#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddm n GLN 68 N 0.00 0.60 0.25 1.57 7.27 -1.26 -4.39 117.38 121.42 1ddm n GLN 68 Ca 0.00 0.27 0.10 0.00 0.07 0.00 0.00 57.00 57.44 1ddm n GLN 68 Cb 0.00 -1.53 0.63 0.00 2.41 0.00 0.00 30.24 31.75 1ddm n GLN 68 CO 0.00 0.00 0.00 -1.49 0.07 0.00 0.00 177.06 175.64 1ddm h TRP 69 N -0.78 0.00 0.00 3.69 4.06 -2.03 -0.94 115.95 119.94 1ddm h TRP 69 Ca -0.64 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.31 1ddm h TRP 69 Cb 1.65 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.81 1ddm h TRP 69 CO -0.04 0.16 0.00 1.04 -3.56 0.00 0.00 178.44 176.04 1ddm n GLN 70 N -3.83 0.06 -0.00 0.49 6.02 -1.26 -1.60 117.38 117.25 1ddm n GLN 70 Ca -0.02 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1ddm n GLN 70 Cb 0.26 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.01 1ddm n GLN 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ddm n ALA 71 N -1.42 2.01 0.06 -1.58 0.00 -0.51 -4.47 120.51 114.59 1ddm n ALA 71 Ca 0.04 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1ddm n ALA 71 Cb 0.12 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.56 1ddm n ALA 71 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1ddm h ASP 72 N 0.00 0.85 -0.41 0.00 3.58 -0.91 -2.44 116.42 117.09 1ddm h ASP 72 Ca -0.01 -0.71 -0.15 0.00 0.42 0.00 0.00 57.03 56.58 1ddm h ASP 72 Cb 0.52 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1ddm h ASP 72 CO 0.00 1.52 -0.30 -0.33 -2.88 0.00 0.00 179.24 177.24 1ddm h GLU 73 N 0.34 0.95 0.00 0.28 5.08 -1.57 -2.69 114.58 116.97 1ddm h GLU 73 Ca -0.14 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1ddm h GLU 73 Cb 1.75 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1ddm h GLU 73 CO 0.21 1.11 0.00 0.93 -1.00 0.00 0.00 179.01 180.26 1ddm h GLU 74 N 0.80 0.00 -0.17 2.33 3.07 -1.78 -3.20 114.58 115.63 1ddm h GLU 74 Ca 0.08 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1ddm h GLU 74 Cb 0.89 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 1ddm h GLU 74 CO 0.08 0.00 0.06 0.00 -1.40 0.00 0.00 179.01 177.75 1ddm h ALA 75 N 2.32 0.22 -0.93 3.43 0.00 -1.08 -0.35 119.26 122.88 1ddm h ALA 75 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ddm h ALA 75 Cb 0.57 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1ddm h ALA 75 CO 0.00 -0.17 0.60 0.28 0.00 0.00 0.00 179.25 179.96 1ddm h VAL 76 N 0.10 1.16 -0.12 0.00 2.07 -1.61 -0.51 116.25 117.33 1ddm h VAL 76 Ca 0.05 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1ddm h VAL 76 Cb 0.21 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1ddm h VAL 76 CO -0.00 0.21 -0.22 0.03 0.02 0.00 0.00 177.57 177.62 1ddm h ARG 77 N 1.17 0.21 -0.00 1.57 3.08 -1.59 -0.82 114.38 118.00 1ddm h ARG 77 Ca 0.37 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1ddm h ARG 77 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ddm h ARG 77 CO -0.12 0.42 -0.00 0.43 -1.07 0.00 0.00 179.97 179.63 1ddm n SER 78 N -4.20 0.09 -2.20 7.04 7.64 -0.16 -4.89 113.62 116.93 1ddm n SER 78 Ca -0.01 -0.90 -0.13 0.00 1.01 0.00 0.00 58.87 58.84 1ddm n SER 78 Cb 0.33 -0.04 0.04 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.98 -0.72 -2.85 -0.43 0.00 -0.39 -4.99 120.51 110.15 1ddm n ALA 79 Ca 0.22 0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.89 1ddm n ALA 79 Cb 0.15 -3.27 0.01 0.00 0.00 0.00 0.00 19.45 16.33 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 -3.17 -0.43 0.00 0.00 -1.32 -0.43 -4.42 115.64 105.87 1ddm s THR 80 Ca 0.32 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1ddm s THR 80 Cb -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.85 1ddm s THR 80 CO 0.40 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.81 1ddm n SER 82 N 0.00 -1.36 -0.79 0.00 7.64 -1.26 -2.76 113.62 115.10 1ddm n SER 82 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddm n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddm n SER 82 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ddm n PHE 83 N 0.00 -0.72 -1.49 1.43 3.72 -1.03 -4.88 117.46 114.48 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 