 CO 0.00 1.01 -0.23 -1.49 -0.67 0.00 0.00 178.83 177.46 1ddm h TRP 69 N 0.05 0.00 0.00 2.96 4.06 -2.03 0.63 115.95 121.63 1ddm h TRP 69 Ca -0.35 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.60 1ddm h TRP 69 Cb 2.03 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 30.19 1ddm h TRP 69 CO 0.06 0.23 -0.04 1.96 -3.56 0.00 0.00 178.44 177.09 1ddm h GLN 70 N 0.00 0.00 0.00 0.49 4.20 -2.02 -1.24 115.11 116.53 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 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1ddm h GLN 70 CO 0.03 0.04 -1.47 0.00 -0.67 0.00 0.00 178.83 176.75 1ddm n ALA 71 N -2.18 2.73 0.02 3.87 0.00 -0.60 -4.46 120.51 119.89 1ddm n ALA 71 Ca -0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 1ddm n ALA 71 Cb 0.16 -0.48 0.03 0.00 0.00 0.00 0.00 19.45 19.15 1ddm n ALA 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ddm h ASP 72 N 0.00 0.59 0.24 0.00 5.19 -0.07 -2.05 116.42 120.32 1ddm h ASP 72 Ca 0.00 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.05 1ddm h ASP 72 Cb 0.59 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.92 1ddm h ASP 72 CO 0.00 1.09 -0.04 -0.33 -3.12 0.00 0.00 179.24 176.84 1ddm h GLU 73 N 0.37 0.00 0.00 3.56 5.08 -1.48 -0.44 114.58 121.67 1ddm h GLU 73 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ddm h GLU 73 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ddm h GLU 73 CO 0.12 0.04 -1.15 0.39 -1.00 0.00 0.00 179.01 177.41 1ddm n GLU 74 N -3.44 0.28 0.04 2.33 1.02 -1.07 -4.21 120.64 115.59 1ddm n GLU 74 Ca -0.02 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 1ddm n GLU 74 Cb 0.15 -1.56 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 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 2.57 -0.05 -0.76 0.62 0.00 -0.35 -0.44 119.26 120.85 1ddm h ALA 75 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1ddm h ALA 75 Cb 0.72 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1ddm h ALA 75 CO 0.00 -0.55 0.26 0.28 0.00 0.00 0.00 179.25 179.24 1ddm h VAL 76 N -0.10 1.26 -0.63 0.00 2.07 -1.74 -2.09 116.25 115.03 1ddm h VAL 76 Ca 0.03 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.71 1ddm h VAL 76 Cb 0.13 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1ddm h VAL 76 CO -0.07 0.35 0.41 0.03 0.02 0.00 0.00 177.57 178.32 1ddm h ARG 77 N 1.12 0.65 0.00 1.57 3.08 -1.62 -2.72 114.38 116.47 1ddm h ARG 77 Ca 0.25 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1ddm h ARG 77 Cb 0.28 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1ddm h ARG 77 CO -0.01 0.43 0.00 0.43 -1.07 0.00 0.00 179.97 179.75 1ddm n SER 78 N -4.47 0.00 0.00 7.04 7.64 -0.21 -4.90 113.62 118.72 1ddm n SER 78 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1ddm n SER 78 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1ddm n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddm n ALA 79 N -3.00 0.00 -3.14 -0.43 0.00 -0.84 -4.73 120.51 108.37 1ddm n ALA 79 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ddm n ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.49 0.00 0.00 -1.32 -0.95 -4.52 115.64 108.36 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 0.00 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 1ddm s THR 80 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 1ddm n SER 82 N 0.00 -1.16 -0.76 0.00 2.88 -1.26 -2.66 113.62 110.66 1ddm n SER 82 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddm n SER 82 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 -0.60 -1.49 0.66 3.72 -1.01 -4.89 117.46 113.85 1ddm n PHE 83 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1ddm n PHE 83 Cb 0.00 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.59 1ddm n PHE 83 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ddm n SER 84 N -0.60 -0.46 -2.88 4.37 7.64 -1.26 -1.56 113.62 118.87 1ddm n SER 84 Ca 0.00 0.74 -0.14 0.00 1.01 0.00 0.00 58.87 60.48 1ddm n SER 84 Cb 0.00 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 61.92 1ddm n SER 84 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ddm n VAL 85 N -1.82 0.00 -3.67 0.44 0.24 -0.16 -2.81 118.33 110.56 