#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 0.35 0.00 -0.41 4.15 -2.05 -3.34 115.11 113.81 1ddm h GLN 68 Ca 0.00 -0.60 -0.08 0.00 0.77 0.00 0.00 58.65 58.74 1ddm h GLN 68 Cb 0.00 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1ddm h GLN 68 CO 0.00 1.25 -0.40 -1.49 -1.93 0.00 0.00 178.83 176.25 1ddm h TRP 69 N 0.10 0.00 0.00 3.99 4.06 -2.04 -1.58 115.95 120.48 1ddm h TRP 69 Ca -0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.64 1ddm h TRP 69 Cb 2.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.24 1ddm h TRP 69 CO 0.09 0.40 0.00 1.04 -3.56 0.00 0.00 178.44 176.41 1ddm n GLN 70 N -3.54 0.50 0.00 0.49 1.13 -1.25 -1.61 117.38 113.10 1ddm n GLN 70 Ca -0.00 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1ddm n GLN 70 Cb 0.53 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.38 1ddm n GLN 70 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddm n ALA 71 N -1.14 1.32 -0.10 -1.58 0.00 -1.02 -4.44 120.51 113.54 1ddm n ALA 71 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.35 1ddm n ALA 71 Cb 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.71 1.99 0.01 0.00 9.92 -0.62 -3.76 116.55 123.38 1ddm n ASP 72 Ca 0.00 0.11 -0.18 0.00 -0.53 0.00 0.00 54.79 54.19 1ddm n ASP 72 Cb 0.00 -0.66 -0.14 0.00 -0.64 0.00 0.00 41.12 39.68 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 -0.36 0.19 0.00 -1.24 4.57 -1.56 -3.30 114.58 112.89 1ddm h GLU 73 Ca -0.56 -0.33 -0.02 0.00 -1.18 0.00 0.00 59.36 57.27 1ddm h GLU 73 Cb 1.79 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 30.50 1ddm h GLU 73 CO -0.16 1.16 -0.09 1.49 -1.18 0.00 0.00 179.01 180.23 1ddm h GLU 74 N -0.59 0.00 0.02 1.92 4.81 -1.78 -3.02 114.58 115.94 1ddm h GLU 74 Ca -0.10 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1ddm h GLU 74 Cb 1.43 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.78 1ddm h GLU 74 CO 0.09 0.09 -0.18 0.00 -0.73 0.00 0.00 179.01 178.28 1ddm h ALA 75 N 1.91 -0.24 -0.58 2.92 0.00 -1.65 -0.93 119.26 120.70 1ddm h ALA 75 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ddm h ALA 75 Cb 0.34 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1ddm h ALA 75 CO 0.01 -0.68 0.26 0.28 0.00 0.00 0.00 179.25 179.12 1ddm h VAL 76 N -0.30 1.22 -0.79 0.00 2.07 -1.68 -2.04 116.25 114.73 1ddm h VAL 76 Ca 0.05 -0.64 0.15 0.00 0.82 0.00 0.00 66.70 67.08 1ddm h VAL 76 Cb 0.37 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1ddm h VAL 76 CO -0.16 0.25 0.52 0.03 0.02 0.00 0.00 177.57 178.24 1ddm h ARG 77 N 0.80 0.47 0.00 1.57 3.08 -1.44 -0.71 114.38 118.14 1ddm h ARG 77 Ca 0.20 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ddm h ARG 77 Cb 0.16 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1ddm h ARG 77 CO -0.02 0.31 0.00 0.43 -1.07 0.00 0.00 179.97 179.62 1ddm n SER 78 N -4.50 0.00 0.00 7.04 7.64 -0.39 -4.79 113.62 118.62 1ddm n SER 78 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1ddm n SER 78 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 -3.15 -0.43 0.00 -0.83 -4.47 120.51 108.63 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 -0.48 0.00 0.00 -1.32 -0.96 -4.40 115.64 108.48 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 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 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 -2.64 -0.91 0.00 2.88 -1.26 -2.63 113.62 109.07 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 -0.41 -0.83 -1.39 0.66 3.72 -1.04 -4.86 117.46 113.31 1ddm n PHE 83 Ca 0.00 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 1ddm n PHE 83 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.06 -1.58 -1.15 4.37 7.64 -1.26 -1.05 113.62 119.53 1ddm n SER 84 Ca 0.00 0.95 -0.01 0.00 1.01 0.00 0.00 58.87 60.82 1ddm n SER 84 Cb 0.00 -1.00 -0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 -0.63 0.00 -3.00 0.44 0.24 -0.98 -2.79 118.33 111.60 1ddm n VAL 85 Ca 0.13 -0.14 -0.15 0.00 -2.04 0.00 0.00 64.34 62.14 1ddm n VAL 85 Cb 0.35 0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.04 0.57 -1.55 7.34 4.81 0.17 -4.24 118.16 125.23 1ddm n LYS 86 Ca 0.00 -2.49 -0.31 0.00 -0.87 0.00 0.00 58.31 54.64 1ddm n LYS 86 Cb 0.03 -1.45 -0.05 0.00 0.02 0.00 0.00 35.03 33.58 1ddm n LYS 86 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1ddm n TYR 87 N 2.19 1.30 0.04 5.64 9.36 -1.22 -3.38 117.16 131.10 1ddm n TYR 87 Ca 0.19 0.10 0.01 0.00 3.32 0.00 0.00 57.90 61.52 1ddm n TYR 87 Cb 0.55 -2.59 0.33 0.00 -0.63 0.00 0.00 39.34 37.00 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 19.76 0.40 0.00 2.98 4.07 -1.76 -1.14 115.31 139.62 1ddm h LEU 88 Ca -0.18 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1ddm h LEU 88 Cb 1.21 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1ddm h LEU 88 CO 1.15 0.50 0.00 0.61 -1.08 0.00 0.00 178.44 179.62 1ddm n GLY 89 N -0.86 0.24 2.85 0.83 0.00 -1.25 -3.49 105.19 103.51 1ddm n GLY 89 Ca 0.01 -1.31 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 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 0.95 1.81 0.24 0.00 -7.23 -0.97 -5.02 120.40 110.18 1ddm s VAL 91 Ca -0.11 -1.76 -0.20 0.00 -1.81 0.00 0.00 61.98 58.09 1ddm s VAL 91 Cb -0.14 -1.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 1ddm s VAL 91 CO -0.01 -0.19 0.76 -1.61 -0.31 0.00 0.00 175.10 173.74 1ddm s GLU 92 N -2.40 4.30 0.10 4.82 8.01 -1.26 -1.72 118.70 130.54 1ddm s GLU 92 Ca 0.12 0.93 0.01 0.00 0.01 0.00 0.00 54.97 56.04 1ddm s GLU 92 Cb -0.08 -2.85 -0.00 0.00 -4.31 0.00 0.00 34.13 26.89 1ddm s GLU 92 CO 0.06 0.37 0.03 1.33 0.01 0.00 0.00 175.26 177.06 1ddm n VAL 93 N 0.66 0.00 -2.95 2.63 0.24 -0.87 -4.89 118.33 113.15 1ddm n VAL 93 Ca -0.01 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 61.59 1ddm n VAL 93 Cb 0.51 0.19 0.03 0.00 -1.47 0.00 0.00 33.84 33.10 1ddm n VAL 93 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1ddm n PHE 94 N -0.22 -1.34 0.00 6.34 7.35 -1.26 -4.68 117.46 123.64 1ddm n PHE 94 Ca -0.02 -2.96 0.00 0.00 -0.76 0.00 0.00 57.45 53.71 1ddm n PHE 94 Cb 0.14 0.61 0.00 0.00 0.35 0.00 0.00 39.48 40.58 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 0.31 0.00 -1.97 -4.13 -0.58 -1.26 -5.02 120.64 107.99 1ddm n GLU 95 Ca 0.15 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.69 1ddm n GLU 95 Cb 0.68 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.50 1ddm n GLU 95 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ddm n SER 96 N -1.12 -5.55 -2.34 1.62 7.64 -1.26 -4.85 113.62 107.76 1ddm n SER 96 Ca 0.00 0.25 -0.03 0.00 1.01 0.00 0.00 58.87 60.10 1ddm n SER 96 Cb 0.00 -4.69 0.05 0.00 -1.01 0.00 0.00 64.21 58.55 1ddm n SER 96 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1ddm n ARG 97 N -2.66 1.70 -3.48 1.43 1.85 -1.26 -4.83 116.66 109.41 1ddm n ARG 97 Ca -0.22 -3.32 -0.11 0.00 -1.00 0.00 0.00 57.85 53.20 1ddm n ARG 97 Cb 0.67 -1.41 -0.02 0.00 -1.05 0.00 0.00 32.46 30.64 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 -3.41 -0.55 -0.00 2.89 0.00 -1.26 -5.06 107.32 99.93 1ddm s GLY 98 Ca 0.33 0.40 -0.07 0.00 0.00 0.00 0.00 44.72 45.38 1ddm s GLY 98 CO -0.05 0.13 0.84 1.98 0.00 0.00 0.00 173.10 176.00 1ddm h MET 99 N 2.00 0.32 0.00 2.90 4.05 -1.94 -3.29 114.93 118.97 1ddm h MET 99 Ca -0.32 -0.55 0.00 0.00 -0.28 0.00 0.00 59.70 58.55 1ddm h MET 99 Cb 1.30 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 32.31 1ddm h MET 99 CO 0.36 1.21 0.00 0.00 0.23 0.00 0.00 176.91 178.71 1ddm n GLN 100 N -3.52 0.01 -0.18 0.39 10.64 -1.26 -2.90 117.38 120.56 1ddm n GLN 100 Ca -0.18 0.23 0.01 0.00 -1.83 0.00 0.00 57.00 55.24 1ddm n GLN 100 Cb 1.06 -1.50 0.28 0.00 -0.86 0.00 0.00 30.24 29.22 1ddm n GLN 100 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1ddm h VAL 101 N 0.00 1.17 0.00 -0.39 2.07 -1.98 -1.48 116.25 115.64 1ddm h VAL 101 Ca 0.00 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1ddm h VAL 101 Cb 0.25 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1ddm h VAL 101 CO 0.00 0.17 -0.44 0.00 0.02 0.00 0.00 177.57 177.32 1ddm n GLU 103 N -3.24 0.13 -0.06 0.00 2.13 -0.57 -2.17 120.64 116.87 1ddm n GLU 103 Ca 0.02 0.16 -0.12 0.00 0.66 0.00 0.00 