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.72 -0.60 -1.40 4.37 7.64 -1.26 -1.55 113.62 120.10 1ddm n SER 84 Ca 0.00 0.74 -0.03 0.00 1.01 0.00 0.00 58.87 60.59 1ddm n SER 84 Cb 0.00 -1.23 -0.01 0.00 -1.01 0.00 0.00 64.21 61.96 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 -1.77 0.00 -3.16 0.44 0.24 -0.08 -2.79 118.33 111.21 1ddm n VAL 85 Ca 0.12 -0.42 -0.18 0.00 -2.04 0.00 0.00 64.34 61.82 1ddm n VAL 85 Cb 0.48 0.22 -0.06 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.23 0.94 1.07 7.34 1.02 -0.69 -3.52 119.74 123.68 1ddm s LYS 86 Ca 0.07 -1.62 -0.16 0.00 0.02 0.00 0.00 55.97 54.28 1ddm s LYS 86 Cb 0.00 -0.85 0.12 0.00 -0.52 0.00 0.00 37.83 36.58 1ddm s LYS 86 CO 0.05 -1.35 0.34 0.98 -0.92 0.00 0.00 175.35 174.45 1ddm n TYR 87 N 3.00 -1.27 0.00 3.18 9.36 -0.99 -2.26 117.16 128.18 1ddm n TYR 87 Ca 0.24 0.13 0.00 0.00 3.32 0.00 0.00 57.90 61.59 1ddm n TYR 87 Cb 0.51 -1.67 0.00 0.00 -0.63 0.00 0.00 39.34 37.55 1ddm n TYR 87 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1ddm n LEU 88 N -2.27 0.62 0.00 2.98 4.77 -0.94 -2.95 117.00 119.21 1ddm n LEU 88 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1ddm n LEU 88 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1ddm n LEU 88 CO 0.52 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1ddm n GLY 89 N 2.62 0.03 3.33 -0.72 0.00 -1.25 -3.42 105.19 105.78 1ddm n GLY 89 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 0.93 0.76 0.07 0.00 -7.23 -0.97 -5.04 120.40 108.92 1ddm s VAL 91 Ca -0.06 -1.94 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 1ddm s VAL 91 Cb -0.06 -1.69 -0.07 0.00 0.56 0.00 0.00 36.38 35.12 1ddm s VAL 91 CO -0.08 -0.85 0.59 -1.83 -0.31 0.00 0.00 175.10 172.63 1ddm s GLU 92 N -3.79 4.26 -0.08 4.82 -1.05 -1.26 -1.69 118.70 119.91 1ddm s GLU 92 Ca 0.12 0.78 0.01 0.00 -0.15 0.00 0.00 54.97 55.73 1ddm s GLU 92 Cb 0.05 -3.26 0.02 0.00 -0.44 0.00 0.00 34.13 30.49 1ddm s GLU 92 CO -0.04 0.58 -0.10 0.14 0.95 0.00 0.00 175.26 176.79 1ddm s VAL 93 N -0.93 1.06 -1.23 1.83 -7.23 -1.03 -4.89 120.40 107.99 1ddm s VAL 93 Ca 0.30 -0.40 -0.06 0.00 -1.81 0.00 0.00 61.98 60.01 1ddm s VAL 93 Cb -0.20 -1.01 0.20 0.00 0.56 0.00 0.00 36.38 35.93 1ddm s VAL 93 CO 0.19 0.35 1.96 0.49 -0.31 0.00 0.00 175.10 177.78 1ddm n PHE 94 N 4.16 2.67 0.09 2.82 3.72 -1.26 -4.36 117.46 125.29 1ddm n PHE 94 Ca -0.20 -2.73 0.00 0.00 -0.05 0.00 0.00 57.45 54.47 1ddm n PHE 94 Cb 0.51 -1.69 0.00 0.00 -0.94 0.00 0.00 39.48 37.36 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 2.26 0.00 -1.83 -1.08 4.07 -1.26 -5.01 120.64 117.78 1ddm n GLU 95 Ca 0.45 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 57.35 1ddm n GLU 95 Cb 0.31 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.62 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 -2.81 -5.49 -3.56 4.31 7.64 -1.26 -4.93 113.62 107.50 1ddm n SER 96 Ca 0.00 0.36 -0.09 0.00 1.01 0.00 0.00 58.87 60.15 1ddm n SER 96 Cb 0.00 -4.77 -0.09 0.00 -1.01 0.00 0.00 64.21 58.34 1ddm n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddm s ARG 97 N -4.11 0.33 0.00 1.43 1.70 -1.26 -4.98 118.95 112.06 1ddm s ARG 97 Ca 0.00 0.88 0.00 0.00 -0.47 0.00 0.00 55.73 56.14 1ddm s ARG 97 Cb 0.00 0.10 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1ddm s ARG 97 CO 0.00 -0.37 0.00 0.41 -1.08 0.00 0.00 175.30 174.26 1ddm n GLY 98 N 5.38 3.03 0.29 3.88 0.00 -1.26 -4.76 105.19 111.75 1ddm n GLY 98 Ca -0.07 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.15 1ddm n GLY 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ddm n MET 99 N -0.31 0.91 0.16 1.61 0.00 -1.26 -3.82 117.12 114.41 1ddm n MET 99 Ca 0.00 -0.58 0.10 0.00 0.00 0.00 0.00 57.70 57.23 1ddm n MET 99 Cb 0.00 -1.49 0.07 0.00 0.00 0.00 0.00 33.22 31.81 1ddm n MET 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 175.97 175.41 1ddm h GLN 100 N 1.41 0.00 -0.25 3.17 3.07 -1.92 -3.27 115.11 117.32 1ddm h GLN 100 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1ddm h GLN 100 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 1ddm h GLN 100 CO 0.00 0.05 0.09 0.28 0.09 0.00 0.00 178.83 179.35 1ddm h VAL 101 N 0.00 1.10 0.00 1.86 2.07 -1.86 -2.07 116.25 117.35 1ddm h VAL 101 Ca -0.01 -0.33 -0.18 0.00 0.82 0.00 0.00 66.70 67.00 1ddm h VAL 101 Cb 1.06 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1ddm h VAL 101 CO 0.01 0.12 -1.15 0.00 0.02 0.00 0.00 177.57 176.57 1ddm h GLU 103 N 0.00 0.00 0.00 0.00 4.22 -1.43 -1.86 114.58 115.51 1ddm h GLU 103 Ca -0.11 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.11 1ddm h GLU 103 Cb 1.