1ddm n VAL 85 Ca 0.12 -1.72 -0.29 0.00 -2.04 0.00 0.00 64.34 60.42 1ddm n VAL 85 Cb 0.48 1.03 -0.12 0.00 -1.47 0.00 0.00 33.84 33.76 1ddm n VAL 85 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ddm s LYS 86 N -2.79 1.39 -0.67 7.34 -0.14 -0.39 -3.41 119.74 121.07 1ddm s LYS 86 Ca 0.28 -2.24 -0.26 0.00 -1.36 0.00 0.00 55.97 52.39 1ddm s LYS 86 Cb -0.01 -2.29 -0.12 0.00 -1.68 0.00 0.00 37.83 33.74 1ddm s LYS 86 CO 0.20 -1.24 2.42 0.98 -0.76 0.00 0.00 175.35 176.96 1ddm n TYR 87 N 3.13 1.22 0.31 3.18 9.36 -0.84 -3.31 117.16 130.21 1ddm n TYR 87 Ca 0.15 0.06 0.16 0.00 3.32 0.00 0.00 57.90 61.59 1ddm n TYR 87 Cb 0.38 -2.55 0.69 0.00 -0.63 0.00 0.00 39.34 37.23 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 20.54 0.00 0.00 2.98 3.38 -1.71 -2.90 115.31 137.59 1ddm h LEU 88 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ddm h LEU 88 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1ddm h LEU 88 CO 1.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.25 1ddm n GLY 89 N -0.34 0.18 3.49 0.83 0.00 -1.21 -1.84 105.19 106.31 1ddm n GLY 89 Ca 0.00 -1.55 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 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 1.08 -0.01 0.00 -7.23 -0.99 -4.98 120.40 108.34 1ddm s VAL 91 Ca -0.02 -2.04 -0.27 0.00 -1.81 0.00 0.00 61.98 57.84 1ddm s VAL 91 Cb -0.04 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1ddm s VAL 91 CO 0.02 -0.62 0.83 -0.70 -0.31 0.00 0.00 175.10 174.33 1ddm s GLU 92 N -3.79 4.51 -0.04 4.82 2.12 -1.26 -1.15 118.70 123.91 1ddm s GLU 92 Ca 0.20 1.16 -0.01 0.00 0.36 0.00 0.00 54.97 56.67 1ddm s GLU 92 Cb 0.04 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 31.03 1ddm s GLU 92 CO 0.03 0.08 0.08 0.14 -0.54 0.00 0.00 175.26 175.05 1ddm s VAL 93 N 0.64 -0.04 -1.03 3.70 -7.23 -1.11 -4.90 120.40 110.43 1ddm s VAL 93 Ca 0.44 0.16 -0.04 0.00 -1.81 0.00 0.00 61.98 60.73 1ddm s VAL 93 Cb -0.20 -0.14 0.29 0.00 0.56 0.00 0.00 36.38 36.89 1ddm s VAL 93 CO 0.24 0.07 1.26 0.33 -0.31 0.00 0.00 175.10 176.68 1ddm n PHE 94 N 3.99 3.30 0.00 2.82 7.35 -1.26 -4.49 117.46 129.17 1ddm n PHE 94 Ca -0.24 -3.20 0.00 0.00 -0.76 0.00 0.00 57.45 53.24 1ddm n PHE 94 Cb 0.52 -1.28 0.00 0.00 0.35 0.00 0.00 39.48 39.07 1ddm n PHE 94 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1ddm n GLU 95 N 1.68 0.00 -3.12 -4.13 1.02 -1.26 -5.02 120.64 109.82 1ddm n GLU 95 Ca 0.26 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.23 1ddm n GLU 95 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.76 1ddm n GLU 95 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ddm n SER 96 N -2.11 -2.53 0.00 1.62 3.41 -1.26 -4.72 113.62 108.03 1ddm n SER 96 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1ddm n SER 96 Cb 0.00 -2.18 0.00 0.00 -0.26 0.00 0.00 64.21 61.77 1ddm n SER 96 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1ddm n ARG 97 N -3.22 0.00 -4.12 4.33 1.85 -1.26 -4.95 116.66 109.29 1ddm n ARG 97 Ca -0.01 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.61 1ddm n ARG 97 Cb 0.52 -0.92 -0.05 0.00 -1.05 0.00 0.00 32.46 30.96 1ddm n ARG 97 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1ddm s GLY 98 N -3.97 1.53 0.39 2.89 0.00 -1.26 -5.01 107.32 101.88 1ddm s GLY 98 Ca 0.00 -1.37 0.27 0.00 0.00 0.00 0.00 44.72 43.61 1ddm s GLY 98 CO 0.00 -1.41 1.76 0.00 0.00 0.00 0.00 173.10 173.46 1ddm h MET 99 N 1.84 0.00 0.00 2.90 -0.00 -1.98 -3.05 114.93 114.64 1ddm h MET 99 Ca -0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.16 1ddm h MET 99 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.82 1ddm h MET 99 CO 0.61 0.00 -0.29 1.96 -0.00 0.00 0.00 176.91 179.19 1ddm h GLN 100 N 0.00 0.00 -0.02 -0.10 4.20 -1.95 -3.03 115.11 114.20 1ddm h GLN 100 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ddm h GLN 100 Cb 0.71 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 1ddm h GLN 100 CO 0.00 0.29 0.02 0.28 -0.67 0.00 0.00 178.83 178.75 1ddm h VAL 101 N 0.00 1.00 0.00 -0.54 2.07 -1.96 -0.96 116.25 115.87 1ddm h VAL 101 Ca -0.00 -0.01 -0.17 0.00 0.82 0.00 0.00 66.70 67.34 1ddm h VAL 101 Cb 0.84 