#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef h TRP 57 N 0.00 0.00 0.00 0.00 5.08 -1.90 -2.62 115.95 116.51 2nef h TRP 57 Ca 0.00 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.85 2nef h TRP 57 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 2nef h TRP 57 CO 0.00 0.00 -0.71 1.25 -1.28 0.00 0.00 178.44 177.70 2nef h LEU 58 N 0.00 0.00 0.00 0.11 5.85 -1.89 -3.42 115.31 115.96 2nef h LEU 58 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2nef h LEU 58 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2nef h LEU 58 CO 0.00 0.51 0.00 -0.62 -0.34 0.00 0.00 178.44 177.99 2nef n GLU 59 N -3.14 0.00 -2.08 1.25 -0.58 -0.99 -4.72 120.64 110.38 2nef n GLU 59 Ca -0.01 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 2nef n GLU 59 Cb 0.76 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.60 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nef s ALA 60 N -3.67 2.90 -0.15 0.62 0.00 -1.25 -4.80 121.76 115.40 2nef s ALA 60 Ca 0.00 0.16 0.16 0.00 0.00 0.00 0.00 51.96 52.28 2nef s ALA 60 Cb 0.00 -4.00 0.33 0.00 0.00 0.00 0.00 23.12 19.45 2nef s ALA 60 CO 0.00 -2.59 1.17 0.94 0.00 0.00 0.00 175.76 175.29 2nef n GLN 61 N 8.36 1.36 0.02 0.00 7.27 -1.26 -4.52 117.38 128.61 2nef n GLN 61 Ca 0.21 -2.81 -0.02 0.00 0.07 0.00 0.00 57.00 54.46 2nef n GLN 61 Cb 0.47 -1.51 -0.01 0.00 2.41 0.00 0.00 30.24 31.60 2nef n GLN 61 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2nef h GLU 62 N 0.36 -0.12 -0.10 3.69 3.07 -1.96 -3.43 114.58 116.09 2nef h GLU 62 Ca -0.00 0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.68 2nef h GLU 62 Cb 1.02 0.03 -0.36 0.00 -0.84 0.00 0.00 28.75 28.59 2nef h GLU 62 CO 0.00 -0.08 -0.97 -0.85 -1.40 0.00 0.00 179.01 175.71 2nef n GLU 63 N -3.68 0.42 -3.42 2.33 0.28 -1.26 -4.97 120.64 110.34 2nef n GLU 63 Ca -0.02 -2.22 -0.27 0.00 -0.16 0.00 0.00 57.16 54.49 2nef n GLU 63 Cb 0.05 -0.30 -0.10 0.00 1.43 0.00 0.00 31.44 32.52 2nef n GLU 63 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2nef n GLU 64 N 0.15 0.50 -0.34 3.44 -0.58 -1.26 -4.97 120.64 117.58 2nef n GLU 64 Ca 0.03 -3.36 0.00 0.00 -0.42 0.00 0.00 57.16 53.40 2nef n GLU 64 Cb 1.03 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 2nef n GLU 64 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2nef n GLU 65 N 2.50 0.98 -3.66 3.49 -0.58 -1.26 -4.66 120.64 117.45 2nef n GLU 65 Ca 0.28 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.96 2nef n GLU 65 Cb 0.47 -1.01 -0.07 0.00 -0.57 0.00 0.00 31.44 30.26 2nef n GLU 65 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2nef s VAL 66 N 0.04 -0.65 0.03 2.62 1.01 -1.26 -4.97 120.40 117.22 2nef s VAL 66 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 2nef s VAL 66 Cb 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 36.38 35.36 2nef s VAL 66 CO 0.00 0.03 1.33 1.23 0.00 0.00 0.00 175.10 177.69 2nef h GLY 67 N 7.84 -0.97 -4.77 4.51 0.00 -1.86 -3.46 103.07 104.37 2nef h GLY 67 Ca -0.21 0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 2nef h GLY 67 CO 0.13 -0.35 -0.12 -0.11 0.00 0.00 0.00 176.54 176.10 2nef s PHE 68 N -5.23 -0.46 -0.92 5.60 -0.71 -1.26 -4.92 117.98 110.09 2nef s PHE 68 Ca -0.16 0.98 -0.24 0.00 -1.04 0.00 0.00 56.93 56.47 2nef s PHE 68 Cb 0.02 0.20 -0.23 0.00 -1.21 0.00 0.00 43.02 41.81 2nef s PHE 68 CO 0.52 -0.36 2.38 -2.30 -1.34 0.00 0.00 175.22 174.12 2nef n PRO 69 N 2.02 0.00 -0.13 1.99 -0.02 -1.26 -4.89 135.00 132.70 2nef n PRO 69 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2nef n PRO 69 Cb 0.56 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 2nef n PRO 69 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2nef n VAL 70 N 6.51 0.00 -3.19 -1.45 0.24 -1.26 -5.04 118.33 114.14 2nef n VAL 70 Ca 0.61 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.53 2nef n VAL 70 Cb 0.05 -1.72 -0.06 0.00 -1.47 0.00 0.00 33.84 30.64 2nef n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2nef s THR 71 N 0.08 4.64 0.00 3.34 -4.23 -1.25 -5.06 115.64 113.16 2nef s THR 71 Ca 0.00 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.80 2nef s THR 71 Cb 0.00 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 69.91 2nef s THR 71 CO 0.00 0.46 0.00 -0.81 -0.54 0.00 0.00 174.62 173.73 2nef n PRO 72 N 1.45 1.09 -1.50 3.99 -0.04 -1.26 -3.98 135.00 134.74 2nef n PRO 72 Ca -0.08 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.04 2nef n PRO 72 Cb 0.50 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.80 2nef n PRO 72 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2nef n GLN 73 N 0.00 0.06 -2.96 0.54 6.02 -1.26 -4.72 117.38 115.06 2nef n GLN 73 Ca 0.00 