#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 -1.99 -3.32 115.95 115.71 2nef h TRP 57 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2nef h TRP 57 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2nef h TRP 57 CO 0.00 0.00 -0.00 1.25 -1.28 0.00 0.00 178.44 178.41 2nef h LEU 58 N 0.00 0.00 -5.39 0.11 5.85 -2.01 -3.36 115.31 110.51 2nef h LEU 58 Ca 0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.19 2nef h LEU 58 Cb 0.62 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.67 2nef h LEU 58 CO 0.00 0.18 3.10 -0.62 -0.34 0.00 0.00 178.44 180.76 2nef n GLU 59 N -3.02 2.70 -0.67 1.25 1.02 -1.25 -4.75 120.64 115.92 2nef n GLU 59 Ca -0.00 -1.84 -0.17 0.00 -0.02 0.00 0.00 57.16 55.13 2nef n GLU 59 Cb 0.00 -2.67 -0.04 0.00 -0.02 0.00 0.00 31.44 28.70 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nef n ALA 60 N 4.35 4.45 -1.00 0.62 0.00 -1.25 -4.65 120.51 123.03 2nef n ALA 60 Ca 0.58 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 52.35 2nef n ALA 60 Cb 0.21 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 16.88 2nef n ALA 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nef n GLN 61 N 3.75 0.00 0.00 0.00 6.02 -1.26 -4.90 117.38 120.99 2nef n GLN 61 Ca 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2nef n GLN 61 Cb 0.25 -0.44 0.00 0.00 1.02 0.00 0.00 30.24 31.07 2nef n GLN 61 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2nef n GLU 62 N -0.06 0.00 -0.68 -1.09 4.71 -1.26 -4.96 120.64 117.29 2nef n GLU 62 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.83 2nef n GLU 62 Cb 0.00 0.00 0.17 0.00 -1.01 0.00 0.00 31.44 30.60 2nef n GLU 62 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2nef n GLU 63 N 0.00 -1.39 -0.61 3.49 0.28 -1.26 -4.95 120.64 116.20 2nef n GLU 63 Ca 0.00 -0.38 -0.01 0.00 -0.16 0.00 0.00 57.16 56.61 2nef n GLU 63 Cb 0.00 -1.78 -0.01 0.00 1.43 0.00 0.00 31.44 31.08 2nef n GLU 63 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2nef n GLU 64 N -2.26 0.00 -3.24 3.44 0.28 -1.26 -4.86 120.64 112.74 2nef n GLU 64 Ca 0.02 -0.34 -0.39 0.00 -0.16 0.00 0.00 57.16 56.30 2nef n GLU 64 Cb 0.60 0.02 -0.06 0.00 1.43 0.00 0.00 31.44 33.43 2nef n GLU 64 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2nef s GLU 65 N 0.00 4.26 -1.03 3.44 -1.05 -1.26 -4.95 118.70 118.11 2nef s GLU 65 Ca 0.01 0.75 -0.22 0.00 -0.15 0.00 0.00 54.97 55.36 2nef s GLU 65 Cb 0.01 -3.28 0.07 0.00 -0.44 0.00 0.00 34.13 30.49 2nef s GLU 65 CO -0.00 0.54 1.42 0.08 0.95 0.00 0.00 175.26 178.24 2nef s VAL 66 N -0.78 4.08 -1.48 1.83 1.01 -1.26 -4.79 120.40 119.01 2nef s VAL 66 Ca 0.30 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.34 2nef s VAL 66 Cb -0.19 -5.02 0.12 0.00 0.00 0.00 0.00 36.38 31.28 2nef s VAL 66 CO 0.19 -1.87 1.04 0.61 0.00 0.00 0.00 175.10 175.06 2nef n GLY 67 N 6.52 -0.47 3.86 4.51 0.00 -1.26 -4.63 105.19 113.72 2nef n GLY 67 Ca 0.33 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 2nef