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.86 1ddm h GLU 103 CO 0.07 0.00 -1.75 0.39 -2.18 0.00 0.00 179.01 175.54 1ddm n GLU 104 N -2.36 0.30 0.10 1.92 1.02 -1.11 -4.56 120.64 115.96 1ddm n GLU 104 Ca 0.01 0.10 0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1ddm n GLU 104 Cb 0.19 -1.11 0.56 0.00 -0.02 0.00 0.00 31.44 31.06 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 -0.28 1.97 -0.80 0.62 0.00 -1.44 -1.49 119.26 117.84 1ddm h ALA 105 Ca -0.32 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1ddm h ALA 105 Cb 1.37 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1ddm h ALA 105 CO -0.14 -0.01 0.52 1.25 0.00 0.00 0.00 179.25 180.87 1ddm h LEU 106 N 0.23 0.89 -0.50 0.00 5.85 -1.58 -2.05 115.31 118.14 1ddm h LEU 106 Ca 0.12 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.66 1ddm h LEU 106 Cb 0.18 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1ddm h LEU 106 CO -0.02 0.63 -0.72 0.50 -0.34 0.00 0.00 178.44 178.49 1ddm h LYS 107 N 1.05 0.20 -0.81 1.25 1.63 -1.54 -3.05 116.57 115.30 1ddm h LYS 107 Ca 0.31 -0.17 0.08 0.00 -0.85 0.00 0.00 60.65 60.02 1ddm h LYS 107 Cb -0.06 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.54 1ddm h LYS 107 CO -0.09 0.84 0.47 0.28 -3.45 0.00 0.00 179.45 177.50 1ddm h VAL 108 N 0.13 0.96 -0.25 2.00 2.07 -0.69 0.56 116.25 121.03 1ddm h VAL 108 Ca -0.02 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 1ddm h VAL 108 Cb 1.28 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1ddm h VAL 108 CO 0.11 0.15 -0.34 -0.07 0.02 0.00 0.00 177.57 177.44 1ddm h LEU 109 N 0.82 0.55 -1.48 2.57 3.38 -1.42 -0.46 115.31 119.27 1ddm h LEU 109 Ca 0.37 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1ddm h LEU 109 Cb 0.28 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ddm h LEU 109 CO -0.22 0.86 -0.13 -0.09 0.09 0.00 0.00 178.44 178.95 1ddm h ARG 110 N 0.45 0.00 0.00 1.13 2.43 -1.06 -2.39 114.38 114.94 1ddm h ARG 110 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ddm h ARG 110 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1ddm h ARG 110 CO 0.07 0.13 -1.06 1.04 -1.51 0.00 0.00 179.97 178.63 1ddm n GLN 111 N -3.35 0.28 -2.72 0.20 6.02 0.05 -4.95 117.38 112.91 1ddm n GLN 111 Ca -0.00 -0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.75 1ddm n GLN 111 Cb 0.34 -1.58 0.11 0.00 1.02 0.00 0.00 30.24 30.12 1ddm n GLN 111 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1ddm s SER 112 N -3.86 4.42 -0.03 1.08 0.01 -0.23 -4.99 113.70 110.10 1ddm s SER 112 Ca 0.04 -0.58 0.11 0.00 1.31 0.00 0.00 55.95 56.83 1ddm s SER 112 Cb 0.15 0.23 0.38 0.00 0.21 0.00 0.00 66.02 66.99 1ddm s SER 112 CO 0.81 -1.82 1.27 -2.11 0.41 0.00 0.00 173.24 171.80 1ddm n ARG 113 N -2.73 2.22 -1.57 12.44 0.00 -1.26 -4.91 116.66 120.84 1ddm n ARG 113 Ca 0.16 -1.51 -0.45 0.00 -0.00 0.00 0.00 57.85 56.05 1ddm n ARG 113 Cb 0.61 -1.46 -0.04 0.00 -0.00 0.00 0.00 32.46 31.57 1ddm n ARG 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ddm n ARG 114 N 0.60 1.80 -1.83 2.89 5.12 -1.26 -4.90 116.66 119.08 1ddm n ARG 114 Ca 0.14 0.51 -0.41 0.00 -1.93 0.00 0.00 57.85 56.15 1ddm n ARG 114 Cb 0.44 -3.03 -0.01 0.00 -1.16 0.00 0.00 32.46 28.70 1ddm n ARG 114 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1ddm s ARG 115 N 6.17 4.15 0.40 5.56 3.00 -1.22 -4.70 118.95 132.31 1ddm s ARG 115 Ca 1.02 2.52 -0.13 0.00 -1.00 0.00 0.00 55.73 58.14 1ddm s ARG 115 Cb -0.47 -3.03 -0.08 0.00 0.00 0.00 0.00 34.95 31.37 1ddm s ARG 115 CO 0.39 -0.56 0.80 -1.25 0.00 0.00 0.00 175.30 174.68 1ddm s PRO 116 N -0.83 3.88 -0.35 5.12 0.04 -1.26 -4.24 135.00 137.36 1ddm s PRO 116 Ca 0.60 0.63 0.01 0.00 0.04 0.00 0.00 61.00 62.28 1ddm s PRO 116 Cb -0.46 -2.35 0.11 0.00 0.04 0.00 0.00 34.50 31.83 1ddm s PRO 116 CO 0.50 -0.02 0.12 0.08 0.04 0.00 0.00 177.00 177.72 1ddm s VAL 117 N -2.30 1.34 -0.01 -0.36 1.01 -1.15 -4.90 120.40 114.02 1ddm s VAL 117 Ca 0.54 -1.