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.67 2nef n GLN 73 Cb 0.00 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2nef s VAL 74 N 6.73 4.81 -0.38 5.09 -7.23 -1.26 -4.91 120.40 123.26 2nef s VAL 74 Ca 1.32 0.56 -0.34 0.00 -1.81 0.00 0.00 61.98 61.72 2nef s VAL 74 Cb -1.07 -3.72 -0.14 0.00 0.56 0.00 0.00 36.38 32.00 2nef s VAL 74 CO 0.49 -0.46 1.51 -2.65 -0.31 0.00 0.00 175.10 173.69 2nef n PRO 75 N -1.15 0.00 -1.64 4.82 -0.02 -1.26 -4.69 135.00 131.07 2nef n PRO 75 Ca 0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.18 2nef n PRO 75 Cb 0.54 -1.13 -0.04 0.00 -0.02 0.00 0.00 33.50 32.85 2nef n PRO 75 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nef s LEU 76 N 3.97 3.29 0.00 2.45 1.43 -1.26 -4.94 118.68 123.63 2nef s LEU 76 Ca 0.88 0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 54.59 2nef s LEU 76 Cb -1.13 -2.51 0.20 0.00 0.03 0.00 0.00 46.19 42.78 2nef s LEU 76 CO 0.52 -2.99 1.21 0.54 0.23 0.00 0.00 176.35 175.87 2nef n ARG 77 N 9.00 -1.08 -3.17 1.70 1.74 -1.26 -5.01 116.66 118.57 2nef n ARG 77 Ca 0.36 -2.00 -0.41 0.00 -0.77 0.00 0.00 57.85 55.03 2nef n ARG 77 Cb 0.52 -1.21 -0.07 0.00 -1.02 0.00 0.00 32.46 30.69 2nef n ARG 77 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2nef s PRO 78 N -5.63 3.71 0.48 5.56 0.04 -1.26 -4.97 135.00 132.93 2nef s PRO 78 Ca 0.70 0.02 -0.23 0.00 0.04 0.00 0.00 61.00 61.52 2nef s PRO 78 Cb -0.02 -3.79 -0.07 0.00 0.04 0.00 0.00 34.50 30.67 2nef s PRO 78 CO 0.49 -0.65 1.28 1.41 0.04 0.00 0.00 177.00 179.57 2nef s MET 79 N 2.54 3.54 0.07 4.56 1.75 -1.26 -5.02 119.30 125.48 2nef s MET 79 Ca 0.22 2.06 0.04 0.00 -1.25 0.00 0.00 55.69 56.76 2nef s MET 79 Cb -0.15 -2.42 -0.03 0.00 2.84 0.00 0.00 34.83 35.07 2nef s MET 79 CO 0.13 -0.81 -0.13 0.95 -0.65 0.00 0.00 175.02 174.51 2nef s THR 80 N -1.38 0.99 0.25 10.11 -4.23 -1.26 -4.95 115.64 115.17 2nef s THR 80 Ca 0.65 -1.30 -0.03 0.00 -1.18 0.00 0.00 61.69 59.83 2nef s THR 80 Cb -0.36 -1.02 0.22 0.00 1.34 0.00 0.00 72.50 72.69 2nef s THR 80 CO 0.43 -0.29 1.74 0.10 -0.54 0.00 0.00 174.62 176.07 2nef h TYR 81 N 4.25 0.61 -0.33 3.99 -0.00 -1.96 2.66 116.97 126.20 2nef h TYR 81 Ca -0.40 0.03 0.03 0.00 0.00 0.00 0.00 58.73 58.40 2nef h TYR 81 Cb 1.19 -0.15 -0.02 0.00 0.00 0.00 0.00 36.73 37.75 2nef h TYR 81 CO 0.64 0.11 0.22 -0.22 -0.00 0.00 0.00 178.16 178.91 2nef h LYS 82 N 0.52 0.33 -0.39 0.10 3.64 -1.95 0.48 116.57 119.30 2nef h LYS 82 Ca 0.43 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.70 2nef h LYS 82 Cb 0.63 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2nef h LYS 82 CO -0.38 0.22 -0.13 0.00 -2.27 0.00 0.00 179.45 176.89 2nef h ALA 83 N 1.81 1.05 -0.26 5.00 0.00 0.42 -1.69 119.26 125.59 2nef h ALA 83 Ca 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2nef h ALA 83 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2nef h ALA 83 CO -0.03 0.58 0.12 0.00 0.00 0.00 0.00 179.25 179.91 2nef h ALA 84 N 1.23 0.34 -0.60 0.00 0.00 0.96 0.10 119.26 121.30 2nef h ALA 84 Ca 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2nef h ALA 84 Cb 0.58 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2nef h ALA 84 CO 0.04 -0.08 0.26 0.28 0.00 0.00 0.00 179.25 179.75 2nef h VAL 85 N 0.28 1.22 -0.14 0.00 2.07 -1.24 0.79 116.25 119.23 2nef h VAL 85 Ca 0.09 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 2nef h VAL 85 Cb 0.15 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2nef h VAL 85 CO -0.01 0.26 0.08 0.44 0.02 0.00 0.00 177.57 178.37 2nef h ASP 86 N 0.83 0.16 -0.81 0.57 3.32 -1.04 -2.15 116.42 117.30 2nef h ASP 86 Ca 0.20 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 2nef h ASP 86 Cb 0.16 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2nef h ASP 86 CO -0.02 0.15 0.36 0.25 -1.72 0.00 0.00 179.24 178.26 2nef h LEU 87 N 0.16 1.09 -0.21 1.55 5.85 -0.36 -0.64 115.31 122.76 2nef h LEU 87 Ca 0.05 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.67 2nef h LEU 87 Cb 0.02 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 2nef h LEU 87 CO -0.01 0.94 -0.30 0.77 -0.34 0.00 0.00 178.44 179.50 2nef h SER 88 N 1.16 -0.96 0.83 1.25 4.64 0.12 -0.28 113.55 120.31 2nef h SER 88 Ca 0.27 0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.67 2nef h SER 88 Cb 0.16 0.42 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2nef h SER 88 CO -0.03 -0.33 -0.39 0.45 -0.87 0.00 0.00 176.83 175.66 2nef h HIS 89 N -0.33 0.00 0.63 4.77 3.86 -1.27 -2.81 115.15 120.00 2nef h HIS 89 Ca 0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2nef h HIS 89 Cb 0.52 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 2nef h HIS 89 CO -0.43 0.39 -0.37 0.35 0.86 0.00 0.00 177.93 