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1ddm h VAL 101 CO 0.04 0.00 -0.81 0.00 0.02 0.00 0.00 177.57 176.82 1ddm n GLU 103 N -3.32 0.17 -0.08 0.00 0.00 -0.37 -1.89 120.64 115.15 1ddm n GLU 103 Ca 0.01 0.51 -0.13 0.00 0.00 0.00 0.00 57.16 57.55 1ddm n GLU 103 Cb 0.86 -1.90 -0.06 0.00 0.00 0.00 0.00 31.44 30.33 1ddm n GLU 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ddm n GLU 104 N -2.23 0.35 0.11 5.31 1.02 -1.18 -4.47 120.64 119.54 1ddm n GLU 104 Ca 0.01 0.11 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1ddm n GLU 104 Cb 0.15 -1.19 0.55 0.00 -0.02 0.00 0.00 31.44 30.92 1ddm n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddm h ALA 105 N -0.24 1.93 -0.60 0.62 0.00 -1.37 -1.46 119.26 118.13 1ddm h ALA 105 Ca -0.36 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1ddm h ALA 105 Cb 1.44 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1ddm h ALA 105 CO -0.13 0.04 0.10 1.25 0.00 0.00 0.00 179.25 180.50 1ddm h LEU 106 N 0.25 0.93 -0.48 0.00 5.85 -1.62 -1.89 115.31 118.34 1ddm h LEU 106 Ca 0.10 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.50 1ddm h LEU 106 Cb 0.11 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1ddm h LEU 106 CO -0.02 0.93 -0.14 0.50 -0.34 0.00 0.00 178.44 179.38 1ddm h LYS 107 N 0.92 0.94 -0.44 1.25 1.63 -1.50 -2.73 116.57 116.65 1ddm h LYS 107 Ca 0.19 -0.37 -0.03 0.00 -0.85 0.00 0.00 60.65 59.59 1ddm h LYS 107 Cb 0.40 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 1ddm h LYS 107 CO 0.01 1.03 0.18 0.28 -3.45 0.00 0.00 179.45 177.50 1ddm h VAL 108 N 0.79 1.20 -0.46 2.00 2.07 -1.25 -1.84 116.25 118.77 1ddm h VAL 108 Ca 0.12 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1ddm h VAL 108 Cb 0.70 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1ddm h VAL 108 CO 0.05 0.23 0.23 -0.07 0.02 0.00 0.00 177.57 178.03 1ddm h LEU 109 N 0.57 0.56 -0.52 2.57 3.38 -1.29 0.23 115.31 120.80 1ddm h LEU 109 Ca 0.15 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1ddm h LEU 109 Cb 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ddm h LEU 109 CO -0.01 0.48 -0.72 -0.09 0.09 0.00 0.00 178.44 178.18 1ddm h ARG 110 N 0.64 0.12 0.00 1.13 2.43 -1.21 0.47 114.38 117.95 1ddm h ARG 110 Ca 0.16 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1ddm h ARG 110 Cb 0.06 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ddm h ARG 110 CO -0.02 0.79 -0.48 1.04 -1.51 0.00 0.00 179.97 179.79 1ddm n GLN 111 N -3.74 0.26 0.00 0.20 6.02 -0.72 -3.73 117.38 115.68 1ddm n GLN 111 Ca -0.02 0.10 0.06 0.00 -0.01 0.00 0.00 57.00 57.13 1ddm n GLN 111 Cb 0.70 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 30.24 1ddm n GLN 111 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ddm n SER 112 N -2.09 1.04 -3.52 1.08 7.64 0.72 -5.04 113.62 113.46 1ddm n SER 112 Ca 0.04 -1.02 -0.23 0.00 1.01 0.00 0.00 58.87 58.67 1ddm n SER 112 Cb 0.43 0.68 0.01 0.00 -1.01 0.00 0.00 64.21 64.31 1ddm n SER 112 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1ddm n ARG 113 N -0.63 -1.34 -1.83 1.43 -4.01 0.15 -4.77 116.66 105.66 1ddm n ARG 113 Ca 0.04 0.71 -0.42 0.00 -1.04 0.00 0.00 57.85 57.14 1ddm n ARG 113 Cb 0.23 -1.81 -0.00 0.00 -3.04 0.00 0.00 32.46 27.83 1ddm n ARG 113 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1ddm n ARG 114 N -1.96 3.24 -2.86 2.89 5.12 -0.77 -4.64 116.66 117.68 1ddm n ARG 114 Ca -0.24 -2.80 -0.07 0.00 -1.93 0.00 0.00 57.85 52.80 1ddm n ARG 114 Cb 0.58 -3.10 0.01 0.00 -1.16 0.00 0.00 32.46 28.79 1ddm n ARG 114 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ddm n ARG 115 N 5.00 -2.62 -2.76 5.56 1.74 -1.26 -3.31 116.66 119.02 1ddm n ARG 115 Ca 0.53 2.24 -0.41 0.00 -0.77 0.00 0.00 57.85 59.45 1ddm n ARG 115 Cb 0.35 -5.31 -0.05 0.00 -1.02 0.00 0.00 32.46 26.44 1ddm n ARG 115 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ddm s PRO 116 N -2.31 4.69 0.16 5.56 0.04 -1.24 -4.32 135.00 137.58 1ddm s PRO 116 Ca 0.19 1.41 0.06 0.00 0.04 0.00 0.00 61.00 62.69 1ddm s PRO 116 Cb -0.05 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1ddm s PRO 116 CO 0.76 0.25 -0.12 0.08 0.04 0.00 0.00 177.00 178.01 1ddm s VAL 