57.16 57.88 1ddm n GLU 103 Cb 0.69 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.86 1ddm n GLU 103 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ddm n GLU 104 N -1.39 0.24 -0.31 5.31 -0.58 -1.14 -4.47 120.64 118.31 1ddm n GLU 104 Ca 0.06 0.11 0.01 0.00 -0.42 0.00 0.00 57.16 56.91 1ddm n GLU 104 Cb 0.17 -0.91 0.14 0.00 -0.57 0.00 0.00 31.44 30.26 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 -0.41 1.16 -0.76 0.62 0.00 -1.52 -1.01 119.26 117.36 1ddm h ALA 105 Ca -0.29 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1ddm h ALA 105 Cb 1.26 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1ddm h ALA 105 CO -0.18 0.27 0.50 1.25 0.00 0.00 0.00 179.25 181.09 1ddm h LEU 106 N 0.96 0.76 -0.68 0.00 5.85 -1.70 -1.40 115.31 119.10 1ddm h LEU 106 Ca 0.37 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.98 1ddm h LEU 106 Cb 0.16 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ddm h LEU 106 CO -0.17 0.51 -0.17 0.50 -0.34 0.00 0.00 178.44 178.76 1ddm h LYS 107 N 0.87 0.84 -0.32 1.25 1.63 -1.43 -2.16 116.57 117.25 1ddm h LYS 107 Ca 0.31 -0.32 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1ddm h LYS 107 Cb 0.14 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1ddm h LYS 107 CO -0.10 0.95 0.17 0.28 -3.45 0.00 0.00 179.45 177.31 1ddm h VAL 108 N 0.74 1.10 0.00 2.00 2.07 -0.66 -0.06 116.25 121.44 1ddm h VAL 108 Ca 0.11 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 1ddm h VAL 108 Cb 0.70 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1ddm h VAL 108 CO 0.05 0.11 -0.60 -0.07 0.02 0.00 0.00 177.57 177.08 1ddm h LEU 109 N 0.44 0.00 -0.00 2.57 3.38 -1.09 -2.70 115.31 117.90 1ddm h LEU 109 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ddm h LEU 109 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ddm h LEU 109 CO -0.02 0.60 -0.10 0.03 0.09 0.00 0.00 178.44 179.04 1ddm h ARG 110 N 0.00 0.00 -0.11 1.13 3.08 -0.55 -3.13 114.38 114.80 1ddm h ARG 110 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ddm h ARG 110 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1ddm h ARG 110 CO 0.08 0.10 0.00 1.04 -1.07 0.00 0.00 179.97 180.12 1ddm n GLN 111 N -3.13 2.27 -4.33 0.04 6.02 -0.17 -4.96 117.38 113.13 1ddm n GLN 111 Ca 0.04 -1.87 -0.18 0.00 -0.01 0.00 0.00 57.00 54.98 1ddm n GLN 111 Cb 0.57 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 30.26 1ddm n GLN 111 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ddm s SER 112 N -1.88 1.36 -0.87 1.08 0.15 -1.03 -5.06 113.70 107.45 1ddm s SER 112 Ca 0.32 -1.46 -0.00 0.00 0.70 0.00 0.00 55.95 55.50 1ddm s SER 112 Cb 0.21 0.27 0.25 0.00 -1.71 0.00 0.00 66.02 65.04 1ddm s SER 112 CO 0.31 -0.80 0.94 -2.11 1.20 0.00 0.00 173.24 172.78 1ddm n ARG 113 N -0.52 3.05 -0.66 5.44 0.00 -1.26 -4.83 116.66 117.87 1ddm n ARG 113 Ca 0.00 -4.55 -0.11 0.00 -0.00 0.00 0.00 57.85 53.19 1ddm n ARG 113 Cb 0.66 -2.39 0.04 0.00 -0.00 0.00 0.00 32.46 30.76 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 1.66 1.53 -2.86 2.89 5.12 -1.24 -4.88 116.66 118.88 1ddm n ARG 114 Ca 0.25 -1.10 -0.04 0.00 -1.93 0.00 0.00 57.85 55.03 1ddm n ARG 114 Cb 0.37 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 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 0.42 -2.73 -2.45 5.56 3.00 -1.23 -3.92 116.66 115.31 1ddm n ARG 115 Ca 0.21 2.30 -0.43 0.00 -0.01 0.00 0.00 57.85 59.93 1ddm n ARG 115 Cb 0.67 -4.68 -0.02 0.00 0.00 0.00 0.00 32.46 28.43 1ddm n ARG 115 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1ddm s PRO 116 N -1.82 4.01 0.24 5.56 0.02 -1.24 -4.43 135.00 137.35 1ddm s PRO 116 Ca 0.08 1.33 -0.19 0.00 0.02 0.00 0.00 61.00 62.23 1ddm s PRO 116 Cb -0.02 -3.83 -0.08 0.00 0.02 0.00 0.00 34.50 30.58 1ddm s PRO 116 CO 0.68 -1.00 0.74 0.08 -0.33 0.00 0.00 177.00 177.17 1ddm s VAL 117 N 4.08 4.57 -0.47 3.83 1.01 -0.43 -4.94 120.40 128.06 1ddm s VAL 117 Ca 0.55 1.25 -0.12 0.00 0.00 0.00 0.00 61.98 63.66 1ddm s VAL 117 Cb -0.17 -3.82 0.10 0.00 0.00 0.00 0.00 36.38 32.48 1ddm s VAL 117 CO 0.20 0.14 0.35 -0.13 0.00 0.00 0.00 175.10 