n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nef s PHE 68 N -2.52 3.41 -0.91 1.61 0.40 -1.26 -4.90 117.98 113.80 2nef s PHE 68 Ca 0.06 1.11 -0.25 0.00 -0.60 0.00 0.00 56.93 57.25 2nef s PHE 68 Cb 0.04 -2.44 -0.22 0.00 0.51 0.00 0.00 43.02 40.91 2nef s PHE 68 CO 0.09 0.17 2.39 -2.30 0.70 0.00 0.00 175.22 176.27 2nef n PRO 69 N -0.21 0.00 -2.99 0.24 -0.02 -1.26 -4.86 135.00 125.89 2nef n PRO 69 Ca 0.02 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.10 2nef n PRO 69 Cb 0.53 -1.30 -0.05 0.00 -0.02 0.00 0.00 33.50 32.66 2nef n PRO 69 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2nef s VAL 70 N 6.90 4.79 -0.37 -1.45 1.01 -1.26 -5.02 120.40 124.99 2nef s VAL 70 Ca 1.24 1.60 -0.23 0.00 0.00 0.00 0.00 61.98 64.59 2nef s VAL 70 Cb -1.09 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 31.20 2nef s VAL 70 CO 0.46 0.34 0.80 0.42 0.00 0.00 0.00 175.10 177.12 2nef s THR 71 N 0.09 4.71 0.00 3.92 -4.23 -1.24 -5.05 115.64 113.84 2nef s THR 71 Ca 0.38 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.75 2nef s THR 71 Cb -0.20 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.41 2nef s THR 71 CO 0.22 -0.48 0.00 -0.81 -0.54 0.00 0.00 174.62 173.01 2nef n PRO 72 N 6.49 1.00 -1.51 3.99 -0.04 -1.26 -3.43 135.00 140.24 2nef n PRO 72 Ca 0.03 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.15 2nef n PRO 72 Cb 0.48 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.78 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 0.11 -3.22 0.54 6.02 -1.26 -4.75 117.38 114.82 2nef n GLN 73 Ca 0.00 -0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.67 2nef n GLN 73 Cb 0.00 -1.60 -0.03 0.00 1.02 0.00 0.00 30.24 29.63 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 6.85 4.99 -0.34 5.09 -7.23 -1.26 -4.94 120.40 123.56 2nef s VAL 74 Ca 1.30 0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 61.25 2nef s VAL 74 Cb -1.00 -3.75 -0.13 0.00 0.56 0.00 0.00 36.38 32.05 2nef s VAL 74 CO 0.48 -0.41 1.18 -2.65 -0.31 0.00 0.00 175.10 173.39 2nef n PRO 75 N -1.16 0.00 -1.64 4.82 -0.02 -1.26 -4.68 135.00 131.05 2nef n PRO 75 Ca -0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.14 2nef n PRO 75 Cb 0.54 -1.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.97 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 2.56 3.29 0.47 2.45 1.43 -1.26 -4.94 118.68 122.68 2nef s LEU 76 Ca 0.74 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 2nef s LEU 76 Cb -1.02 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.62 2nef s LEU 76 CO 0.53 -2.98 0.86 -0.13 0.23 0.00 0.00 176.35 174.86 2nef s ARG 77 N 8.17 3.79 -0.24 1.70 0.52 -1.26 -5.00 118.95 126.63 2nef s ARG 77 Ca 0.91 0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 56.46 2nef s ARG 77 Cb -0.15 -2.