117 N -0.10 1.35 -0.37 -0.36 1.01 -1.10 -4.92 120.40 115.90 1ddm s VAL 117 Ca 0.46 -2.03 0.04 0.00 0.00 0.00 0.00 61.98 60.44 1ddm s VAL 117 Cb -0.23 -1.83 0.11 0.00 0.00 0.00 0.00 36.38 34.42 1ddm s VAL 117 CO 0.29 -0.64 0.09 -0.60 0.00 0.00 0.00 175.10 174.24 1ddm s ARG 118 N -3.51 1.58 0.28 2.72 3.52 -1.26 -1.99 118.95 120.30 1ddm s ARG 118 Ca 0.17 -1.99 0.02 0.00 -0.13 0.00 0.00 55.73 53.80 1ddm s ARG 118 Cb 0.00 -3.24 -0.06 0.00 -1.56 0.00 0.00 34.95 30.09 1ddm s ARG 118 CO 0.03 -0.97 0.08 0.20 -0.81 0.00 0.00 175.30 173.82 1ddm s GLY 119 N 0.76 1.87 -0.54 8.12 0.00 -1.22 -2.32 107.32 113.99 1ddm s GLY 119 Ca 0.12 -1.94 -0.20 0.00 0.00 0.00 0.00 44.72 42.69 1ddm s GLY 119 CO -0.07 -1.69 0.72 -2.27 0.00 0.00 0.00 173.10 169.80 1ddm s LEU 120 N -3.38 4.83 0.03 0.66 1.98 0.26 -0.99 118.68 122.07 1ddm s LEU 120 Ca 0.37 -0.90 -0.30 0.00 -2.89 0.00 0.00 54.13 50.41 1ddm s LEU 120 Cb 0.08 -2.49 -0.05 0.00 0.66 0.00 0.00 46.19 44.39 1ddm s LEU 120 CO 0.14 -1.04 1.18 -0.22 -1.89 0.00 0.00 176.35 174.53 1ddm s LEU 121 N 3.00 4.35 -0.50 -0.68 2.96 -0.60 -2.35 118.68 124.86 1ddm s LEU 121 Ca 0.18 1.95 -0.01 0.00 -0.22 0.00 0.00 54.13 56.03 1ddm s LEU 121 Cb -0.19 -3.57 0.13 0.00 0.50 0.00 0.00 46.19 43.06 1ddm s LEU 121 CO 0.12 -0.47 0.28 -1.00 -1.32 0.00 0.00 176.35 173.96 1ddm s HIS 122 N 1.27 3.47 -0.88 5.38 3.76 -0.70 -2.40 115.29 125.19 1ddm s HIS 122 Ca 0.58 -2.75 -0.25 0.00 -0.15 0.00 0.00 55.06 52.49 1ddm s HIS 122 Cb -0.28 -3.10 -0.05 0.00 1.11 0.00 0.00 32.58 30.26 1ddm s HIS 122 CO 0.28 -0.88 1.96 0.08 -0.85 0.00 0.00 174.74 175.33 1ddm s VAL 123 N 0.39 3.42 0.07 -0.90 1.01 -1.09 -2.84 120.40 120.47 1ddm s VAL 123 Ca 0.13 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1ddm s VAL 123 Cb -0.22 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 1ddm s VAL 123 CO -0.04 -0.90 0.54 -0.94 0.00 0.00 0.00 175.10 173.76 1ddm s SER 124 N 8.17 6.98 0.00 3.32 1.04 -1.25 -2.69 113.70 129.27 1ddm s SER 124 Ca 0.71 1.18 0.08 0.00 0.48 0.00 0.00 55.95 58.40 1ddm s SER 124 Cb -0.07 -2.33 0.50 0.00 0.10 0.00 0.00 66.02 64.22 1ddm s SER 124 CO 0.01 0.26 0.92 0.61 0.98 0.00 0.00 173.24 176.01 1ddm n GLY 125 N 1.59 -0.32 1.42 7.32 0.00 -1.02 -1.87 105.19 112.30 1ddm n GLY 125 Ca -0.10 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1ddm n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ddm n ASP 126 N -0.90 1.78 0.00 1.61 2.03 -1.26 -4.66 116.55 115.14 1ddm n ASP 126 Ca 0.06 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1ddm n ASP 126 Cb 0.03 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 1ddm n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ddm n GLY 127 N -0.35 3.55 3.76 0.27 0.00 -0.78 -4.87 105.19 106.76 1ddm n GLY 127 Ca 0.15 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 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 4.44 -0.11 0.99 1.43 -1.18 -3.82 118.68 120.44 1ddm s LEU 128 Ca 0.00 2.12 -0.04 0.00 -1.03 0.00 0.00 54.13 55.17 1ddm s LEU 128 Cb 0.00 -3.80 0.05 0.00 0.03 0.00 0.00 46.19 42.47 1ddm s LEU 128 CO 0.00 -0.17 0.22 0.00 0.23 0.00 0.00 176.35 176.63 1ddm s ARG 129 N -1.72 0.12 -0.29 1.70 1.70 -1.13 -3.29 118.95 116.03 1ddm s ARG 129 Ca 0.48 0.62 -0.10 0.00 -0.47 0.00 0.00 55.73 56.26 1ddm s ARG 129 Cb -0.27 -0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 33.94 1ddm s ARG 129 CO 0.34 -0.26 0.16 0.08 -1.08 0.00 0.00 175.30 174.55 1ddm s VAL 130 N 2.08 4.95 -0.29 4.99 1.01 -0.97 -1.72 120.40 130.46 1ddm s VAL 130 Ca -0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 1ddm s VAL 130 Cb -0.12 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1ddm s VAL 130 CO -0.07 0.20 0.10 -0.69 0.00 0.00 0.00 175.10 174.64 1ddm s VAL 131 N 1.70 4.30 0.63 2.92 1.01 -0.99 -2.35 120.40 127.62 1ddm s VAL 131 Ca 0.06 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 1ddm s VAL 131 Cb -0.16 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 1ddm s VAL 131 CO 0.08 0.15 0.57 -0.67 0.00 0.00 0.00 175.10 175.23 1ddm n ASP 132 N 4.93 -0.91 -0.16 3.32 2.03 -1.26 -0.57 116.55 123.92 1ddm n ASP 132 Ca -0.15 0.69 0.13 0.00 0.52 