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.32 1ddm s VAL 117 Cb -0.10 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1ddm s VAL 117 CO 0.27 -0.71 0.95 -0.60 0.00 0.00 0.00 175.10 175.01 1ddm s ARG 118 N 1.14 4.54 0.00 2.72 3.00 -1.26 -2.34 118.95 126.74 1ddm s ARG 118 Ca 0.12 1.36 0.00 0.00 -1.00 0.00 0.00 55.73 56.21 1ddm s ARG 118 Cb -0.19 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.29 1ddm s ARG 118 CO -0.15 -0.06 0.00 0.41 0.00 0.00 0.00 175.30 175.50 1ddm n GLY 119 N 2.94 1.93 3.43 8.12 0.00 -1.23 -0.64 105.19 119.74 1ddm n GLY 119 Ca 0.05 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 1ddm n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddm s LEU 120 N 0.00 3.64 -0.14 0.99 1.98 0.65 -0.90 118.68 124.90 1ddm s LEU 120 Ca 0.00 -0.34 -0.21 0.00 -2.89 0.00 0.00 54.13 50.69 1ddm s LEU 120 Cb 0.00 -1.94 -0.03 0.00 0.66 0.00 0.00 46.19 44.88 1ddm s LEU 120 CO 0.00 -0.09 0.60 -0.22 -1.89 0.00 0.00 176.35 174.75 1ddm s LEU 121 N 1.60 4.23 -0.50 -0.68 2.96 -0.59 -1.72 118.68 123.98 1ddm s LEU 121 Ca 0.05 0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 54.86 1ddm s LEU 121 Cb -0.16 -2.88 0.13 0.00 0.50 0.00 0.00 46.19 43.78 1ddm s LEU 121 CO 0.04 -0.15 0.30 -1.00 -1.32 0.00 0.00 176.35 174.23 1ddm s HIS 122 N 1.23 3.51 -0.68 5.38 3.76 -0.48 -2.47 115.29 125.53 1ddm s HIS 122 Ca 0.30 -2.54 -0.26 0.00 -0.15 0.00 0.00 55.06 52.41 1ddm s HIS 122 Cb -0.16 -3.22 -0.06 0.00 1.11 0.00 0.00 32.58 30.25 1ddm s HIS 122 CO 0.12 -0.92 2.13 0.08 -0.85 0.00 0.00 174.74 175.31 1ddm s VAL 123 N 0.63 3.22 -0.18 -0.90 1.01 -1.11 -2.93 120.40 120.13 1ddm s VAL 123 Ca 0.12 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 1ddm s VAL 123 Cb -0.22 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1ddm s VAL 123 CO -0.04 -0.52 0.39 -0.55 0.00 0.00 0.00 175.10 174.38 1ddm s SER 124 N 9.68 6.46 0.00 3.32 0.15 -1.26 -2.22 113.70 129.84 1ddm s SER 124 Ca 0.81 0.55 0.05 0.00 0.70 0.00 0.00 55.95 58.05 1ddm s SER 124 Cb -0.12 -2.23 0.29 0.00 -1.71 0.00 0.00 66.02 62.25 1ddm s SER 124 CO 0.14 -0.04 0.82 0.61 1.20 0.00 0.00 173.24 175.98 1ddm n GLY 125 N 3.75 -0.22 1.50 9.45 0.00 -0.72 -1.45 105.19 117.51 1ddm n GLY 125 Ca -0.09 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.06 1.77 0.00 1.61 2.03 -1.26 -4.61 116.55 115.02 1ddm n ASP 126 Ca 0.03 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.55 1ddm n ASP 126 Cb 0.02 -0.40 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 -0.31 2.49 3.69 0.27 0.00 -0.53 -4.84 105.19 105.97 1ddm n GLY 127 Ca 0.15 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 4.34 0.03 0.99 1.43 -1.23 -4.14 118.68 120.10 1ddm s LEU 128 Ca 0.00 2.25 0.09 0.00 -1.03 0.00 0.00 54.13 55.44 1ddm s LEU 128 Cb 0.00 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 1ddm s LEU 128 CO 0.00 -0.77 -0.25 0.00 0.23 0.00 0.00 176.35 175.56 1ddm s ARG 129 N 2.34 1.78 -0.20 1.70 1.70 -1.15 -4.17 118.95 120.94 1ddm s ARG 129 Ca 0.67 -1.02 0.01 0.00 -0.47 0.00 0.00 55.73 54.92 1ddm s ARG 129 Cb -0.35 -1.88 0.04 0.00 -0.57 0.00 0.00 34.95 32.19 1ddm s ARG 129 CO 0.29 0.49 -0.13 0.08 -1.08 0.00 0.00 175.30 174.95 1ddm s VAL 130 N -0.75 1.82 0.12 4.99 1.01 -1.23 -1.38 120.40 124.98 1ddm s VAL 130 Ca 0.10 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1ddm s VAL 130 Cb -0.10 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 1ddm s VAL 130 CO 0.01 0.22 0.39 -0.69 0.00 0.00 0.00 175.10 175.04 1ddm s VAL 131 N 1.32 5.12 0.58 2.92 1.01 -0.70 -1.99 120.40 128.67 1ddm s VAL 131 Ca -0.01 0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 1ddm s VAL 131 Cb -0.16 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1ddm s VAL 131 CO -0.09 0.15 0.94 -1.81 0.00 0.00 0.00 175.10 174.29 1ddm s ASP 132 N -2.11 6.04 0.00 3.32 1.11 -0.88 -0.26 116.67 123.90 1ddm s ASP 132 Ca 0.37 1.11 0.09 0.00 0.18 0.00 