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.02 2nef s ARG 77 CO 0.21 -0.18 1.45 -1.25 0.02 0.00 0.00 175.30 175.55 2nef s PRO 78 N -4.13 3.92 -0.36 3.54 0.04 -1.26 -4.91 135.00 131.84 2nef s PRO 78 Ca 0.54 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 2nef s PRO 78 Cb -0.10 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 2nef s PRO 78 CO 0.35 -1.13 1.80 1.41 0.04 0.00 0.00 177.00 179.47 2nef s MET 79 N 4.29 3.26 0.34 4.56 1.75 -1.26 -4.97 119.30 127.27 2nef s MET 79 Ca 0.63 1.34 -0.11 0.00 -1.25 0.00 0.00 55.69 56.31 2nef s MET 79 Cb -0.22 -4.22 -0.07 0.00 2.84 0.00 0.00 34.83 33.17 2nef s MET 79 CO 0.25 -1.95 0.70 0.95 -0.65 0.00 0.00 175.02 174.32 2nef s THR 80 N 7.12 4.81 0.29 10.11 -4.23 -1.26 -4.87 115.64 127.61 2nef s THR 80 Ca 0.78 0.61 0.02 0.00 -1.18 0.00 0.00 61.69 61.93 2nef s THR 80 Cb -0.21 -3.68 0.29 0.00 1.34 0.00 0.00 72.50 70.24 2nef s THR 80 CO 0.32 -0.34 1.82 0.22 -0.54 0.00 0.00 174.62 176.11 2nef h TYR 81 N 1.78 1.12 -0.27 3.99 3.20 -1.93 2.78 116.97 127.64 2nef h TYR 81 Ca -0.47 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.45 2nef h TYR 81 Cb 1.18 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2nef h TYR 81 CO 0.61 0.41 0.18 -0.22 -1.64 0.00 0.00 178.16 177.49 2nef h LYS 82 N 0.94 0.28 -0.59 1.82 3.64 -1.95 -0.99 116.57 119.72 2nef h LYS 82 Ca 0.51 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.79 2nef h LYS 82 Cb 0.58 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2nef h LYS 82 CO -0.29 0.18 0.01 0.00 -2.27 0.00 0.00 179.45 177.09 2nef h ALA 83 N 1.84 0.90 -0.04 5.00 0.00 0.46 -0.94 119.26 126.48 2nef h ALA 83 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2nef h ALA 83 Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2nef h ALA 83 CO -0.02 0.65 0.03 0.00 0.00 0.00 0.00 179.25 179.91 2nef h ALA 84 N 1.06 0.05 -0.64 0.00 0.00 -0.15 0.22 119.26 119.79 2nef h ALA 84 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2nef h ALA 84 Cb 0.53 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2nef h ALA 84 CO 0.03 -0.45 0.19 0.28 0.00 0.00 0.00 179.25 179.29 2nef h VAL 85 N 0.04 1.24 0.15 0.00 2.07 -1.37 0.59 116.25 118.97 2nef h VAL 85 Ca 0.01 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2nef h VAL 85 Cb 0.01 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2nef h VAL 85 CO -0.00 0.33 -0.07 0.44 0.02 0.00 0.00 177.57 178.28 2nef h ASP 86 N 0.95 -0.17 -0.69 0.57 5.19 -0.67 -1.73 116.42 119.86 2nef h ASP 86 Ca 0.21 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 2nef h ASP 86 Cb 0.29 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.81 2nef h ASP 86 CO -0.01 0.01 0.36 0.25 -3.12 0.00 0.00 179.24 176.74 2nef h LEU 87 N -0.35 0.90 0.07 1.55 5.85 -0.28 0.24 115.31 123.29 2nef h LEU 87 Ca -0.02 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2nef h LEU 87 Cb 0.28 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2nef h LEU 87 CO 0.03 0.75 -0.33 0.77 -0.34 0.00 0.00 178.44 179.32 2nef h SER 88 N 1.00 -0.98 0.98 1.25 4.64 0.64 -1.35 113.55 119.73 2nef h SER 88 Ca 0.25 0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.64 2nef h SER 