178.73 2nef h PHE 90 N 0.00 -0.97 0.00 2.45 3.57 0.54 -1.97 116.94 120.55 2nef h PHE 90 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2nef h PHE 90 Cb 0.91 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 2nef h PHE 90 CO 0.00 -0.56 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.45 2nef h LEU 91 N -0.93 0.00 -1.45 0.59 3.38 -1.39 -2.18 115.31 113.33 2nef h LEU 91 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2nef h LEU 91 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2nef h LEU 91 CO 0.10 0.00 0.11 0.50 0.09 0.00 0.00 178.44 179.24 2nef h LYS 92 N 0.00 0.48 0.00 1.13 3.64 -1.08 0.27 116.57 121.01 2nef h LYS 92 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2nef h LYS 92 Cb 0.10 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2nef h LYS 92 CO 0.00 0.42 0.00 0.39 -2.27 0.00 0.00 179.45 177.99 2nef n GLU 93 N -4.38 0.00 0.12 1.90 -0.58 -0.82 -4.32 120.64 112.56 2nef n GLU 93 Ca 0.02 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.55 2nef n GLU 93 Cb 0.15 -0.46 -0.15 0.00 -0.57 0.00 0.00 31.44 30.41 2nef n GLU 93 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 2nef h LYS 94 N 0.00 0.41 -0.09 3.49 2.10 -1.70 -3.37 116.57 117.41 2nef h LYS 94 Ca 0.00 -0.71 0.01 0.00 -2.00 0.00 0.00 60.65 57.95 2nef h LYS 94 Cb 0.00 0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2nef h LYS 94 CO 0.00 1.33 -0.08 0.78 -2.00 0.00 0.00 179.45 179.48 2nef h GLY 95 N 0.83 -2.12 -1.45 0.07 0.00 -1.23 -3.46 103.07 95.70 2nef h GLY 95 Ca -0.23 0.96 -0.09 0.00 0.00 0.00 0.00 47.33 47.98 2nef h GLY 95 CO 0.23 -0.76 -0.13 0.61 0.00 0.00 0.00 176.54 176.49 2nef n GLY 96 N -1.04 0.45 0.13 4.60 0.00 0.75 -4.73 105.19 105.34 2nef n GLY 96 Ca -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.46 2nef n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nef h LEU 97 N -0.34 0.00 -9.61 0.99 5.85 -1.89 -3.43 115.31 106.88 2nef h LEU 97 Ca -0.11 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.03 2nef h LEU 97 Cb 1.08 0.00 0.16 0.00 0.37 0.00 0.00 40.66 42.27 2nef h LEU 97 CO 0.12 0.58 -0.17 1.21 -0.34 0.00 0.00 178.44 179.84 2nef n GLU 98 N -3.24 0.72 -0.48 1.25 2.13 -1.26 -0.81 120.64 118.95 2nef n GLU 98 Ca 0.02 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2nef n GLU 98 Cb 0.77 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.61 2nef n GLU 98 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nef n GLY 99 N 1.57 0.00 3.61 8.31 0.00 0.60 -4.86 105.19 114.41 2nef n GLY 99 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2nef n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nef s LEU 100 N 0.00 3.70 -0.30 0.99 2.96 0.01 -4.75 118.68 121.29 2nef s LEU 100 Ca 0.00 0.98 -0.28 0.00 -0.22 0.00 0.00 54.13 54.62 2nef s LEU 100 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 2nef s LEU 100 CO 0.00 -1.30 2.20 -0.63 -1.32 0.00 0.00 176.35 175.30 2nef s ILE 101 N 5.05 3.07 -0.29 6.68 -1.09 -1.26 -2.85 121.20 130.51 2nef s ILE 101 Ca 0.60 0.07 -0.28 0.00 -2.23 0.00 0.00 60.65 58.80 2nef s ILE 101 Cb -0.15 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 2nef s ILE 101 CO 0.29 -0.08 1.93 -2.28 -1.23 0.00 0.00 174.94 173.57 2nef s HIS 102 N 8.99 1.61 0.00 3.97 5.65 0.98 -4.87 115.29 131.61 2nef s HIS 102 Ca 0.97 0.60 0.00 0.00 0.25 0.00 0.00 55.06 56.87 2nef s HIS 102 Cb -0.28 -4.07 0.00 0.00 -1.18 0.00 0.00 32.58 27.06 2nef s HIS 102 CO 0.33 -3.31 0.08 0.43 -0.65 0.00 0.00 174.74 171.61 2nef n SER 103 N 10.71 0.00 0.00 9.88 7.64 -1.26 -3.41 113.62 137.17 2nef n SER 103 Ca 0.25 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2nef n SER 103 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2nef n GLN 104 N -0.20 0.00 0.00 1.43 -0.06 -1.26 -4.86 117.38 112.43 2nef n GLN 104 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.10 2nef n GLN 104 Cb 0.00 -0.12 -0.06 0.00 -4.06 0.00 0.00 30.24 25.99 2nef n GLN 104 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 2nef n ARG 105 N -1.73 0.92 -0.22 3.69 1.85 -1.26 -4.41 116.66 115.50 2nef n ARG 105 Ca 0.00 -0.45 0.10 0.00 -1.00 0.00 0.00 57.85 56.50 2nef n ARG 105 Cb 0.00 -1.42 0.38 0.00 -1.05 0.00 0.00 32.46 30.37 2nef n ARG 105 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2nef h ARG 106 N 1.08 0.67 -0.75 2.89 2.47 -1.94 -0.84 114.38 117.95 2nef h ARG 106 Ca 0.00 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 2nef h ARG 106 Cb 0.58 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 2nef h ARG 106 CO 0.00 0.44 0.32 0.37 0.56 0.00 0.00 179.97 181.66 2nef h GLN 107 N 0.69 1.11 -0.03 0.04 4.15 -1.97 -2.82 115.11 116.27 2nef h GLN 107 Ca 0.38 -0.18 0.02 