0.00 0.00 54.79 55.97 1ddm n ASP 132 Cb 0.49 -1.21 0.32 0.00 -0.72 0.00 0.00 41.12 40.00 1ddm n ASP 132 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ddm n ASP 133 N 0.06 0.86 -0.00 1.67 9.92 -0.98 -2.42 116.55 125.65 1ddm n ASP 133 Ca 0.11 -0.68 -0.00 0.00 -0.53 0.00 0.00 54.79 53.69 1ddm n ASP 133 Cb 0.48 0.20 -0.00 0.00 -0.64 0.00 0.00 41.12 41.16 1ddm n ASP 133 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ddm n GLU 134 N -0.95 0.01 0.16 -1.24 -0.58 -1.26 -4.74 120.64 112.03 1ddm n GLU 134 Ca 0.10 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.92 1ddm n GLU 134 Cb 0.34 -0.51 0.08 0.00 -0.57 0.00 0.00 31.44 30.78 1ddm n GLU 134 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1ddm h THR 135 N -0.01 0.26 -3.39 2.62 2.02 -1.94 -3.47 112.91 108.99 1ddm h THR 135 Ca -0.01 -1.39 -0.25 0.00 0.77 0.00 0.00 66.41 65.53 1ddm h THR 135 Cb 0.98 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 69.37 1ddm h THR 135 CO -0.01 0.15 -0.30 0.29 0.37 0.00 0.00 175.52 176.02 1ddm n LYS 136 N -3.03 -2.05 0.00 6.66 4.76 -1.02 -4.91 118.16 118.57 1ddm n LYS 136 Ca 0.01 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 1ddm n LYS 136 Cb 0.61 -5.15 0.00 0.00 -1.84 0.00 0.00 35.03 28.65 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 -0.70 0.92 3.22 0.72 0.00 -1.26 -4.70 105.19 103.38 1ddm n GLY 137 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.53 -0.19 0.99 2.96 -1.26 -4.38 118.68 116.28 1ddm s LEU 138 Ca 0.00 0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 54.31 1ddm s LEU 138 Cb 0.00 1.49 -0.21 0.00 0.50 0.00 0.00 46.19 47.97 1ddm s LEU 138 CO 0.00 -0.10 0.09 2.30 -1.32 0.00 0.00 176.35 177.32 1ddm n ILE 139 N 5.27 1.64 -3.97 6.68 -5.35 -0.99 -4.83 119.36 117.81 1ddm n ILE 139 Ca -0.07 -0.56 -0.31 0.00 -0.27 0.00 0.00 62.75 61.54 1ddm n ILE 139 Cb 0.53 -1.65 -0.15 0.00 -1.74 0.00 0.00 39.64 36.63 1ddm n ILE 139 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1ddm s VAL 140 N -2.53 1.91 -0.56 7.28 1.01 -1.26 -4.99 120.40 121.27 1ddm s VAL 140 Ca -0.29 -1.86 0.03 0.00 0.00 0.00 0.00 61.98 59.86 1ddm s VAL 140 Cb 0.08 -2.29 0.40 0.00 0.00 0.00 0.00 36.38 34.57 1ddm s VAL 140 CO 0.67 -0.41 1.43 -0.67 0.00 0.00 0.00 175.10 176.12 1ddm n ASP 141 N 4.45 5.70 -1.32 3.32 2.03 -1.26 -2.29 116.55 127.18 1ddm n ASP 141 Ca -0.03 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.52 1ddm n ASP 141 Cb 0.42 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 -0.53 1.66 -4.19 -0.67 1.13 -1.21 -5.02 117.38 108.55 1ddm n GLN 142 Ca 0.45 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.38 1ddm n GLN 142 Cb 0.56 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.80 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 1.21 0.88 0.12 5.09 2.01 -1.26 -3.07 115.64 120.61 1ddm s THR 143 Ca 0.00 -1.86 -0.16 0.00 0.31 0.00 0.00 61.69 59.98 1ddm s THR 143 Cb 0.00 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1ddm s THR 143 CO 0.00 -0.74 1.60 0.40 -0.69 0.00 0.00 174.62 175.19 1ddm h ILE 144 N 3.13 1.24 0.00 1.82 2.04 -1.89 -2.21 117.51 121.64 1ddm h ILE 144 Ca -0.36 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1ddm h ILE 144 Cb 1.18 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1ddm h ILE 144 CO 0.60 0.28 -0.00 1.05 0.00 0.00 0.00 178.15 180.09 1ddm h GLU 145 N 0.46 0.00 -0.18 2.37 4.11 -1.97 -3.23 114.58 116.14 1ddm h GLU 145 Ca 0.11 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.47 1ddm h GLU 145 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ddm h GLU 145 CO 0.01 0.00 -0.18 -0.22 0.07 0.00 0.00 179.01 178.69 1ddm h LYS 146 N 0.00 0.44 -7.10 1.06 3.64 -1.87 -3.44 116.57 109.30 1ddm h LYS 146 Ca -0.00 -0.23 -0.48 0.00 -1.27 0.00 0.00 60.65 58.67 1ddm h LYS 146 Cb 0.85 0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1ddm h LYS 146 CO 0.00 0.80 0.38 0.14 -2.27 0.00 0.00 179.45 178.51 1ddm s VAL 147 N -4.31 3.80 0.12 2.00 -7.23 -0.87 -4.91 120.40 108.99 1ddm s VAL 147 Ca -0.14 1.06 -0.26 0.00 -1.81 0.00 0.00 61.98 60.84 1ddm s VAL 147 Cb 0.06 -3.44 -0.06 0.00 0.56 0.00 0.00 36.38 33.50 1ddm s VAL 147 CO 