88 Cb 0.07 0.38 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2nef h SER 88 CO -0.04 -0.41 -0.21 0.45 -0.87 0.00 0.00 176.83 175.76 2nef h HIS 89 N -0.52 0.00 0.71 4.77 3.86 -1.07 -3.02 115.15 119.87 2nef h HIS 89 Ca 0.04 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2nef h HIS 89 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2nef h HIS 89 CO -0.32 0.21 -0.36 0.35 0.86 0.00 0.00 177.93 178.67 2nef h PHE 90 N 0.00 -0.94 0.00 2.45 3.57 0.17 -2.13 116.94 120.06 2nef h PHE 90 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2nef h PHE 90 Cb 0.76 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 2nef h PHE 90 CO 0.00 -0.57 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.38 2nef h LEU 91 N -0.98 0.00 0.28 0.59 3.38 -1.45 -1.31 115.31 115.82 2nef h LEU 91 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2nef h LEU 91 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2nef h LEU 91 CO 0.15 0.05 -0.14 0.50 0.09 0.00 0.00 178.44 179.10 2nef h LYS 92 N 0.00 -0.37 0.12 1.13 1.63 -1.26 0.13 116.57 117.96 2nef h LYS 92 Ca -0.00 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2nef h LYS 92 Cb 0.15 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 2nef h LYS 92 CO 0.01 -0.24 -0.06 1.49 -3.45 0.00 0.00 179.45 177.19 2nef h GLU 93 N -0.42 -0.16 0.08 1.90 4.57 -1.49 -3.37 114.58 115.70 2nef h GLU 93 Ca -0.04 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2nef h GLU 93 Cb 0.29 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2nef h GLU 93 CO 0.06 0.29 -0.04 0.87 -1.18 0.00 0.00 179.01 179.01 2nef h LYS 94 N -0.70 -0.11 -7.23 1.92 1.79 -1.38 -3.46 116.57 107.41 2nef h LYS 94 Ca -0.02 0.01 -0.46 0.00 -2.18 0.00 0.00 60.65 58.00 2nef h LYS 94 Cb 0.52 0.02 0.07 0.00 -1.58 0.00 0.00 32.23 31.27 2nef h LYS 94 CO 0.03 0.44 0.20 0.20 -1.08 0.00 0.00 179.45 179.24 2nef s GLY 95 N -3.46 1.68 -0.48 3.86 0.00 0.47 -4.99 107.32 104.40 2nef s GLY 95 Ca -0.14 -0.91 0.08 0.00 0.00 0.00 0.00 44.72 43.74 2nef s GLY 95 CO 0.55 -0.54 0.94 0.61 0.00 0.00 0.00 173.10 174.66 2nef n GLY 96 N -2.81 4.87 0.12 0.20 0.00 -1.23 -4.23 105.19 102.11 2nef n GLY 96 Ca 0.07 -2.40 -0.18 0.00 0.00 0.00 0.00 46.02 43.51 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 2.90 0.49 -9.55 0.99 5.85 -1.89 -3.42 115.31 110.67 2nef h LEU 97 Ca 0.14 -0.61 -0.59 0.00 0.84 0.00 0.00 57.88 57.66 2nef h LEU 97 Cb 0.76 -0.16 0.14 0.00 0.37 0.00 0.00 40.66 41.77 2nef h LEU 97 CO 0.73 1.50 -0.06 1.21 -0.34 0.00 0.00 178.44 181.47 2nef n GLU 98 N -3.53 0.99 -0.48 1.25 2.13 -1.26 -0.79 120.64 118.95 2nef n GLU 98 Ca -0.15 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2nef n GLU 98 Cb 1.05 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.90 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 1.43 0.07 3.67 8.31 0.00 0.30 -4.89 105.19 114.09 2nef n GLY 99 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 4.21 -0.43 0.99 2.96 0.03 -4.69 118.68 