175.66 1ddm s ARG 118 N -2.15 2.71 0.00 2.72 0.52 -1.26 -3.43 118.95 118.06 1ddm s ARG 118 Ca 0.45 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 1ddm s ARG 118 Cb -0.16 -3.98 0.00 0.00 0.52 0.00 0.00 34.95 31.33 1ddm s ARG 118 CO 0.20 -1.11 0.00 0.41 0.02 0.00 0.00 175.30 174.83 1ddm n GLY 119 N 5.03 3.68 3.69 -3.53 0.00 -1.26 -1.02 105.19 111.77 1ddm n GLY 119 Ca -0.11 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 0.08 -0.06 0.99 0.05 -0.22 -2.33 118.68 117.20 1ddm s LEU 120 Ca 0.00 -0.77 0.02 0.00 0.05 0.00 0.00 54.13 53.43 1ddm s LEU 120 Cb 0.00 2.16 -0.03 0.00 -2.05 0.00 0.00 46.19 46.27 1ddm s LEU 120 CO 0.00 -1.21 -0.10 -0.22 -0.55 0.00 0.00 176.35 174.27 1ddm s LEU 121 N -2.97 2.98 -0.59 1.48 2.96 -0.21 -1.50 118.68 120.84 1ddm s LEU 121 Ca 0.17 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1ddm s LEU 121 Cb -0.03 -1.64 0.15 0.00 0.50 0.00 0.00 46.19 45.17 1ddm s LEU 121 CO 0.07 0.35 0.36 -1.00 -1.32 0.00 0.00 176.35 174.81 1ddm s HIS 122 N -0.79 3.17 -0.69 5.38 3.76 -0.05 -2.50 115.29 123.58 1ddm s HIS 122 Ca 0.12 -3.15 -0.26 0.00 -0.15 0.00 0.00 55.06 51.62 1ddm s HIS 122 Cb -0.11 -2.63 -0.11 0.00 1.11 0.00 0.00 32.58 30.84 1ddm s HIS 122 CO 0.01 -0.67 2.40 0.08 -0.85 0.00 0.00 174.74 175.72 1ddm s VAL 123 N -0.71 3.02 0.15 -0.90 1.01 -1.08 -3.04 120.40 118.85 1ddm s VAL 123 Ca 0.21 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 1ddm s VAL 123 Cb -0.16 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 1ddm s VAL 123 CO -0.07 -0.04 0.66 -0.55 0.00 0.00 0.00 175.10 175.10 1ddm s SER 124 N 11.27 7.11 0.00 3.32 0.15 -1.26 -2.14 113.70 132.15 1ddm s SER 124 Ca 0.94 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.97 1ddm s SER 124 Cb -0.14 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1ddm s SER 124 CO 0.14 0.16 0.53 0.61 1.20 0.00 0.00 173.24 175.89 1ddm n GLY 125 N 1.26 1.33 0.97 9.45 0.00 -0.27 -2.63 105.19 115.30 1ddm n GLY 125 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 0.28 -0.42 0.00 1.61 2.03 -1.26 -4.83 116.55 113.95 1ddm n ASP 126 Ca 0.00 -1.81 0.00 0.00 0.52 0.00 0.00 54.79 53.50 1ddm n ASP 126 Cb 0.27 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 0.08 2.94 3.66 0.27 0.00 -1.08 -4.82 105.19 106.24 1ddm n GLY 127 Ca -0.16 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1ddm n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddm n LEU 128 N 0.00 3.26 -3.53 0.99 4.77 -1.25 -4.06 117.00 117.18 1ddm n LEU 128 Ca 0.00 0.44 -0.06 0.00 -0.03 0.00 0.00 56.01 56.36 1ddm n LEU 128 Cb 0.00 -1.47 -0.07 0.00 -2.33 0.00 0.00 43.42 39.55 1ddm n LEU 128 CO 0.00 -2.19 0.07 -0.60 -1.33 0.00 0.00 177.39 173.34 1ddm s ARG 129 N -4.49 0.41 -0.45 3.23 3.52 -1.17 -4.36 118.95 115.64 1ddm s ARG 129 Ca 0.67 1.02 -0.14 0.00 -0.13 0.00 0.00 55.73 57.15 1ddm s ARG 129 Cb -0.24 0.30 0.06 0.00 -1.56 0.00 0.00 34.95 33.52 1ddm s ARG 129 CO 0.58 -0.37 0.35 0.08 -0.81 0.00 0.00 175.30 175.13 1ddm s VAL 130 N 2.69 5.05 -0.19 7.11 1.01 -1.25 -0.87 120.40 133.95 1ddm s VAL 130 Ca 0.03 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 1ddm s VAL 130 Cb -0.13 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1ddm s VAL 130 CO -0.16 -0.51 0.09 -0.69 0.00 0.00 0.00 175.10 173.83 1ddm s VAL 131 N 1.61 5.03 1.28 2.92 1.01 -0.56 -1.79 120.40 129.89 1ddm s VAL 131 Ca 0.04 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1ddm s VAL 131 Cb -0.23 -3.29 0.31 0.00 0.00 0.00 0.00 36.38 33.18 1ddm s VAL 131 CO 0.06 0.44 1.01 -0.62 0.00 0.00 0.00 175.10 176.00 1ddm s ASP 132 N 0.45 0.18 0.00 3.32 2.15 -1.17 -1.05 116.67 120.54 1ddm s ASP 132 Ca 0.05 0.95 0.07 0.00 0.43 0.00 0.00 52.55 54.05 1ddm s ASP 132 Cb -0.12 -1.40 -0.00 0.00 -0.30 0.00 0.00 42.92 41.10 1ddm s ASP 132 CO -0.00 -4.62 0.51 0.47 -0.17 0.00 0.00 175.17 171.37 1ddm n ASP 133 N -5.14 0.99 -0.02 -0.34 9.92 -0.19 -3.76 116.55 118.01 1ddm n ASP 133 Ca 0.10 -1.00 -0.04 0.00 -0.53 0.00 0.00 54.79 53.33 1ddm n ASP 133 Cb 0.58 0.47 -0.02 0.00 -0.64 0.00 0.00 41.12 41.51 1ddm n ASP 133 