0.00 52.55 54.30 1ddm s ASP 132 Cb -0.13 -2.21 0.16 0.00 1.07 0.00 0.00 42.92 41.81 1ddm s ASP 132 CO 0.21 -0.86 1.00 0.47 1.18 0.00 0.00 175.17 177.18 1ddm n ASP 133 N -2.59 2.27 0.00 0.27 9.92 0.19 -2.46 116.55 124.14 1ddm n ASP 133 Ca 0.04 -1.70 0.00 0.00 -0.53 0.00 0.00 54.79 52.60 1ddm n ASP 133 Cb 0.55 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 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 0.41 0.79 0.00 -1.24 4.71 -1.26 -4.80 120.64 119.24 1ddm n GLU 134 Ca 0.07 -0.19 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 1ddm n GLU 134 Cb 0.31 -0.62 0.00 0.00 -1.01 0.00 0.00 31.44 30.12 1ddm n GLU 134 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1ddm n THR 135 N -0.17 0.00 -2.40 2.62 -2.24 -1.26 -5.02 114.28 105.81 1ddm n THR 135 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1ddm n THR 135 Cb 0.08 0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1ddm n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ddm n LYS 136 N 0.00 -2.06 -3.88 -0.78 4.76 -1.03 -4.89 118.16 110.29 1ddm n LYS 136 Ca 0.00 0.72 -0.32 0.00 -2.87 0.00 0.00 58.31 55.84 1ddm n LYS 136 Cb 0.00 -5.33 -0.04 0.00 -1.84 0.00 0.00 35.03 27.82 1ddm n LYS 136 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ddm s GLY 137 N -2.04 2.20 -0.16 0.72 0.00 -1.26 -4.50 107.32 102.27 1ddm s GLY 137 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 1ddm s GLY 137 CO 0.00 -0.70 1.20 -2.27 0.00 0.00 0.00 173.10 171.33 1ddm s LEU 138 N -2.29 4.18 -0.01 0.66 2.96 -1.26 -2.07 118.68 120.85 1ddm s LEU 138 Ca 0.33 1.64 0.12 0.00 -0.22 0.00 0.00 54.13 56.00 1ddm s LEU 138 Cb -0.13 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.85 1ddm s LEU 138 CO 0.24 -0.71 0.37 2.30 -1.32 0.00 0.00 176.35 177.23 1ddm n ILE 139 N 5.24 0.00 -3.74 6.68 -5.35 -0.84 -4.84 119.36 116.50 1ddm n ILE 139 Ca 0.13 -0.26 -0.30 0.00 -0.27 0.00 0.00 62.75 62.05 1ddm n ILE 139 Cb 0.45 0.53 -0.14 0.00 -1.74 0.00 0.00 39.64 38.74 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 -2.58 1.25 -0.82 7.28 1.01 -1.25 -4.94 120.40 120.34 1ddm s VAL 140 Ca -0.01 -2.07 0.14 0.00 0.00 0.00 0.00 61.98 60.04 1ddm s VAL 140 Cb 0.09 -1.91 0.65 0.00 0.00 0.00 0.00 36.38 35.21 1ddm s VAL 140 CO 0.51 -0.78 1.52 0.47 0.00 0.00 0.00 175.10 176.82 1ddm n ASP 141 N 4.13 4.52 -2.87 3.32 9.92 -1.26 -3.51 116.55 130.79 1ddm n ASP 141 Ca 0.04 -2.56 -0.12 0.00 -0.53 0.00 0.00 54.79 51.62 1ddm n ASP 141 Cb 0.38 -0.59 0.09 0.00 -0.64 0.00 0.00 41.12 40.36 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ddm n GLN 142 N 0.75 -1.50 -4.01 -1.24 1.13 -1.26 -5.02 117.38 106.22 1ddm n GLN 142 Ca 0.23 -0.72 -0.08 0.00 -1.94 0.00 0.00 57.00 54.49 1ddm n GLN 142 Cb 0.90 -0.61 -0.09 0.00 0.11 0.00 0.00 30.24 30.55 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 -1.87 0.18 0.08 5.09 2.01 -1.26 -3.88 115.64 115.98 1ddm s THR 143 Ca 0.28 -1.60 -0.32 0.00 0.31 0.00 0.00 61.69 60.37 1ddm s THR 143 Cb -0.02 -1.51 -0.18 0.00 0.01 0.00 0.00 72.50 70.80 1ddm s THR 143 CO 0.21 -0.82 1.63 0.40 -0.69 0.00 0.00 174.62 175.35 1ddm h ILE 144 N 2.98 0.36 0.00 1.82 2.04 -1.88 -0.90 117.51 121.93 1ddm h ILE 144 Ca -0.34 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1ddm h ILE 144 Cb 1.17 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1ddm h ILE 144 CO 0.62 0.00 0.00 1.05 0.00 0.00 0.00 178.15 179.82 1ddm h GLU 145 N -0.83 0.00 0.39 2.37 4.11 -1.96 -3.20 114.58 115.45 1ddm h GLU 145 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1ddm h GLU 145 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1ddm h GLU 145 CO 0.11 0.00 -0.19 -0.22 0.07 0.00 0.00 179.01 178.78 1ddm h LYS 146 N 0.00 -0.50 -6.94 1.06 3.64 -1.80 -3.45 116.57 108.58 1ddm h LYS 146 Ca 0.00 0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.88 1ddm h LYS 146 Cb 0.39 0.11 0.10 0.00 -0.41 0.00 0.00 32.23 32.43 1ddm h LYS 146 CO 0.00 -0.33 0.76 0.14 -2.27 0.00 0.00 179.45 177.75 1ddm s VAL 147 N -3.28 2.13 0.03 2.00 -7.23 -0.40 -4.85 120.40 108.80 1ddm s VAL 147 Ca -0.08 0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.16 1ddm s VAL 147 Cb 0.01 -3.08 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 1ddm s VAL 147 CO 0.23 0.03 1.12 -1.28 -0.31 0.00 0.00 175.10 174.89 1ddm h SER 148 N 3.04 -0.42 -3.28 4.85 0.87 -1.00 -3.46 113.55 114.15 1ddm h SER 148 Ca -0.51 0.06 0.09 0.00 -1.23 0.00 0.00 61.79 60.20 1ddm h SER 148 Cb 1.24 0.18 -0.26 0.00 -0.44 0.00 0.00 62.40 63.11 1ddm h SER 148 CO 0.64 -0.07 0.54 0.72 -0.53 0.00 0.00 176.83 178.13 1ddm s PHE 149 N -3.55 -0.39 0.92 2.24 -0.12 -1.25 -5.05 117.98 110.78 1ddm s PHE 149 Ca -0.03 0.88 -0.12 0.00 -0.05 0.00 0.00 56.93 57.62 1ddm s PHE 149 Cb 0.02 0.40 0.14 0.00 -0.63 0.00 0.00 43.02 42.95 1ddm s PHE 149 CO 0.13 -0.22 1.09 0.00 -0.05 0.00 0.00 175.22 176.17 1ddm s ALA 151 N -2.88 -2.32 0.00 0.00 0.00 -1.09 -4.85 121.76 110.62 1ddm s ALA 151 Ca 0.64 2.21 0.00 0.00 0.00 0.00 0.00 51.96 54.81 1ddm s ALA 151 Cb -0.19 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1ddm s ALA 151 CO 0.58 -0.67 0.00 -0.35 0.00 0.00 0.00 175.76 175.31 1ddm n PRO 152 N 4.57 2.60 -0.68 0.00 -0.04 -1.26 -2.80 135.00 137.38 1ddm n PRO 152 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1ddm n PRO 152 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1ddm n PRO 152 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ddm n ASP 153 N 0.00 0.97 0.00 3.54 5.68 -1.26 -4.14 116.55 121.34 1ddm n ASP 153 Ca 0.00 -0.34 0.00 0.00 -0.50 0.00 0.00 54.79 53.95 1ddm n ASP 153 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1ddm n ASP 153 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ddm n ARG 154 N 0.00 4.29 -0.07 0.11 1.74 -1.26 -4.91 116.66 116.55 1ddm n ARG 154 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1ddm n ARG 154 Cb 0.00 -0.58 -0.02 0.00 -1.02 0.00 0.00 32.46 30.84 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 -0.36 1.82 -3.69 0.55 5.15 -1.26 -5.00 115.26 112.46 1ddm n ASN 155 Ca 0.00 0.62 -0.10 0.00 -0.60 0.00 0.00 54.58 54.49 1ddm n ASN 155 Cb 0.00 -0.87 -0.11 0.00 -0.53 0.00 0.00 39.78 38.27 1ddm n ASN 155 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1ddm s HIS 156 N -2.28 -0.61 -1.05 1.20 2.46 -1.26 -5.07 115.29 108.68 1ddm s HIS 156 Ca -0.16 1.30 -0.21 0.00 0.47 0.00 0.00 55.06 56.46 1ddm s HIS 156 Cb 0.02 0.27 -0.09 0.00 -0.13 0.00 0.00 32.58 32.66 1ddm s HIS 156 CO 0.24 -0.35 1.94 0.39 -2.47 0.00 0.00 174.74 174.49 1ddm n GLU 157 N 4.29 1.89 0.00 2.88 1.02 -1.26 -4.02 120.64 125.44 1ddm n GLU 157 Ca -0.23 -2.31 0.00 0.00 -0.02 0.00 0.00 57.16 54.60 1ddm n GLU 157 Cb 0.55 -3.31 0.00 0.00 -0.02 0.00 0.00 31.44 28.67 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 7.50 0.95 -3.53 3.49 5.12 -1.26 -3.76 116.66 125.18 1ddm n ARG 158 Ca 0.48 -0.09 -0.13 0.00 -1.93 0.00 0.00 57.85 56.19 1ddm n ARG 158 Cb 0.43 -0.43 -0.11 0.00 -1.16 0.00 0.00 32.46 31.19 1ddm n ARG 158 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ddm s GLY 159 N -0.16 -0.20 0.44 -0.13 0.00 -1.26 -2.26 107.32 103.75 1ddm s GLY 159 Ca 0.00 0.83 0.07 0.00 0.00 0.00 0.00 44.72 45.63 1ddm s GLY 159 CO 0.00 2.26 0.37 -1.36 0.00 0.00 0.00 173.10 174.37 1ddm s PHE 160 N 2.46 2.50 -0.04 1.90 0.08 -0.59 -4.42 117.98 119.87 1ddm s PHE 160 Ca 0.05 -0.56 -0.29 0.00 0.12 0.00 0.00 56.93 56.25 1ddm s PHE 160 Cb -0.14 -2.11 0.10 0.00 -0.57 0.00 0.00 43.02 40.30 1ddm s PHE 160 CO -0.12 -0.17 0.84 -1.54 -0.10 0.00 0.00 175.22 174.13 1ddm s SER 161 N -4.14 -0.46 0.17 1.36 1.04 -1.12 -1.49 113.70 109.05 1ddm s SER 161 Ca 0.46 0.30 0.05 0.00 0.48 0.00 0.00 55.95 57.23 1ddm s SER 161 Cb -0.02 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1ddm s SER 161 CO 0.27 -0.57 -0.10 -0.72 0.98 0.00 0.00 173.24 173.09 1ddm s TYR 162 N -2.11 1.38 0.16 5.02 -0.85 -0.83 -2.66 117.35 117.46 1ddm s TYR 162 Ca -0.01 -0.73 0.11 0.00 -0.52 0.00 0.00 57.07 55.92 1ddm s TYR 162 Cb -0.01 -0.69 -0.04 0.00 0.38 0.00 0.00 41.96 41.60 1ddm s TYR 162 CO -0.02 0.13 -0.24 0.42 -1.52 0.00 0.00 175.55 174.32 1ddm s ILE 163 N -3.26 2.38 -0.17 -3.49 1.09 -1.25 -1.45 121.20 115.06 1ddm s ILE 163 Ca 0.19 -1.85 -0.05 0.00 -1.10 0.00 0.00 60.65 57.83 1ddm s ILE 163 Cb 0.02 -2.10 0.06 0.00 -1.06 0.00 0.00 42.46 39.39 