0.77 -0.30 1.64 -1.28 -0.31 0.00 0.00 175.10 175.63 1ddm h SER 148 N 1.33 -0.70 -1.11 4.85 0.87 -1.77 -3.48 113.55 113.53 1ddm h SER 148 Ca -0.49 0.09 0.13 0.00 -1.23 0.00 0.00 61.79 60.29 1ddm h SER 148 Cb 1.22 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.44 1ddm h SER 148 CO 0.59 -0.31 0.35 2.22 -0.53 0.00 0.00 176.83 179.14 1ddm n PHE 149 N -5.36 -0.43 -4.23 2.24 1.16 -1.26 -5.07 117.46 104.51 1ddm n PHE 149 Ca -0.05 -0.37 -0.24 0.00 -1.87 0.00 0.00 57.45 54.92 1ddm n PHE 149 Cb 0.27 0.17 -0.07 0.00 -1.61 0.00 0.00 39.48 38.25 1ddm n PHE 149 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ddm s ALA 151 N -2.06 -2.82 0.00 0.00 0.00 -0.98 -4.86 121.76 111.03 1ddm s ALA 151 Ca 0.30 1.86 0.00 0.00 0.00 0.00 0.00 51.96 54.12 1ddm s ALA 151 Cb -0.08 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1ddm s ALA 151 CO 0.20 -1.16 0.00 -0.35 0.00 0.00 0.00 175.76 174.46 1ddm n PRO 152 N 5.22 0.00 -3.81 0.00 -0.04 -1.26 -1.34 135.00 133.76 1ddm n PRO 152 Ca -0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 1ddm n PRO 152 Cb 0.52 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1ddm n PRO 152 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1ddm s ASP 153 N -1.00 0.00 0.00 3.54 -4.77 -0.94 -4.00 116.67 109.51 1ddm s ASP 153 Ca 0.00 -1.13 0.00 0.00 -3.30 0.00 0.00 52.55 48.12 1ddm s ASP 153 Cb 0.00 0.84 0.00 0.00 -1.09 0.00 0.00 42.92 42.67 1ddm s ASP 153 CO 0.00 -1.67 0.39 0.54 0.70 0.00 0.00 175.17 175.13 1ddm n ARG 154 N -0.54 0.64 0.15 2.11 1.74 -1.26 -4.19 116.66 115.31 1ddm n ARG 154 Ca -0.08 -0.39 -0.06 0.00 -0.77 0.00 0.00 57.85 56.55 1ddm n ARG 154 Cb 0.60 -0.89 -0.03 0.00 -1.02 0.00 0.00 32.46 31.12 1ddm n ARG 154 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1ddm h ASN 155 N 0.00 -0.33 0.00 0.55 -1.24 -1.96 -3.41 115.58 109.19 1ddm h ASN 155 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1ddm h ASN 155 Cb 0.01 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.14 1ddm h ASN 155 CO 0.00 -0.20 0.00 1.41 -1.29 0.00 0.00 177.43 177.35 1ddm n HIS 156 N -3.25 0.00 -1.35 0.67 8.25 -1.26 -4.99 115.22 113.29 1ddm n HIS 156 Ca -0.05 -0.05 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 1ddm n HIS 156 Cb 0.15 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 1ddm n HIS 156 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ddm n GLU 157 N -0.05 -1.67 -0.04 -0.41 1.02 -1.26 -4.78 120.64 113.45 1ddm n GLU 157 Ca 0.00 0.93 0.10 0.00 -0.02 0.00 0.00 57.16 58.16 1ddm n GLU 157 Cb 0.23 -5.35 0.10 0.00 -0.02 0.00 0.00 31.44 26.40 1ddm n GLU 157 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ddm n ARG 158 N -1.01 1.81 -5.18 3.49 1.85 -1.26 -4.20 116.66 112.16 1ddm n ARG 158 Ca -0.12 -1.75 -0.32 0.00 -1.00 0.00 0.00 57.85 54.66 1ddm n ARG 158 Cb 0.61 -1.38 -0.16 0.00 -1.05 0.00 0.00 32.46 30.47 1ddm n ARG 158 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1ddm s GLY 159 N -1.52 1.35 0.25 2.89 0.00 -1.26 -2.87 107.32 106.16 1ddm s GLY 159 Ca 0.25 -1.01 0.06 0.00 0.00 0.00 0.00 44.72 44.02 1ddm s GLY 159 CO 0.24 -0.52 -0.07 -1.36 0.00 0.00 0.00 173.10 171.39 1ddm s PHE 160 N -0.01 1.81 -0.20 1.90 0.08 -0.81 -2.21 117.98 118.55 1ddm s PHE 160 Ca -0.07 -0.71 -0.28 0.00 0.12 0.00 0.00 56.93 55.99 1ddm s PHE 160 Cb -0.15 -0.99 0.10 0.00 -0.57 0.00 0.00 43.02 41.41 1ddm s PHE 160 CO 0.05 0.24 0.87 -1.54 -0.10 0.00 0.00 175.22 174.75 1ddm s SER 161 N -3.38 -0.55 -0.02 1.36 1.04 -0.45 -2.11 113.70 109.60 1ddm s SER 161 Ca 0.27 0.86 0.05 0.00 0.48 0.00 0.00 55.95 57.62 1ddm s SER 161 Cb 0.03 0.80 -0.01 0.00 0.10 0.00 0.00 66.02 66.94 1ddm s SER 161 CO 0.10 -0.32 -0.18 -0.72 0.98 0.00 0.00 173.24 173.10 1ddm s TYR 162 N -0.36 1.59 -0.11 5.02 -0.85 -0.67 -2.33 117.35 119.63 1ddm s TYR 162 Ca -0.02 -0.31 -0.06 0.00 -0.52 0.00 0.00 57.07 56.16 1ddm s TYR 162 Cb -0.03 -1.03 -0.04 0.00 0.38 0.00 0.00 41.96 41.25 1ddm s TYR 162 CO 0.01 -0.04 0.12 0.42 -1.52 0.00 0.00 175.55 174.54 1ddm s ILE 163 N -0.37 5.33 -0.14 -3.49 1.09 -1.25 -0.79 121.20 121.58 1ddm s ILE 163 Ca 0.06 0.14 -0.07 0.00 -1.10 0.00 0.00 60.65 59.68 1ddm s ILE 163 Cb -0.07 -3.31 0.05 0.00 -1.06 0.00 0.00 42.46 38.07 1ddm s ILE 163 CO -0.00 0.62 0.33 0.00 -0.10 0.00 0.00 174.94 175.78 1ddm s ARG 165 N 1.38 4.13 1.62 0.00 3.00 -1.26 -2.67 118.95 125.14 1ddm s ARG 165 Ca -0.09 0.30 0.00 0.00 0.00 0.00 0.00 55.73 55.94 1ddm s ARG 165 Cb -0.09 -3.60 0.00 0.00 0.00 0.00 0.00 34.95 31.26 1ddm s ARG 165 CO -0.11 -0.21 0.00 -0.25 0.00 0.00 0.00 175.30 174.74 1ddm n ASP 166 N 5.02 -1.37 0.00 0.23 8.00 0.11 -4.80 116.55 123.74 1ddm n ASP 166 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1ddm n ASP 166 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 2.86 0.00 0.44 0.00 -1.26 -4.18 105.19 103.05 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 -0.10 0.00 0.00 2.61 5.66 -1.26 -4.92 114.28 116.27 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 -2.73 1.09 -1.04 -1.26 -5.02 114.28 105.31 1ddm n THR 169 Ca 0.00 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.79 1ddm n THR 169 Cb 0.31 0.25 0.01 0.00 -1.82 0.00 0.00 70.33 69.08 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 -0.22 -3.16 -3.54 -2.82 1.74 -1.26 -4.84 116.66 102.56 1ddm n ARG 170 Ca 0.00 0.87 -0.15 0.00 -0.77 0.00 0.00 57.85 57.80 1ddm n ARG 170 Cb 0.00 -5.60 -0.06 0.00 -1.02 0.00 0.00 32.46 25.78 1ddm n ARG 170 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ddm s ARG 171 N -5.39 0.88 -1.23 5.56 0.52 -1.26 -4.74 118.95 113.29 1ddm s ARG 171 Ca 0.15 0.21 -0.20 0.00 -0.52 0.00 0.00 55.73 55.37 1ddm s ARG 171 Cb -0.07 0.42 -0.01 0.00 0.52 0.00 0.00 34.95 35.80 1ddm s ARG 171 CO 0.19 -0.28 1.86 -2.67 0.02 0.00 0.00 175.30 174.42 1ddm n TRP 172 N 0.83 3.64 -3.98 -0.53 2.14 -1.26 -0.71 117.44 117.56 1ddm n TRP 172 Ca -0.16 -2.19 -0.23 0.00 2.07 0.00 0.00 57.50 57.00 1ddm n TRP 172 Cb 0.57 -2.59 -0.06 0.00 -0.81 0.00 0.00 31.31 28.43 1ddm n TRP 172 CO 0.00 0.00 0.00 -1.64 2.07 0.00 0.00 177.69 178.12 1ddm s MET 173 N 5.21 2.42 -0.10 -2.67 -1.94 -1.09 -2.77 119.30 118.36 1ddm s MET 173 Ca 0.60 -1.57 0.03 0.00 -1.71 0.00 0.00 55.69 53.04 1ddm s MET 173 Cb 0.03 -2.21 0.01 0.00 2.01 0.00 0.00 34.83 34.67 1ddm s MET 173 CO 0.10 0.02 -0.18 0.00 -0.01 0.00 0.00 175.02 174.94 1ddm s HIS 175 N 0.71 3.40 0.19 0.00 3.76 0.03 -2.35 115.29 121.03 1ddm s HIS 175 Ca -0.12 0.85 0.07 0.00 -0.15 0.00 0.00 55.06 55.71 1ddm s HIS 175 Cb -0.16 -2.70 -0.04 0.00 1.11 0.00 0.00 32.58 30.79 1ddm s HIS 175 CO 0.02 -0.08 0.09 0.20 -0.85 0.00 0.00 174.74 174.12 1ddm s GLY 176 N 1.08 1.66 -0.16 -2.22 0.00 -1.23 -1.67 107.32 104.78 1ddm s GLY 176 Ca 0.26 -1.35 -0.30 0.00 0.00 0.00 0.00 44.72 43.33 1ddm s GLY 176 CO 0.10 -1.37 1.05 -0.11 0.00 0.00 0.00 173.10 172.78 1ddm s PHE 177 N -1.87 -0.29 0.34 1.90 -0.71 -0.89 -2.30 117.98 114.15 1ddm s PHE 177 Ca 0.30 0.43 0.08 0.00 -1.04 0.00 0.00 56.93 56.70 1ddm s PHE 177 Cb -0.09 0.48 -0.07 0.00 -1.21 0.00 0.00 43.02 42.13 1ddm s PHE 177 CO 0.22 -0.32 -0.07 -0.51 -1.34 0.00 0.00 175.22 173.21 1ddm s LEU 178 N -1.43 2.68 -0.14 -1.99 1.02 -1.21 -1.92 118.68 115.70 1ddm s LEU 178 Ca 0.02 -1.23 -0.22 0.00 0.02 0.00 0.00 54.13 52.72 1ddm s LEU 178 Cb -0.01 -0.89 -0.03 0.00 0.02 0.00 0.00 46.19 45.29 1ddm s LEU 178 CO -0.02 -0.29 0.68 0.00 0.02 0.00 0.00 176.35 176.75 1ddm s ALA 179 N -2.74 3.46 0.55 4.21 0.00 -1.14 -1.26 121.76 124.85 1ddm s ALA 179 Ca 0.32 -0.06 0.40 0.00 0.00 0.00 0.00 51.96 52.62 1ddm s ALA 179 Cb 0.04 -2.99 2.12 0.00 0.00 0.00 0.00 23.12 22.29 1ddm s ALA 179 CO 0.16 -0.38 2.28 0.00 0.00 0.00 0.00 175.76 177.82 1ddm h LYS 181 N 0.00 0.00 -5.55 0.00 1.79 -1.92 -3.50 116.57 107.39 1ddm h LYS 181 Ca -0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1ddm h LYS 181 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1ddm h LYS 181 CO 0.00 0.24 -0.78 -0.25 -1.08 0.00 0.00 179.45 177.58 1ddm n ASP 182 N -3.01 -7.46 0.15 0.86 8.00 -0.11 -4.96 116.55 110.03 1ddm n ASP 182 Ca -0.01 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1ddm n ASP 182 Cb 0.67 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 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 0.07 -2.66 0.00 -2.24 2.88 -1.26 -5.07 113.62 105.34 1ddm n SER 183 