0.00 0.77 0.00 0.00 58.65 59.64 2nef h GLN 107 Cb 0.54 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 2nef h GLN 107 CO -0.15 0.88 -0.06 -0.44 -1.93 0.00 0.00 178.83 177.13 2nef h ASP 108 N 1.09 -0.18 -0.40 -0.69 5.19 -1.44 -2.52 116.42 117.46 2nef h ASP 108 Ca 0.26 0.03 0.08 0.00 -0.62 0.00 0.00 57.03 56.78 2nef h ASP 108 Cb 0.17 0.08 -0.08 0.00 0.18 0.00 0.00 39.33 39.69 2nef h ASP 108 CO -0.03 -0.09 -0.13 0.40 -3.12 0.00 0.00 179.24 176.28 2nef h ILE 109 N -0.09 0.54 0.00 0.35 2.04 -1.37 0.33 117.51 119.30 2nef h ILE 109 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2nef h ILE 109 Cb 0.14 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2nef h ILE 109 CO -0.09 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 177.95 2nef n LEU 110 N -5.33 0.00 -0.32 1.44 7.94 -0.99 0.21 117.00 119.95 2nef n LEU 110 Ca 0.02 0.89 0.17 0.00 -1.11 0.00 0.00 56.01 55.98 2nef n LEU 110 Cb 0.24 -0.39 0.36 0.00 0.53 0.00 0.00 43.42 44.17 2nef n LEU 110 CO 0.14 -0.39 1.08 0.44 -1.11 0.00 0.00 177.39 177.55 2nef h ASP 111 N 0.00 0.42 0.50 1.96 3.32 -1.28 -0.20 116.42 121.14 2nef h ASP 111 Ca 0.00 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2nef h ASP 111 Cb 0.00 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2nef h ASP 111 CO 0.00 -0.02 -0.24 0.25 -1.72 0.00 0.00 179.24 177.51 2nef h LEU 112 N 0.41 -0.57 -0.77 1.55 6.46 0.47 -2.29 115.31 120.58 2nef h LEU 112 Ca 0.62 -0.07 0.17 0.00 -0.12 0.00 0.00 57.88 58.48 2nef h LEU 112 Cb 1.24 0.15 -0.11 0.00 -0.73 0.00 0.00 40.66 41.21 2nef h LEU 112 CO -0.55 -0.24 0.20 -0.25 -0.62 0.00 0.00 178.44 176.99 2nef h TRP 113 N -0.92 0.32 -0.15 1.25 7.01 0.39 0.91 115.95 124.76 2nef h TRP 113 Ca -0.07 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.00 2nef h TRP 113 Cb 0.60 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 2nef h TRP 113 CO 0.00 -0.09 0.10 0.82 -2.79 0.00 0.00 178.44 176.48 2nef h ILE 114 N 0.28 0.98 0.53 2.65 2.04 -0.95 -3.02 117.51 120.02 2nef h ILE 114 Ca 0.44 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.24 2nef h ILE 114 Cb 0.78 0.87 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2nef h ILE 114 CO -0.53 0.02 -0.25 0.22 0.00 0.00 0.00 178.15 177.61 2nef h TYR 115 N 0.10 -0.66 0.00 1.37 3.20 0.14 -0.52 116.97 120.61 2nef h TYR 115 Ca 0.06 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2nef h TYR 115 Cb 0.14 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2nef h TYR 115 CO -0.00 -0.41 0.00 0.72 -1.64 0.00 0.00 178.16 176.83 2nef n HIS 116 N -4.25 0.00 0.00 -3.82 8.25 -1.07 -1.87 115.22 112.46 2nef n HIS 116 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2nef n HIS 116 Cb 0.28 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2nef n THR 117 N -0.25 0.00 0.07 1.59 -2.24 -1.02 -3.84 114.28 108.59 2nef n THR 117 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2nef n THR 117 Cb 0.01 -0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 67.85 2nef n THR 117 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2nef h GLN 118 N 0.00 0.00 0.00 -0.78 4.20 -1.25 -3.43 115.11 113.84 2nef h GLN 118 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nef h GLN 118 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2nef h GLN 118 CO 0.00 0.77 0.00 0.41 -0.67 0.00 0.00 178.83 179.34 2nef n GLY 119 N 1.34 0.52 3.75 3.46 0.00 -0.60 -4.68 105.19 108.99 2nef n GLY 119 Ca -0.02 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2nef n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nef s TYR 120 N -2.00 3.70 0.46 1.61 2.02 -1.26 -4.83 117.35 117.05 2nef s TYR 120 Ca 0.00 1.74 -0.20 0.00 -0.37 0.00 0.00 57.07 58.24 2nef s TYR 120 Cb 0.00 -3.19 -0.10 0.00 -0.40 0.00 0.00 41.96 38.27 2nef s TYR 120 CO 0.00 -0.27 0.97 -0.06 -1.57 0.00 0.00 175.55 174.62 2nef s PHE 121 N -0.88 3.28 0.00 2.71 0.40 -1.26 -4.60 117.98 117.63 2nef s PHE 121 Ca 0.45 1.57 0.00 0.00 -0.60 0.00 0.00 56.93 58.35 2nef s PHE 121 Cb -0.29 -2.88 0.00 0.00 0.51 0.00 0.00 43.02 40.36 2nef s PHE 121 CO 0.37 -0.30 1.95 -0.35 0.70 0.00 0.00 175.22 177.59 2nef n PRO 122 N -0.92 0.98 -0.37 0.24 -0.04 -1.26 -4.37 135.00 129.26 2nef n PRO 122 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 2nef n PRO 122 Cb 0.54 -1.01 0.10 0.00 -0.04 0.00 0.00 33.50 33.09 2nef n PRO 122 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2nef n ASP 123 N 1.49 2.95 0.00 3.54 5.68 -1.26 -3.53 116.55 125.42 2nef n ASP 123 Ca 0.00 -2.44 0.00 0.00 -0.50 0.00 0.00 54.79 51.85 2nef n ASP 123 Cb 0.49 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2nef n TRP 124 N 0.08 0.00 -2.54 2.11 4.27 -1.26 -4.98 117.44 115.11 2nef n TRP 