1ddm s ILE 163 CO 0.02 -0.00 0.10 0.00 -0.10 0.00 0.00 174.94 174.96 1ddm s ARG 165 N 2.16 3.25 1.79 0.00 3.52 -1.26 -3.72 118.95 124.69 1ddm s ARG 165 Ca 0.03 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 1ddm s ARG 165 Cb -0.16 -4.40 0.00 0.00 -1.56 0.00 0.00 34.95 28.83 1ddm s ARG 165 CO -0.09 -2.02 0.00 -0.25 -0.81 0.00 0.00 175.30 172.13 1ddm n ASP 166 N 8.56 -1.79 0.00 -2.12 8.00 0.43 -4.81 116.55 124.81 1ddm n ASP 166 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1ddm n ASP 166 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 1.02 0.00 0.44 0.00 -1.26 -3.96 105.19 101.42 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 -2.39 1.09 -1.04 -1.25 -5.02 114.28 105.66 1ddm n THR 169 Ca 0.00 -0.10 -0.19 0.00 -2.04 0.00 0.00 64.05 61.71 1ddm n THR 169 Cb 0.01 0.55 -0.01 0.00 -1.82 0.00 0.00 70.33 69.06 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 -0.69 -1.78 -1.43 -2.82 1.74 -1.26 -4.85 116.66 105.56 1ddm n ARG 170 Ca 0.00 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 1ddm n ARG 170 Cb 0.00 -5.60 0.00 0.00 -1.02 0.00 0.00 32.46 25.84 1ddm n ARG 170 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1ddm n ARG 171 N -2.97 0.00 -3.34 5.56 1.85 -1.26 -4.90 116.66 111.60 1ddm n ARG 171 Ca -0.23 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.17 1ddm n ARG 171 Cb 0.67 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 32.03 1ddm n ARG 171 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 1ddm s TRP 172 N -2.35 3.29 0.02 2.89 -2.14 -1.26 -0.43 118.94 118.96 1ddm s TRP 172 Ca 0.00 -1.39 0.01 0.00 2.66 0.00 0.00 56.10 57.38 1ddm s TRP 172 Cb 0.00 -3.77 -0.02 0.00 -3.10 0.00 0.00 33.47 26.59 1ddm s TRP 172 CO 0.00 -1.02 -0.04 -1.64 -2.66 0.00 0.00 176.95 171.60 1ddm s MET 173 N 1.50 0.30 0.06 3.25 -1.94 -1.24 -2.46 119.30 118.77 1ddm s MET 173 Ca 0.04 -0.48 0.05 0.00 -1.71 0.00 0.00 55.69 53.59 1ddm s MET 173 Cb -0.29 -0.04 -0.03 0.00 2.01 0.00 0.00 34.83 36.48 1ddm s MET 173 CO 0.02 -0.00 -0.14 0.00 -0.01 0.00 0.00 175.02 174.88 1ddm s HIS 175 N -1.12 3.11 0.22 0.00 3.76 -0.52 -2.29 115.29 118.45 1ddm s HIS 175 Ca -0.00 0.09 0.11 0.00 -0.15 0.00 0.00 55.06 55.11 1ddm s HIS 175 Cb -0.09 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.89 1ddm s HIS 175 CO 0.02 0.48 -0.21 0.20 -0.85 0.00 0.00 174.74 174.39 1ddm s GLY 176 N -1.73 1.71 0.22 -2.22 0.00 -1.26 -1.97 107.32 102.07 1ddm s GLY 176 Ca 0.21 -1.71 -0.22 0.00 0.00 0.00 0.00 44.72 43.01 1ddm s GLY 176 CO 0.13 -1.77 0.95 -0.11 0.00 0.00 0.00 173.10 172.30 1ddm s PHE 177 N -2.16 0.01 0.10 1.90 -0.71 -0.56 -2.22 117.98 114.34 1ddm s PHE 177 Ca 0.24 -0.43 0.02 0.00 -1.04 0.00 0.00 56.93 55.72 1ddm s PHE 177 Cb -0.06 0.71 -0.01 0.00 -1.21 0.00 0.00 43.02 42.45 1ddm s PHE 177 CO 0.11 -1.03 0.08 1.28 -1.34 0.00 0.00 175.22 174.32 1ddm n LEU 178 N -0.59 0.00 -4.33 -1.99 4.32 -0.96 -1.54 117.00 111.91 1ddm n LEU 178 Ca -0.05 -0.93 -0.33 0.00 -0.02 0.00 0.00 56.01 54.69 1ddm n LEU 178 Cb 0.60 0.49 -0.15 0.00 -1.62 0.00 0.00 43.42 42.74 1ddm n LEU 178 CO 0.19 -0.15 -0.48 0.00 -1.22 0.00 0.00 177.39 175.73 1ddm s ALA 179 N -2.40 2.49 0.35 -1.18 0.00 -0.96 -1.70 121.76 118.36 1ddm s ALA 179 Ca 0.12 -0.92 0.18 0.00 0.00 0.00 0.00 51.96 51.34 1ddm s ALA 179 Cb 0.01 -1.08 0.93 0.00 0.00 0.00 0.00 23.12 22.98 1ddm s ALA 179 CO 0.08 0.28 1.89 0.00 0.00 0.00 0.00 175.76 178.01 1ddm h LYS 181 N 0.00 0.35 -5.27 0.00 1.57 -1.95 -3.50 116.57 107.77 1ddm h LYS 181 Ca -0.00 -0.60 -0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1ddm h LYS 181 Cb 0.59 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1ddm h LYS 181 CO 0.04 1.29 -1.00 -0.25 -0.57 0.00 0.00 179.45 178.96 1ddm n ASP 182 N -3.84 -7.91 0.00 0.86 8.00 -1.18 -4.99 116.55 107.50 1ddm n ASP 182 Ca -0.21 1.33 0.00 0.00 0.71 0.00 0.00 54.79 56.62 1ddm n ASP 182 Cb 0.97 -4.