Ca 0.05 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1ddm n SER 183 Cb 0.40 2.65 0.00 0.00 -0.75 0.00 0.00 64.21 66.51 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 -1.46 0.96 0.00 0.46 0.00 -1.26 -4.41 105.19 99.47 1ddm n GLY 184 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.04 1.61 2.13 -1.26 -4.50 120.64 118.66 1ddm n GLU 185 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 1ddm n GLU 185 Cb 0.00 -0.24 0.41 0.00 0.27 0.00 0.00 31.44 31.88 1ddm n GLU 185 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ddm n ARG 186 N -0.85 0.07 0.00 5.31 5.12 -1.26 -3.50 116.66 121.55 1ddm n ARG 186 Ca 0.00 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 1ddm n ARG 186 Cb 0.00 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 1ddm n ARG 186 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ddm n LEU 187 N -1.74 0.30 0.25 0.55 4.32 -1.26 -4.15 117.00 115.26 1ddm n LEU 187 Ca 0.04 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.87 1ddm n LEU 187 Cb 0.23 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.96 1ddm n LEU 187 CO 0.19 0.05 0.67 -1.28 -1.22 0.00 0.00 177.39 175.80 1ddm h SER 188 N 0.00 -0.75 0.00 -1.43 0.87 -1.79 -1.27 113.55 109.18 1ddm h SER 188 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ddm h SER 188 Cb 0.15 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1ddm h SER 188 CO 0.00 -0.45 0.00 1.57 -0.53 0.00 0.00 176.83 177.42 1ddm n HIS 189 N -5.42 0.00 -0.09 2.24 -0.00 -1.23 -1.94 115.22 108.78 1ddm n HIS 189 Ca -0.10 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.94 1ddm n HIS 189 Cb 0.32 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.12 1ddm n HIS 189 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ddm h ALA 190 N 3.48 0.13 -0.00 1.57 0.00 -1.47 -3.35 119.26 119.62 1ddm h ALA 190 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 54.91 53.92 1ddm h ALA 190 Cb 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ddm h ALA 190 CO 0.00 0.56 -0.78 -0.24 0.00 0.00 0.00 179.25 178.79 1ddm h VAL 191 N -1.00 1.54 0.00 0.00 3.04 -1.34 -2.97 116.25 115.53 1ddm h VAL 191 Ca -0.17 -2.62 0.00 0.00 -1.01 0.00 0.00 66.70 62.90 1ddm h VAL 191 Cb 0.89 2.42 0.00 0.00 -2.01 0.00 0.00 31.29 32.59 1ddm h VAL 191 CO -0.10 0.75 0.00 0.61 -1.01 0.00 0.00 177.57 177.82 1ddm n GLY 192 N 0.70 -0.76 0.00 3.17 0.00 -0.82 -1.32 105.19 106.17 1ddm n GLY 192 Ca -0.01 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 1.41 0.63 -0.23 0.00 0.00 -1.10 -2.67 119.26 117.30 1ddm h ALA 194 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ddm h ALA 194 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ddm h ALA 194 CO 0.00 0.32 0.06 0.27 0.00 0.00 0.00 179.25 179.90 1ddm h PHE 195 N 0.65 0.32 -0.33 0.00 -0.00 -1.81 -1.55 116.94 114.22 1ddm h PHE 195 Ca 0.15 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 58.09 1ddm h PHE 195 Cb 0.33 -0.10 -0.02 0.00 -0.00 0.00 0.00 35.95 36.16 1ddm h PHE 195 CO 0.02 0.29 0.11 0.00 -0.00 0.00 0.00 178.31 178.73 1ddm h ALA 196 N 1.75 1.59 -0.33 12.09 0.00 -1.74 -0.61 119.26 132.01 1ddm h ALA 196 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ddm h ALA 196 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ddm h ALA 196 CO -0.00 0.32 0.00 0.28 0.00 0.00 0.00 179.25 179.85 1ddm n VAL 197 N -4.39 0.43 -0.07 0.00 0.31 -0.65 -4.16 118.33 109.80 1ddm n VAL 197 Ca 0.02 -0.59 -0.22 0.00 -0.01 0.00 0.00 64.34 63.53 1ddm n VAL 197 Cb 0.15 0.66 -0.12 0.00 -0.91 0.00 0.00 33.84 33.62 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 -3.78 0.00 0.25 0.00 -0.00 -1.00 -3.17 117.00 109.30 1ddm n LEU 199 Ca -0.38 0.15 0.10 0.00 -0.00 0.00 0.00 56.01 55.88 1ddm n LEU 199 Cb 0.92 -0.15 0.70 0.00 -0.00 0.00 0.00 43.42 44.89 1ddm n LEU 199 CO 0.28 -0.04 1.09 1.05 -0.00 0.00 0.00 177.39 179.76 1ddm h GLU 200 N 0.00 0.00 -0.02 1.47 -0.00 -1.72 -3.52 114.58 110.78 1ddm h GLU 200 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1ddm h GLU 200 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.86 1ddm h GLU 200 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 179.01 176.88