124 Ca 0.15 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.34 2nef n TRP 124 Cb 0.74 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.67 2nef n TRP 124 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2nef s GLN 125 N -1.50 3.42 -0.39 -2.67 -2.07 -1.23 -4.38 119.66 110.83 2nef s GLN 125 Ca 0.00 0.19 0.07 0.00 -1.82 0.00 0.00 55.36 53.81 2nef s GLN 125 Cb 0.00 -4.06 0.18 0.00 -1.09 0.00 0.00 33.01 28.04 2nef s GLN 125 CO 0.00 -1.82 0.61 -0.80 -1.32 0.00 0.00 175.29 171.96 2nef s ASN 126 N 3.36 -1.36 0.00 12.60 0.01 -1.26 -5.08 114.94 123.21 2nef s ASN 126 Ca 0.43 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 2nef s ASN 126 Cb -0.08 1.88 0.00 0.00 0.41 0.00 0.00 41.25 43.46 2nef s ASN 126 CO 0.23 -0.19 0.00 -1.22 -1.51 0.00 0.00 177.10 174.41 2nef n TYR 127 N 4.52 -0.42 -3.54 2.20 4.02 -1.26 -2.43 117.16 120.24 2nef n TYR 127 Ca 0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.88 2nef n TYR 127 Cb 0.56 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.83 2nef n TYR 127 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2nef s THR 128 N 0.00 0.00 0.87 -0.72 -1.32 -1.10 -4.60 115.64 108.77 2nef s THR 128 Ca 0.00 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.24 2nef s THR 128 Cb 0.00 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 69.82 2nef s THR 128 CO 0.00 0.00 -1.33 -2.65 -2.21 0.00 0.00 174.62 168.43 2nef n PRO 129 N 0.54 0.00 0.00 7.08 -0.02 -1.26 -4.21 135.00 137.12 2nef n PRO 129 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2nef n PRO 129 Cb 0.59 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.20 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 130 N 3.05 0.93 3.16 -1.23 0.00 -1.26 -4.78 105.19 105.06 2nef n GLY 130 Ca -0.02 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 2nef n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nef n PRO 131 N -0.75 -1.24 0.08 1.61 -0.02 -1.26 -4.62 135.00 128.80 2nef n PRO 131 Ca 0.00 -0.35 0.03 0.00 -2.02 0.00 0.00 63.50 61.15 2nef n PRO 131 Cb 0.00 -1.47 0.14 0.00 -0.02 0.00 0.00 33.50 32.15 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 132 N 2.50 -0.40 3.42 -1.23 0.00 -1.26 -3.82 105.19 104.40 2nef n GLY 132 Ca 0.00 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 2nef n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nef s ILE 133 N -2.86 4.66 -0.25 -0.61 1.09 -1.26 -4.29 121.20 117.68 2nef s ILE 133 Ca -0.01 -1.05 -0.29 0.00 -1.10 0.00 0.00 60.65 58.20 2nef s ILE 133 Cb 0.02 -4.65 -0.00 0.00 -1.06 0.00 0.00 42.46 36.76 2nef s ILE 133 CO 0.05 -1.36 1.28 -0.13 -0.10 0.00 0.00 174.94 174.68 2nef s ARG 134 N 3.02 4.04 0.31 2.79 0.52 -1.06 -4.86 118.95 123.70 2nef s ARG 134 Ca 0.22 1.40 -0.10 0.00 -0.52 0.00 0.00 55.73 56.73 2nef s ARG 134 Cb -0.15 -3.83 -0.07 0.00 0.52 0.00 0.00 34.95 31.42 2nef s ARG 134 CO 0.02 -0.96 0.65 0.71 0.02 0.00 0.00 175.30 175.73 2nef s TYR 135 N 4.04 3.43 -0.09 -0.53 1.51 -1.26 -3.12 117.35 121.33 2nef s TYR 135 Ca 0.55 0.96 -0.27 0.00 -1.01 0.00 0.00 57.07 57.31 2nef s TYR 135 Cb -0.18 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.30 2nef s TYR 135 CO 0.20 0.12 0.87 -1.25 -1.11 0.00 0.00 175.55 174.37 2nef s PRO 136 N -3.24 4.41 0.03 -1.71 0.04 -1.26 -2.71 135.00 130.57 2nef s PRO 136 Ca 0.49 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.40 2nef s PRO 136 Cb -0.11 -3.51 -0.17 0.00 0.04 0.00 0.00 34.50 30.75 2nef s PRO 136 CO 0.24 -0.17 1.37 -0.07 0.04 0.00 0.00 177.00 178.41 2nef h LEU 137 N 7.54 -0.60-10.12 -3.56 3.38 -1.73 -3.44 115.31 106.78 2nef h LEU 137 Ca -0.35 -0.05 -0.53 0.00 0.09 0.00 0.00 57.88 57.04 2nef h LEU 137 Cb 1.17 0.16 0.13 0.00 0.09 0.00 0.00 40.66 42.20 2nef h LEU 137 CO 0.80 -0.30 0.46 0.42 0.09 0.00 0.00 178.44 179.91 2nef s THR 138 N -5.23 2.48 0.40 0.22 -4.23 -1.26 -4.87 115.64 103.15 2nef s THR 138 Ca -0.15 0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.66 2nef s THR 138 Cb 0.03 -3.05 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 2nef s THR 138 CO 0.55 -0.08 0.59 0.12 -0.54 0.00 0.00 174.62 175.26 2nef s PHE 139 N -1.66 3.24 0.00 3.99 5.36 -1.26 -4.35 117.98 123.31 2nef s PHE 139 Ca 0.77 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.87 2nef s PHE 139 Cb -0.31 -2.