121.75 2nef s LEU 100 Ca 0.00 1.69 -0.27 0.00 -0.22 0.00 0.00 54.13 55.33 2nef s LEU 100 Cb 0.00 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2nef s LEU 100 CO 0.00 -0.67 2.09 -0.63 -1.32 0.00 0.00 176.35 175.82 2nef s ILE 101 N 2.92 3.21 -0.37 6.68 -1.09 -1.26 -1.49 121.20 129.80 2nef s ILE 101 Ca 0.53 0.17 -0.28 0.00 -2.23 0.00 0.00 60.65 58.85 2nef s ILE 101 Cb -0.22 -3.40 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2nef s ILE 101 CO 0.16 -0.33 1.97 -2.28 -1.23 0.00 0.00 174.94 173.23 2nef s HIS 102 N 9.39 1.56 0.00 3.97 5.65 1.02 -4.88 115.29 132.00 2nef s HIS 102 Ca 0.86 0.75 0.00 0.00 0.25 0.00 0.00 55.06 56.93 2nef s HIS 102 Cb -0.20 -4.01 0.00 0.00 -1.18 0.00 0.00 32.58 27.19 2nef s HIS 102 CO 0.28 -3.03 0.25 0.43 -0.65 0.00 0.00 174.74 172.03 2nef n SER 103 N 11.70 0.00 0.00 9.88 7.64 -1.26 -2.53 113.62 139.05 2nef n SER 103 Ca 0.26 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2nef n SER 103 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2nef n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nef n GLN 104 N -0.42 0.00 0.01 1.43 6.02 -1.26 -4.36 117.38 118.80 2nef n GLN 104 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 2nef n GLN 104 Cb 0.00 0.00 0.25 0.00 1.02 0.00 0.00 30.24 31.51 2nef n GLN 104 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2nef n ARG 105 N -0.36 0.01 -0.09 -1.09 5.12 -1.26 -2.67 116.66 116.32 2nef n ARG 105 Ca 0.00 0.33 0.25 0.00 -1.93 0.00 0.00 57.85 56.50 2nef n ARG 105 Cb 0.00 -1.53 0.72 0.00 -1.16 0.00 0.00 32.46 30.49 2nef n ARG 105 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2nef h ARG 106 N 0.00 0.00 -0.69 5.56 2.43 -1.96 0.47 114.38 120.19 2nef h ARG 106 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2nef h ARG 106 Cb 0.19 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2nef h ARG 106 CO 0.00 0.00 0.23 0.37 -1.51 0.00 0.00 179.97 179.06 2nef h GLN 107 N 0.00 1.05 -0.87 0.20 4.15 -1.91 -2.31 115.11 115.42 2nef h GLN 107 Ca 0.34 -0.21 0.02 0.00 0.77 0.00 0.00 58.65 59.57 2nef h GLN 107 Cb 1.44 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.92 2nef h GLN 107 CO -0.00 0.89 0.57 -0.44 -1.93 0.00 0.00 178.83 177.92 2nef h ASP 108 N 1.02 0.98 -0.84 -0.69 5.19 -0.29 -1.62 116.42 120.17 2nef h ASP 108 Ca 0.23 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 2nef h ASP 108 Cb 0.27 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.50 2nef h ASP 108 CO -0.01 0.70 0.52 0.40 -3.12 0.00 0.00 179.24 177.73 2nef h ILE 109 N 1.15 1.23 0.61 0.35 5.03 -1.32 0.16 117.51 124.73 2nef h ILE 109 Ca 0.33 -0.48 -0.03 0.00 -0.12 0.00 0.00 64.86 64.56 2nef h ILE 109 Cb -0.09 0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 33.73 2nef h ILE 109 CO -0.08 0.23 -0.41 0.25 -0.68 0.00 0.00 178.15 177.46 2nef h LEU 110 N 1.14 -1.04 -0.80 1.44 5.85 -0.93 0.41 115.31 121.39 2nef h LEU 110 Ca 0.30 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.16 2nef h LEU 