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.11 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 0.77 0.00 0.00 -2.24 2.88 -1.26 -5.02 113.62 108.74 1ddm n SER 183 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddm n SER 183 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.22 0.73 0.08 0.46 0.00 -1.25 -4.85 105.19 100.15 1ddm n GLY 184 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1ddm n GLY 184 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ddm n GLU 185 N -2.44 1.08 -0.00 1.61 1.02 -1.26 -3.96 120.64 116.68 1ddm n GLU 185 Ca 0.00 -1.12 0.02 0.00 -0.02 0.00 0.00 57.16 56.04 1ddm n GLU 185 Cb 0.00 -0.77 -0.03 0.00 -0.02 0.00 0.00 31.44 30.62 1ddm n GLU 185 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ddm n ARG 186 N -0.32 5.23 0.00 3.49 -4.01 -1.26 -4.82 116.66 114.97 1ddm n ARG 186 Ca 0.02 -0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.83 1ddm n ARG 186 Cb 0.47 -0.75 0.00 0.00 -3.04 0.00 0.00 32.46 29.14 1ddm n ARG 186 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1ddm n LEU 187 N -1.13 0.00 0.08 2.89 4.32 -1.26 -3.68 117.00 118.22 1ddm n LEU 187 Ca 0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.89 1ddm n LEU 187 Cb 0.08 0.13 -0.06 0.00 -1.62 0.00 0.00 43.42 41.94 1ddm n LEU 187 CO 0.10 -0.30 0.51 -1.28 -1.22 0.00 0.00 177.39 175.20 1ddm h SER 188 N 0.00 -1.04 0.00 -1.43 0.87 -1.90 -0.19 113.55 109.86 1ddm h SER 188 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1ddm h SER 188 Cb 0.00 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1ddm h SER 188 CO 0.00 -0.37 0.00 1.41 -0.53 0.00 0.00 176.83 177.34 1ddm n HIS 189 N -4.41 0.00 -0.12 2.24 8.25 -1.25 -2.83 115.22 117.09 1ddm n HIS 189 Ca -0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.19 1ddm n HIS 189 Cb 0.27 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.30 1ddm n HIS 189 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ddm n ALA 190 N -0.75 0.99 0.32 -1.41 0.00 -0.24 -4.40 120.51 115.03 1ddm n ALA 190 Ca 0.07 -0.88 0.16 0.00 0.00 0.00 0.00 53.44 52.79 1ddm n ALA 190 Cb 0.03 -0.02 0.63 0.00 0.00 0.00 0.00 19.45 20.10 1ddm n ALA 190 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1ddm h VAL 191 N -1.00 0.00 0.00 0.00 3.04 -1.12 -2.58 116.25 114.59 1ddm h VAL 191 Ca -0.43 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 1ddm h VAL 191 Cb 1.33 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.95 1ddm h VAL 191 CO -0.26 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 176.91 1ddm n GLY 192 N 0.02 -0.69 0.04 3.17 0.00 -1.13 -2.11 105.19 104.49 1ddm n GLY 192 Ca 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 0.36 -0.24 0.00 0.00 0.00 -1.51 -2.93 119.26 114.93 1ddm h ALA 194 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1ddm h ALA 194 Cb 0.07 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ddm h ALA 194 CO 0.00 -0.49 -0.11 0.27 0.00 0.00 0.00 179.25 178.92 1ddm h PHE 195 N -0.55 0.00 0.00 0.00 -5.15 -1.85 -1.71 116.94 107.68 1ddm h PHE 195 Ca -0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.74 1ddm h PHE 195 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.58 1ddm h PHE 195 CO 0.02 0.11 0.00 0.00 -2.00 0.00 0.00 178.31 176.45 1ddm n ALA 196 N -2.26 1.51 0.63 12.09 0.00 -1.11 -1.46 120.51 129.92 1ddm n ALA 196 Ca -0.02 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1ddm n ALA 196 Cb 0.25 -1.16 -0.12 0.00 0.00 0.00 0.00 19.45 18.41 1ddm n ALA 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ddm n VAL 197 N -1.44 0.00 0.27 0.00 0.31 -0.64 -4.22 118.33 112.61 1ddm n VAL 197 Ca 0.03 -0.17 0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1ddm n VAL 197 Cb 0.11 0.72 0.10 0.00 -0.91 0.00 0.00 33.84 33.86 1ddm n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddm h LEU 199 N 2.53 0.06 -2.60 0.00 3.38 -1.60 -3.34 115.31 113.74 1ddm h LEU 199 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1ddm h LEU 199 Cb 0.64 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1ddm h LEU 199 CO 0.00 1.45 0.00 -0.08 0.09 0.00 0.00 178.44 179.90 1ddm h GLU 200 N -0.88 0.00 -0.02 1.13 4.22 -1.80 -3.52 114.58 113.71 1ddm h GLU 200 Ca -0.30 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.14 1ddm h GLU 200 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1ddm h GLU 200 CO -0.14 0.00 0.00 -2.13 -2.18 0.00 0.00 179.01 174.56