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 2nef s PHE 139 CO 0.37 -0.17 0.00 0.41 -1.46 0.00 0.00 175.22 174.37 2nef n GLY 140 N -1.90 2.70 3.55 13.12 0.00 -1.26 -4.81 105.19 116.59 2nef n GLY 140 Ca -0.00 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 2nef n GLY 140 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2nef s TRP 141 N -0.86 2.20 -0.08 1.61 -0.00 -1.26 -3.56 118.94 116.99 2nef s TRP 141 Ca 0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 56.10 55.98 2nef s TRP 141 Cb 0.00 -4.48 -0.07 0.00 -0.00 0.00 0.00 33.47 28.91 2nef s TRP 141 CO 0.00 -2.02 2.71 0.00 -0.00 0.00 0.00 176.95 177.65 2nef s TYR 143 N 0.01 2.73 -0.06 0.00 2.02 -1.26 -1.74 117.35 119.04 2nef s TYR 143 Ca 0.35 -1.42 0.02 0.00 -0.37 0.00 0.00 57.07 55.66 2nef s TYR 143 Cb 0.19 -1.87 0.01 0.00 -0.40 0.00 0.00 41.96 39.90 2nef s TYR 143 CO -0.02 -0.67 -0.12 -1.59 -1.57 0.00 0.00 175.55 171.58 2nef s LYS 144 N 1.00 1.62 0.36 -0.62 -2.85 -1.17 -4.47 119.74 113.61 2nef s LYS 144 Ca -0.02 -0.40 -0.25 0.00 -1.00 0.00 0.00 55.97 54.31 2nef s LYS 144 Cb -0.15 -1.36 -0.10 0.00 -2.06 0.00 0.00 37.83 34.17 2nef s LYS 144 CO -0.06 0.03 0.97 -0.51 0.10 0.00 0.00 175.35 175.89 2nef s LEU 145 N 0.64 4.22 -0.21 2.77 1.43 -1.18 -1.09 118.68 125.25 2nef s LEU 145 Ca -0.14 1.86 -0.11 0.00 -1.03 0.00 0.00 54.13 54.71 2nef s LEU 145 Cb -0.15 -4.15 0.07 0.00 0.03 0.00 0.00 46.19 41.99 2nef s LEU 145 CO 0.03 -0.23 0.51 -0.69 0.23 0.00 0.00 176.35 176.21 2nef s VAL 146 N -1.73 -0.10 0.07 -1.59 1.01 -1.00 -2.56 120.40 114.50 2nef s VAL 146 Ca 0.54 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 2nef s VAL 146 Cb -0.18 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 2nef s VAL 146 CO 0.23 0.03 0.82 -2.16 0.00 0.00 0.00 175.10 174.01 2nef s PRO 147 N 1.63 4.56 0.00 2.72 0.04 -1.26 -3.12 135.00 139.57 2nef s PRO 147 Ca -0.09 1.18 0.19 0.00 0.04 0.00 0.00 61.00 62.32 2nef s PRO 147 Cb -0.08 -3.36 0.94 0.00 0.04 0.00 0.00 34.50 32.05 2nef s PRO 147 CO -0.15 0.29 1.63 0.28 0.04 0.00 0.00 177.00 179.08 2nef n VAL 148 N 2.71 0.08 -2.49 -0.36 0.31 -1.26 -4.85 118.33 112.48 2nef n VAL 148 Ca -0.01 -0.14 -0.34 0.00 -0.01 0.00 0.00 64.34 63.84 2nef n VAL 148 Cb 0.50 -0.03 -0.03 0.00 -0.91 0.00 0.00 33.84 33.37 2nef n VAL 148 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2nef s GLU 149 N -1.92 3.73 1.05 5.55 8.01 -1.26 -5.04 118.70 128.83 2nef s GLU 149 Ca 0.29 1.42 -0.15 0.00 0.01 0.00 0.00 54.97 56.54 2nef s GLU 149 Cb 0.14 -2.10 0.21 0.00 -4.31 0.00 0.00 34.13 28.08 2nef s GLU 149 CO 0.23 -0.50 1.12 -1.25 0.01 0.00 0.00 175.26 174.87 2nef s PRO 150 N -3.21 0.02 0.00 0.39 0.04 -1.26 -5.04 135.00 125.93 2nef s PRO 150 Ca 0.68 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2nef s PRO 150 Cb -0.18 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2nef s PRO 150 CO 0.22 -2.95 0.00 0.39 0.04 0.00 0.00 177.00 174.70 2nef n GLU 151 N -4.28 1.24 -2.02 4.56 -0.58 -1.26 -4.73 120.64 113.57 2nef n GLU 151 Ca 0.08 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.40 2nef n GLU 151 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.46 2nef n GLU 151 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2nef n LYS 152 N 0.00 3.34 -0.32 3.49 5.02 -1.26 -4.75 118.16 123.68 2nef n LYS 152 Ca 0.00 -3.07 -0.01 0.00 -2.02 0.00 0.00 58.31 53.21 2nef n LYS 152 Cb 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 35.03 31.95 2nef n LYS 152 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2nef n LEU 153 N 4.71 4.45 -4.55 -0.35 7.99 -1.26 -4.81 117.00 123.18 2nef n LEU 153 Ca 0.47 -2.08 -0.39 0.00 -0.01 0.00 0.00 56.01 54.00 2nef n LEU 153 Cb 0.36 -0.87 -0.03 0.00 -0.11 0.00 0.00 43.42 42.77 2nef n LEU 153 CO 0.85 0.81 1.37 -0.70 -1.51 0.00 0.00 177.39 178.21 2nef s GLU 154 N -0.09 3.01 0.00 3.23 2.12 -1.26 -4.14 118.70 121.56 2nef s GLU 154 Ca 0.02 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.25 2nef s GLU 154 Cb 0.01 -4.49 0.00 0.00 0.26 0.00 0.00 34.13 29.92 2nef s GLU 154 CO 0.00 -2.46 0.00 -1.91 -0.54 0.00 0.00 175.26 170.35 2nef n GLU 155 N 9.21 0.00 0.00 4.30 2.13 -1.26 -5.13 120.64 129.88 2nef n GLU 155 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2nef n GLU 155 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 2nef n GLU 155 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nef n ALA 156 N -0.19 0.00 -1.10 4.31 0.00 -1.26 -5.05 120.51 117.22 2nef n ALA 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2nef n ALA 156 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2nef n ALA 156 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2nef n ASN 157 N 0.00 0.00 -4.54 0.00 3.02 -1.26 -4.73 115.26 107.74 2nef n ASN 157 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 2nef n ASN 157 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 2nef n ASN 157 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2nef n LYS 158 N 0.00 0.41 -3.04 3.52 2.85 -1.26 -4.84 118.16 115.80 2nef n LYS 158 Ca 0.00 -0.64 -0.44 0.00 -1.05 0.00 0.00 58.31 56.18 2nef