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ddm n GLU 134 N -0.32 0.09 0.03 -1.24 2.13 -1.26 -4.74 120.64 115.33 1ddm n GLU 134 Ca 0.03 0.03 0.03 0.00 0.66 0.00 0.00 57.16 57.91 1ddm n GLU 134 Cb 0.14 -0.86 -0.08 0.00 0.27 0.00 0.00 31.44 30.92 1ddm n GLU 134 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1ddm n THR 135 N -2.91 0.92 -2.85 6.31 -1.04 -1.26 -4.96 114.28 108.49 1ddm n THR 135 Ca -0.07 -0.65 -0.19 0.00 -2.04 0.00 0.00 64.05 61.10 1ddm n THR 135 Cb 0.56 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 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 -2.75 -3.16 -2.98 -2.82 4.76 -1.25 -4.95 118.16 105.01 1ddm n LYS 136 Ca -0.09 0.69 -0.19 0.00 -2.87 0.00 0.00 58.31 55.86 1ddm n LYS 136 Cb 0.76 -5.40 0.04 0.00 -1.84 0.00 0.00 35.03 28.60 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 -1.12 2.20 3.76 0.72 0.00 -1.26 -4.74 105.19 104.75 1ddm n GLY 137 Ca -0.11 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.28 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 4.46 -0.03 0.99 2.96 -1.26 -3.05 118.68 122.75 1ddm s LEU 138 Ca 0.46 1.31 -0.02 0.00 -0.22 0.00 0.00 54.13 55.66 1ddm s LEU 138 Cb -0.04 -3.05 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 1ddm s LEU 138 CO 0.29 0.10 -0.06 -0.38 -1.32 0.00 0.00 176.35 174.99 1ddm n ILE 139 N 2.52 0.42 -3.96 6.68 5.41 -0.74 -4.97 119.36 124.72 1ddm n ILE 139 Ca -0.06 0.02 -0.33 0.00 1.00 0.00 0.00 62.75 63.38 1ddm n ILE 139 Cb 0.50 -1.59 -0.14 0.00 -0.71 0.00 0.00 39.64 37.71 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 -2.09 2.58 -0.42 1.39 1.01 -1.26 -4.96 120.40 116.64 1ddm s VAL 140 Ca -0.06 -1.98 0.02 0.00 0.00 0.00 0.00 61.98 59.96 1ddm s VAL 140 Cb 0.02 -2.72 0.50 0.00 0.00 0.00 0.00 36.38 34.17 1ddm s VAL 140 CO 0.07 -0.42 1.83 -0.67 0.00 0.00 0.00 175.10 175.92 1ddm n ASP 141 N 4.42 4.69 -2.65 3.32 2.03 -1.26 -3.85 116.55 123.25 1ddm n ASP 141 Ca -0.04 -3.38 -0.09 0.00 0.52 0.00 0.00 54.79 51.80 1ddm n ASP 141 Cb 0.42 -0.85 0.07 0.00 -0.72 0.00 0.00 41.12 40.04 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 -0.74 -0.72 -3.75 -0.67 1.13 -1.26 -5.03 117.38 106.34 1ddm n GLN 142 Ca 0.50 -0.62 -0.13 0.00 -1.94 0.00 0.00 57.00 54.80 1ddm n GLN 142 Cb 1.22 -0.45 -0.09 0.00 0.11 0.00 0.00 30.24 31.03 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 -1.84 0.05 0.22 5.09 2.01 -1.26 -3.88 115.64 116.02 1ddm s THR 143 Ca 0.23 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 1ddm s THR 143 Cb -0.01 -0.62 0.16 0.00 0.01 0.00 0.00 72.50 72.04 1ddm s THR 143 CO 0.17 -0.22 1.78 0.40 -0.69 0.00 0.00 174.62 176.06 1ddm h ILE 144 N 3.90 1.26 -0.15 1.82 2.04 -1.91 -0.78 117.51 123.69 1ddm h ILE 144 Ca -0.29 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1ddm h ILE 144 Cb 1.18 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1ddm h ILE 144 CO 0.39 0.34 0.00 -0.62 0.00 0.00 0.00 178.15 178.25 1ddm n GLU 145 N -4.27 1.58 -0.03 2.37 1.02 -1.26 -3.83 120.64 116.22 1ddm n GLU 145 Ca 0.07 -0.64 -0.06 0.00 -0.02 0.00 0.00 57.16 56.51 1ddm n GLU 145 Cb 0.19 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 1ddm n GLU 145 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ddm n LYS 146 N 0.05 0.14 -2.25 3.49 4.81 -0.50 -5.04 118.16 118.86 1ddm n LYS 146 Ca 0.06 0.06 -0.37 0.00 -0.87 0.00 0.00 58.31 57.18 1ddm n LYS 146 Cb 0.27 -0.79 -0.01 0.00 0.02 0.00 0.00 35.03 34.52 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 -2.12 3.09 0.06 3.15 -7.23 -0.42 -4.79 120.40 112.15 1ddm s VAL 147 Ca -0.09 0.81 -0.25 0.00 -1.81 0.00 0.00 61.98 60.65 1ddm s VAL 147 Cb 0.03 -3.41 -0.11 0.00 0.56 0.00 0.00 36.38 33.45 1ddm s VAL 147 CO 0.12 -0.02 1.39 -1.28 -0.31 0.00 0.00 175.10 175.00 1ddm h SER 148 N 2.02 -1.03 -3.55 4.85 0.87 -1.85 -3.47 113.55 111.39 1ddm h SER 148 Ca -0.49 0.09 0.11 0.00 -1.23 0.00 0.00 61.79 60.26 1ddm h SER 148 Cb 1.25 0.35 -0.25 0.00 -0.44 0.00 0.00 62.40 63.31 1ddm h SER 148 CO 0.60 -0.44 0.60 0.72 -0.53 0.00 0.00 176.83 177.78 1ddm s PHE 149 N -4.96 -0.33 0.90 2.24 -0.12 -1.26 -5.11 117.98 109.34 1ddm s PHE 149 Ca -0.12 0.66 -0.12 0.00 -0.05 0.00 0.00 56.93 57.31 1ddm s PHE 149 Cb 0.03 0.43 0.13 0.00 -0.63 0.00 0.00 43.02 42.99 1ddm s PHE 149 CO 0.42 -0.24 1.09 0.00 -0.05 0.00 0.00 175.22 176.44 1ddm s ALA 151 N -2.97 -3.17 0.00 0.00 0.00 -1.22 -4.95 121.76 109.46 1ddm s ALA 151 Ca 0.63 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1ddm s ALA 151 Cb -0.18 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1ddm s ALA 151 CO 0.57 -1.91 0.89 -2.30 0.00 0.00 0.00 175.76 173.00 1ddm n PRO 152 N 5.28 0.81 0.00 0.00 -0.02 -1.26 -3.18 135.00 136.63 1ddm n PRO 152 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1ddm n PRO 152 Cb 0.56 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 1ddm n PRO 152 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ddm n ASP 153 N 0.69 0.00 0.00 2.55 9.92 -1.26 -0.97 116.55 127.48 1ddm n ASP 153 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1ddm n ASP 153 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1ddm n ASP 153 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ddm n ARG 154 N 0.00 1.05 -3.66 -1.24 1.74 -1.26 -4.93 116.66 108.36 1ddm n ARG 154 Ca 0.00 -0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.73 1ddm n ARG 154 Cb 0.00 -0.48 0.06 0.00 -1.02 0.00 0.00 32.46 31.02 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 -0.18 -4.08 0.00 0.55 4.05 -0.14 -4.84 115.26 110.62 1ddm n ASN 155 Ca 0.00 -0.67 0.00 0.00 0.45 0.00 0.00 54.58 54.36 1ddm n ASN 155 Cb 0.08 -4.59 0.00 0.00 1.23 0.00 0.00 39.78 36.50 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 -4.60 0.00 -0.36 1.20 -0.00 -1.26 -4.81 115.22 105.39 1ddm n HIS 156 Ca -0.11 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.16 1ddm n HIS 156 Cb 0.60 0.00 0.25 0.00 -0.12 0.00 0.00 29.99 30.71 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 -0.28 2.95 -2.17 1.57 1.02 -1.26 -4.94 120.64 117.52 1ddm n GLU 157 Ca 0.00 -2.43 -0.19 0.00 -0.02 0.00 0.00 57.16 54.53 1ddm n GLU 157 Cb 0.01 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 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 0.92 -1.72 -4.73 3.49 3.00 -1.26 -4.96 116.66 111.40 1ddm n ARG 158 Ca 0.19 0.95 -0.33 0.00 -0.01 0.00 0.00 57.85 58.65 1ddm n ARG 158 Cb 0.59 -5.52 -0.14 0.00 0.00 0.00 0.00 32.46 27.39 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 -2.19 1.56 0.11 -0.13 0.00 -1.26 -2.66 107.32 102.75 1ddm s GLY 159 Ca 0.00 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 43.90 1ddm s GLY 159 CO 0.00 -0.19 -0.15 -1.36 0.00 0.00 0.00 173.10 171.40 1ddm s PHE 160 N 0.31 1.42 -0.10 1.90 0.08 -0.64 -4.07 117.98 116.88 1ddm s PHE 160 Ca -0.09 -0.50 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 1ddm s PHE 160 Cb -0.16 -0.76 0.08 0.00 -0.57 0.00 0.00 43.02 41.61 1ddm s PHE 160 CO 0.05 0.14 0.75 -1.54 -0.10 0.00 0.00 175.22 174.52 1ddm s SER 161 N -2.16 -0.61 0.25 1.36 1.04 -1.19 -1.37 113.70 111.02 1ddm s SER 161 Ca 0.05 0.76 0.08 0.00 0.48 0.00 0.00 55.95 57.32 1ddm s SER 161 Cb -0.07 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1ddm s SER 161 CO 0.03 -0.51 -0.11 -0.72 0.98 0.00 0.00 173.24 172.92 1ddm s TYR 162 N -0.95 1.92 0.15 5.02 -0.85 -1.01 -3.43 117.35 118.20 1ddm s TYR 162 Ca -0.08 -0.60 0.11 0.00 -0.52 0.00 0.00 57.07 55.98 1ddm s TYR 162 Cb -0.01 -0.99 -0.04 0.00 0.38 0.00 0.00 41.96 41.30 1ddm s TYR 162 CO 0.07 0.37 -0.25 0.42 -1.52 0.00 0.00 175.55 174.64 1ddm s ILE 163 N -2.92 2.24 -0.04 -3.49 1.01 -1.26 -2.06 121.20 114.67 1ddm s ILE 163 Ca 0.27 -1.83 -0.16 0.00 0.00 0.00 0.00 60.65 58.92 1ddm s ILE 163 Cb 0.01 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 40.51 1ddm s ILE 163 CO 0.11 0.01 0.37 0.00 0.00 0.00 0.00 174.94 175.42 1ddm n ARG 165 N 1.55 3.14 -0.20 0.00 1.85 -1.26 -0.92 116.66 120.82 1ddm n ARG 165 Ca -0.20 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.47 1ddm n ARG 165 Cb 0.56 0.00 0.18 0.00 -1.05 0.00 0.00 32.46 32.15 1ddm n ARG 165 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1ddm n ASP 166 N 0.00 -3.24 0.00 2.89 5.68 -0.27 -4.42 116.55 117.19 1ddm n ASP 166 Ca 0.00 -0.53 0.00 0.00 -0.50 0.00 0.00 54.79 53.76 1ddm n ASP 166 Cb 0.00 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.34 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ddm n GLY 167 N -3.20 1.13 0.00 6.12 0.00 -1.26 -4.66 105.19 103.32 1ddm n GLY 167 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ddm n GLY 167 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ddm n THR 168 N -1.13 0.00 0.24 2.61 -2.24 -1.26 -4.91 114.28 107.59 1ddm n THR 168 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1ddm n THR 168 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1ddm n THR 168 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ddm n THR 169 N -0.12 0.00 -1.33 4.28 -1.04 -1.26 -4.99 114.28 109.82 1ddm n THR 169 Ca 0.00 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.05 61.61 1ddm n THR 169 Cb 0.00 0.81 -0.05 0.00 -1.82 0.00 0.00 70.33 69.28 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 -1.33 -1.20 -1.66 -2.82 1.74 -1.26 -4.87 116.66 105.26 1ddm n ARG 170 Ca 0.01 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1ddm n ARG 170 Cb 0.13 -5.01 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 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 -1.84 0.00 -3.18 5.56 1.85 -1.26 -4.82 116.66 112.98 1ddm n ARG 171 Ca -0.11 -0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.31 1ddm n ARG 171 Cb 0.47 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.82 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 -4.44 3.13 0.42 2.89 -2.14 -1.26 -1.11 118.94 116.42 1ddm s TRP 172 Ca 0.00 0.09 0.04 0.00 2.66 0.00 0.00 56.10 58.90 1ddm s TRP 172 Cb -0.00 -3.11 -0.05 0.00 -3.10 0.00 0.00 33.47 27.21 1ddm s TRP 172 CO 0.00 -0.68 0.04 -1.64 -2.66 0.00 0.00 176.95 172.01 1ddm s MET 173 N 2.58 1.94 -0.22 3.25 -1.94 -0.09 -2.06 119.30 122.77 1ddm s MET 173 Ca 0.21 -2.15 -0.12 0.00 -1.71 0.00 0.00 55.69 51.92 1ddm s MET 173 Cb -0.15 -1.26 0.07 0.00 2.01 0.00 0.00 34.83 35.50 1ddm s MET 173 CO 0.16 -0.24 0.52 0.00 -0.01 0.00 0.00 175.02 175.45 1ddm s HIS 175 N 1.55 3.46 0.06 0.00 0.09 -0.87 -2.28 115.29 117.29 1ddm s HIS 175 Ca -0.09 0.10 0.01 0.00 -0.00 0.00 0.00 55.06 55.08 1ddm s HIS 175 Cb -0.07 -1.65 -0.03 0.00 -0.00 0.00 0.00 32.58 30.83 1ddm s HIS 175 CO -0.16 0.51 -0.06 0.20 -0.00 0.00 0.00 174.74 175.24 1ddm s GLY 176 N -3.26 0.54 0.20 -2.22 0.00 -1.22 -2.42 107.32 98.95 1ddm s GLY 176 Ca 0.34 -1.02 -0.22 0.00 0.00 0.00 0.00 44.72 43.82 1ddm s GLY 176 CO 0.28 -1.11 0.98 -0.11 0.00 0.00 0.00 173.10 173.14 1ddm s PHE 177 N -2.68 0.02 0.02 1.90 -0.71 -0.47 -2.40 117.98 113.64 1ddm s PHE 177 Ca -0.00 -0.42 -0.09 0.00 -1.04 0.00 0.00 56.93 55.37 1ddm s PHE 177 Cb -0.01 0.70 0.01 0.00 -1.21 0.00 0.00 43.02 42.51 1ddm s PHE 177 CO -0.04 -0.98 0.19 -0.51 -1.34 0.00 0.00 175.22 172.53 1ddm s LEU 178 N -3.22 1.38 -0.27 -1.99 1.02 -1.22 -1.62 118.68 112.77 1ddm s LEU 178 Ca 0.18 -0.24 -0.29 0.00 0.02 0.00 0.00 54.13 53.81 1ddm s LEU 178 Cb -0.03 0.88 -0.02 0.00 0.02 0.00 0.00 46.19 47.04 1ddm s LEU 178 CO 0.05 -0.46 1.61 0.00 0.02 0.00 0.00 176.35 177.57 1ddm s ALA 179 N -1.89 3.17 0.24 4.21 0.00 -1.09 -0.65 121.76 125.75 1ddm s ALA 179 Ca -0.10 0.33 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 1ddm s ALA 179 Cb -0.04 -3.89 0.33 0.00 0.00 0.00 0.00 23.12 19.52 1ddm s ALA 179 CO -0.00 -2.13 1.86 0.00 0.00 0.00 0.00 175.76 175.48 1ddm h LYS 181 N 1.01 0.00 -4.65 0.00 1.57 -1.90 -3.49 116.57 109.11 1ddm h LYS 181 Ca 0.38 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1ddm h LYS 181 Cb 0.15 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.38 1ddm h LYS 181 CO -0.17 0.09 -1.25 -0.25 -0.57 0.00 0.00 179.45 177.31 1ddm n ASP 182 N -3.18 -3.50 0.00 0.86 8.00 -0.01 -5.03 116.55 113.70 1ddm n ASP 182 Ca 0.01 1.38 0.00 0.00 0.71 0.00 0.00 54.79 56.90 1ddm n ASP 182 Cb 0.41 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 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 1.58 0.00 -0.21 -2.24 2.88 -1.26 -5.02 113.62 109.34 1ddm n SER 183 Ca -0.25 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.27 1ddm n SER 183 Cb 0.38 0.14 -0.01 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.34 0.60 0.00 0.46 0.00 -1.26 -4.83 105.19 98.82 1ddm n GLY 184 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.73 2.45 0.16 1.61 4.07 -1.26 -4.21 120.64 120.73 1ddm n GLU 185 Ca -0.03 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.20 1ddm n GLU 185 Cb 0.12 -0.73 0.26 0.00 -0.06 0.00 0.00 31.44 31.02 1ddm n GLU 185 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ddm h ARG 186 N 0.00 0.00 0.00 5.31 2.47 -1.97 -3.24 114.38 116.95 1ddm h ARG 186 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1ddm h ARG 186 Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1ddm h ARG 186 CO 0.00 0.00 -1.03 1.28 0.56 0.00 0.00 179.97 180.78 1ddm n LEU 187 N -2.71 1.05 0.34 3.04 4.32 -1.26 -4.01 117.00 117.76 1ddm n LEU 187 Ca 0.04 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.87 1ddm n LEU 187 Cb 0.49 -0.02 -0.09 0.00 -1.62 0.00 0.00 43.42 42.18 1ddm n LEU 187 CO 0.33 0.18 0.60 -1.28 -1.22 0.00 0.00 177.39 176.00 1ddm h SER 188 N -0.01 -0.71 0.24 -1.43 0.87 -1.76 -0.22 113.55 110.53 1ddm h SER 188 Ca -0.01 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1ddm h SER 188 Cb 1.01 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1ddm h SER 188 CO -0.01 -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 -0.12 2.24 -0.00 -1.22 -2.26 115.22 108.44 1ddm n HIS 189 Ca -0.13 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.33 1ddm n HIS 189 Cb 0.35 -0.27 -0.11 0.00 -0.00 0.00 0.00 29.99 29.96 1ddm n HIS 189 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddm n ALA 190 N -1.27 1.10 0.25 1.57 0.00 -0.98 -4.38 120.51 116.80 1ddm n ALA 190 Ca 0.07 -0.92 0.13 0.00 0.00 0.00 0.00 53.44 52.72 1ddm n ALA 190 Cb 0.11 -0.12 0.57 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.84 0.29 0.00 0.00 3.04 -0.98 -2.54 116.25 115.23 1ddm h VAL 191 Ca -0.59 -0.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.30 1ddm h VAL 191 Cb 1.59 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 32.50 1ddm h VAL 191 CO -0.31 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 176.97 1ddm n GLY 192 N 0.07 -0.91 0.02 3.17 0.00 -0.96 -2.66 105.19 103.92 1ddm n GLY 192 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.06 -0.02 0.00 0.00 0.00 -1.56 -3.30 119.26 114.45 1ddm h ALA 194 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1ddm h ALA 194 Cb 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ddm h ALA 194 CO 0.00 -0.06 -0.12 0.27 0.00 0.00 0.00 179.25 179.34 1ddm h PHE 195 N -0.93 0.00 0.00 0.00 -5.15 -1.85 -1.33 116.94 107.69 1ddm h PHE 195 Ca -0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1ddm h PHE 195 Cb 0.76 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.93 1ddm h PHE 195 CO 0.20 0.12 -0.04 0.00 -2.00 0.00 0.00 178.31 176.59 1ddm h ALA 196 N 1.88 1.25 -0.69 12.09 0.00 -1.83 0.76 119.26 132.73 1ddm h ALA 196 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ddm h ALA 196 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ddm h ALA 196 CO 0.01 0.05 0.00 0.28 0.00 0.00 0.00 179.25 179.59 1ddm n VAL 197 N -3.49 1.27 0.12 0.00 0.31 -0.50 -3.46 118.33 112.58 1ddm n VAL 197 Ca -0.02 -1.03 0.02 0.00 -0.01 0.00 0.00 64.34 63.30 1ddm n VAL 197 Cb 0.15 0.34 -0.02 0.00 -0.91 0.00 0.00 33.84 33.39 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 -1.25 1.00 -0.11 0.00 -0.00 -1.01 -4.75 117.00 110.88 1ddm n LEU 199 Ca 0.00 -0.98 -0.22 0.00 -0.00 0.00 0.00 56.01 54.81 1ddm n LEU 199 Cb 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.40 1ddm n LEU 199 CO 0.07 0.24 -1.27 1.21 -0.00 0.00 0.00 177.39 177.65 1ddm n GLU 200 N -0.02 0.50 0.00 1.47 2.13 -1.22 -5.11 120.64 118.39 1ddm n GLU 200 Ca 0.00 0.19 0.13 0.00 0.66 0.00 0.00 57.16 58.15 1ddm n GLU 200 Cb 0.01 -1.34 0.37 0.00 0.27 0.00 0.00 31.44 30.75 1ddm n GLU 200 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26