n LYS 158 Cb 0.00 -2.99 -0.04 0.00 -0.65 0.00 0.00 35.03 31.35 2nef n LYS 158 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2nef s ASP 174 N 8.00 6.24 -0.45 -5.58 2.15 -1.26 -4.85 116.67 120.93 2nef s ASP 174 Ca 1.03 -1.43 0.07 0.00 0.43 0.00 0.00 52.55 52.65 2nef s ASP 174 Cb -0.32 -2.34 0.31 0.00 -0.30 0.00 0.00 42.92 40.27 2nef s ASP 174 CO 0.21 -1.18 0.99 0.47 -0.17 0.00 0.00 175.17 175.50 2nef n ASP 175 N 6.62 -1.85 -3.08 -0.34 9.92 -1.26 -5.12 116.55 121.44 2nef n ASP 175 Ca -0.04 -3.49 0.00 0.00 -0.53 0.00 0.00 54.79 50.73 2nef n ASP 175 Cb 0.44 1.42 0.00 0.00 -0.64 0.00 0.00 41.12 42.34 2nef n ASP 175 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2nef n PRO 176 N 0.62 1.70 -2.50 -0.24 -0.04 -1.26 -4.88 135.00 128.41 2nef n PRO 176 Ca 0.10 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.17 2nef n PRO 176 Cb 0.67 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.10 2nef n PRO 176 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2nef s GLU 177 N 0.00 3.43 -0.32 0.54 1.03 -1.26 -4.95 118.70 117.18 2nef s GLU 177 Ca 0.00 -0.93 -0.29 0.00 0.03 0.00 0.00 54.97 53.78 2nef s GLU 177 Cb 0.00 -5.21 -0.00 0.00 -0.80 0.00 0.00 34.13 28.12 2nef s GLU 177 CO 0.00 -2.34 1.38 0.50 -1.33 0.00 0.00 175.26 173.47 2nef s ARG 178 N 5.30 3.81 0.73 -4.83 3.52 -1.26 -5.00 118.95 121.21 2nef s ARG 178 Ca 0.48 1.24 -0.11 0.00 -0.13 0.00 0.00 55.73 57.20 2nef s ARG 178 Cb -0.02 -3.94 0.03 0.00 -1.56 0.00 0.00 34.95 29.46 2nef s ARG 178 CO -0.06 -1.27 1.09 -1.21 -0.81 0.00 0.00 175.30 173.04 2nef s GLU 179 N 4.45 2.63 0.00 5.12 2.02 -1.26 -5.08 118.70 126.58 2nef s GLU 179 Ca 0.60 0.60 0.00 0.00 0.02 0.00 0.00 54.97 56.19 2nef s GLU 179 Cb -0.17 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.07 2nef s GLU 179 CO 0.26 -1.23 0.00 0.28 0.02 0.00 0.00 175.26 174.60 2nef n VAL 180 N -3.16 0.00 -5.05 2.63 0.31 -1.26 -4.91 118.33 106.89 2nef n VAL 180 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.08 2nef n VAL 180 Cb 0.56 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.35 2nef n VAL 180 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nef s LEU 181 N 0.00 2.44 0.00 7.52 1.43 -1.22 -4.53 118.68 124.31 2nef s LEU 181 Ca 0.00 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2nef s LEU 181 Cb 0.00 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2nef s LEU 181 CO 0.00 0.30 -0.06 -1.83 0.23 0.00 0.00 176.35 174.99 2nef s GLU 182 N -0.46 2.59 -0.42 1.70 -1.05 -1.18 0.33 118.70 120.20 2nef s GLU 182 Ca 0.05 -0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 53.88 2nef s GLU 182 Cb -0.12 -2.53 0.01 0.00 -0.44 0.00 0.00 34.13 31.05 2nef s GLU 182 CO 0.01 0.61 1.43 -1.58 0.95 0.00 0.00 175.26 176.69 2nef s TRP 183 N -1.00 2.35 -0.61 4.83 0.51 -1.13 -2.37 118.94 121.52 2nef s TRP 183 Ca 0.17 0.65 -0.20 0.00 -2.12 0.00 0.00 56.10 54.60 2nef s TRP 183 Cb -0.11 -4.31 0.08 0.00 -0.81 0.00 0.00 33.47 28.32 2nef s TRP 183 CO 0.08 -2.03 0.80 0.50 -0.51 0.00 0.00 176.95 175.79 2nef s ARG 184 N 5.04 3.09 0.26 4.98 6.06 -0.25 -0.29 118.95 137.84 2nef s ARG 184 Ca 0.61 -1.05 -0.30 0.00 -2.50 0.00 0.00 55.73 52.50 2nef s ARG 184 Cb -0.14 -4.23 -0.10 0.00 0.06 0.00 0.00 34.95 30.55 2nef s ARG 184 CO 0.32 -1.61 1.33 0.12 -2.50 0.00 0.00 175.30 172.97 2nef s PHE 185 N 3.25 3.14 -0.45 5.12 2.19 -1.26 -3.05 117.98 126.91 2nef s PHE 185 Ca 0.17 1.25 0.07 0.00 0.33 0.00 0.00 56.93 58.75 2nef s PHE 185 Cb -0.20 -3.67 0.29 0.00 -1.31 0.00 0.00 43.02 38.12 2nef s PHE 185 CO 0.09 -2.03 0.91 -3.47 1.83 0.00 0.00 175.22 172.56 2nef n ASP 186 N 1.90 -1.82 0.00 6.13 -0.08 -0.71 -4.97 116.55 116.99 2nef n ASP 186 Ca 0.04 -3.35 0.00 0.00 -1.51 0.00 0.00 54.79 49.97 2nef n ASP 186 Cb 0.42 1.25 0.00 0.00 2.34 0.00 0.00 41.12 45.13 2nef n ASP 186 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2nef n SER 187 N 0.93 0.00 -0.00 1.67 2.88 -1.26 -0.86 113.62 116.98 2nef n SER 187 Ca 0.11 0.11 0.05 0.00 -1.33 0.00 0.00 58.87 57.82 2nef n SER 187 Cb 0.65 -0.11 0.44 0.00 -0.75 0.00 0.00 64.21 64.44 2nef n SER 187 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2nef h ARG 188 N 0.00 0.50 0.00 -1.46 2.47 -1.93 0.31 114.38 114.27 2nef h ARG 188 Ca 0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2nef h ARG 188 Cb 0.69 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2nef h ARG 188 CO 0.00 0.33 0.00 1.28 0.56 0.00 0.00 179.97 182.14 2nef n LEU 189 N -4.48 0.00 0.00 3.04 4.77 -0.04 -2.28 117.00 118.01 2nef n LEU 189 Ca 0.04 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.13 2nef n LEU 189 Cb 0.10 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.85 2nef n LEU 189 CO 0.35 0.00 0.86 0.00 -1.33 0.00 0.00 177.39 177.27 2nef n ALA 190 N -0.85 2.39 -0.91 -1.18 0.00 0.11 -3.26 120.51 116.81 2nef n ALA 190 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2nef n ALA 190 Cb 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2nef n ALA 190 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2nef n PHE 191 N -0.96 0.00 -3.64 0.00 1.16 -0.97 -4.99 117.46 108.07 2nef n PHE 191 Ca 0.17 -0.03 -0.06 0.00 -1.87 0.00 0.00 57.45 55.66 2nef n PHE 191 Cb 0.08 -0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.87 2nef n PHE 191 CO 0.00 0.00 0.00 -3.38 -1.87 0.00 0.00 176.76 171.51 2nef s HIS 192 N -0.05 -1.01 -0.70 2.97 -3.43 -1.20 -5.10 115.29 106.76 2nef s HIS 192 Ca 0.00 1.80 -0.24 0.00 -0.80 0.00 0.00 55.06 55.81 2nef s HIS 192 Cb 0.00 0.48 0.05 0.00 -1.43 0.00 0.00 32.58 31.68 2nef s HIS 192 CO 0.00 -0.56 1.11 -3.38 -2.00 0.00 0.00 174.74 169.90 2nef s HIS 193 N 2.72 2.51 0.05 0.38 -3.43 -1.26 -4.70 115.29 111.55 2nef s HIS 193 Ca -0.02 -0.35 -0.15 0.00 -0.80 0.00 0.00 55.06 53.74 2nef s HIS 193 Cb -0.12 -4.44 -0.28 0.00 -1.43 0.00 0.00 32.58 26.30 2nef s HIS 193 CO -0.15 -1.84 1.11 1.98 -2.00 0.00 0.00 174.74 173.84 2nef h MET 194 N 9.76 0.63 -0.34 -0.38 4.05 -1.96 -3.18 114.93 123.52 2nef h MET 194 Ca -0.27 -0.81 0.10 0.00 -0.28 0.00 0.00 59.70 58.43 2nef h MET 194 Cb 1.06 0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 32.11 2nef h MET 194 CO 1.23 1.37 0.32 0.00 0.23 0.00 0.00 176.91 180.05 2nef h ALA 195 N 0.30 2.10 -0.20 0.39 0.00 -1.89 -1.00 119.26 118.96 2nef h ALA 195 Ca -0.18 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2nef h ALA 195 Cb 1.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2nef h ALA 195 CO 0.23 -0.49 -0.38 -0.09 0.00 0.00 0.00 179.25 178.52 2nef h ARG 196 N 0.00 0.61 -0.39 0.00 2.43 -1.80 0.12 114.38 115.36 2nef h ARG 196 Ca 0.16 -0.39 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 2nef h ARG 196 Cb 0.80 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2nef h ARG 196 CO -0.00 1.00 -0.12 0.93 -1.51 0.00 0.00 179.97 180.27 2nef h GLU 197 N 0.28 0.68 0.08 0.20 5.08 -1.29 -0.51 114.58 119.11 2nef h GLU 197 Ca 0.01 -0.22 -0.25 0.00 -1.00 0.00 0.00 59.36 57.90 2nef h GLU 197 Cb 0.97 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2nef h GLU 197 CO 0.08 0.78 -1.13 -0.07 -1.00 0.00 0.00 179.01 177.67 2nef h LEU 198 N 0.62 0.40 -6.04 1.33 3.38 -1.39 -3.40 115.31 110.21 2nef h LEU 198 Ca 0.11 -0.39 -0.54 0.00 0.09 0.00 0.00 57.88 57.15 2nef h LEU 198 Cb 0.56 -0.13 -0.36 0.00 0.09 0.00 0.00 40.66 40.82 2nef h LEU 198 CO 0.03 1.27 -1.00 1.41 0.09 0.00 0.00 178.44 180.25 2nef n HIS 199 N -3.58 -0.90 0.05 1.13 8.25 0.43 -4.95 115.22 115.65 2nef n HIS 199 Ca -0.07 -3.27 -0.13 0.00 -0.26 0.00 0.00 57.72 53.99 2nef n HIS 199 Cb 0.96 0.07 -0.14 0.00 1.12 0.00 0.00 29.99 32.00 2nef n HIS 199 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2nef h PRO 200 N 4.67 0.14 0.00 -0.41 0.13 -1.27 -3.31 132.00 131.94 2nef h PRO 200 Ca 0.13 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2nef h PRO 200 Cb 0.91 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2nef h PRO 200 CO 0.40 0.97 0.35 -0.85 -0.23 0.00 0.00 178.00 178.64 2nef n GLU 201 N -3.35 0.07 -0.04 0.86 0.28 -1.26 -0.95 120.64 116.25 2nef n GLU 201 Ca -0.13 0.51 -0.10 0.00 -0.16 0.00 0.00 57.16 57.28 2nef n GLU 201 Cb 1.02 -2.06 -0.09 0.00 1.43 0.00 0.00 31.44 31.74 2nef n GLU 201 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2nef h TYR 202 N 0.00 -0.04 -3.11 -1.84 -1.99 -1.96 -3.46 116.97 104.58 2nef h TYR 202 Ca 0.00 -0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.24 2nef h TYR 202 Cb 0.69 0.01 0.01 0.00 2.00 0.00 0.00 36.73 39.45 2nef h TYR 202 CO 0.00 0.60 -0.09 -0.06 -0.00 0.00 0.00 178.16 178.62 2nef s PHE 203 N -2.44 3.52 0.00 4.88 0.08 -0.12 -4.94 117.98 118.95 2nef s PHE 203 Ca -0.13 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.46 2nef s PHE 203 Cb -0.01 -2.06 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 2nef s PHE 203 CO 0.50 0.00 0.00 1.17 -0.10 0.00 0.00 175.22 176.79 2nef n LYS 204 N -1.82 0.00 0.00 0.44 4.81 -1.26 -4.92 118.16 115.41 2nef n LYS 204 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2nef n LYS 204 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 2nef n LYS 204 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2nef n ASN 205 N -0.54 0.00 -0.02 3.14 4.05 -1.26 -5.23 115.26 115.39 2nef n ASN 205 Ca 0.00 0.29 0.16 0.00 0.45 0.00 0.00 54.58 55.48 2nef n ASN 205 Cb 0.00 -0.09 0.93 0.00 1.23 0.00 0.00 39.78 41.84 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21