110 Cb -0.07 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 2nef h LEU 110 CO -0.06 -0.61 0.46 0.44 -0.34 0.00 0.00 178.44 178.33 2nef h ASP 111 N -0.97 0.69 -0.56 1.25 5.19 -1.26 -1.85 116.42 118.91 2nef h ASP 111 Ca -0.08 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 2nef h ASP 111 Cb 0.78 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 2nef h ASP 111 CO 0.06 0.42 0.22 0.25 -3.12 0.00 0.00 179.24 177.07 2nef h LEU 112 N 0.81 0.77 -0.63 1.55 5.85 -0.41 -2.57 115.31 120.69 2nef h LEU 112 Ca 0.37 -0.17 0.12 0.00 0.84 0.00 0.00 57.88 59.03 2nef h LEU 112 Cb 0.27 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 2nef h LEU 112 CO -0.21 0.74 0.15 -0.25 -0.34 0.00 0.00 178.44 178.52 2nef h TRP 113 N 0.76 0.24 -0.73 1.25 7.01 0.66 0.30 115.95 125.45 2nef h TRP 113 Ca 0.18 0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.26 2nef h TRP 113 Cb 0.21 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.22 2nef h TRP 113 CO 0.01 -0.03 0.48 0.82 -2.79 0.00 0.00 178.44 176.93 2nef h ILE 114 N 0.28 1.09 0.54 2.65 2.04 -1.16 -2.86 117.51 120.09 2nef h ILE 114 Ca 0.33 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 2nef h ILE 114 Cb 0.50 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2nef h ILE 114 CO -0.41 0.16 -0.26 0.22 0.00 0.00 0.00 178.15 177.85 2nef h TYR 115 N 0.85 -0.68 0.00 1.37 3.20 -0.14 -0.64 116.97 120.93 2nef h TYR 115 Ca 0.29 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2nef h TYR 115 Cb 0.10 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2nef h TYR 115 CO -0.00 -0.42 0.00 0.72 -1.64 0.00 0.00 178.16 176.82 2nef n HIS 116 N -4.28 0.00 0.00 -3.82 8.25 -0.72 -1.87 115.22 112.79 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 0.29 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.47 0.00 0.73 1.59 -2.24 -1.01 -3.65 114.28 109.24 2nef n THR 117 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2nef n THR 117 Cb 0.00 -0.19 0.45 0.00 -2.10 0.00 0.00 70.33 68.49 2nef n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nef n GLN 118 N -0.54 0.19 -1.19 -0.78 6.02 -0.36 -4.73 117.38 115.98 2nef n GLN 118 Ca 0.00 0.14 -0.07 0.00 -0.01 0.00 0.00 57.00 57.07 2nef n GLN 118 Cb 0.00 -1.71 -0.03 0.00 1.02 0.00 0.00 30.24 29.52 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nef n GLY 119 N 1.37 0.83 3.75 1.08 0.00 -0.51 -4.67 105.19 107.04 2nef n GLY 119 Ca 0.06 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.04 3.40 0.11 1.61 2.02 -1.25 -4.79 117.35 116.41 2nef s TYR 120 Ca 0.00 1.51 -0.29 0.00 -0.37 0.00 0.00 57.07 57.92 2nef s TYR 120 Cb 0.00 -3.43 -0.06 0.00 -0.40 0.00 0.00 41.96 38.07 2nef s TYR 120 CO 0.00 -1.13 0.93 0.12 -1.57 0.00 0.00 175.55 173.91 2nef s PHE 121 N -0.68 3.81 0.00 2.71 2.19 -1.26 -4.44 117.98 120.31 2nef s PHE 121 Ca 0.49 1.76 -0.02 0.00 0.33 0.00 0.00 56.93 59.49 2nef s PHE 121 Cb -0.34 -3.02 -0.11 0.00 -1.31 0.00 0.00 43.02 38.24 2nef s PHE 121 CO 0.42 0.23 2.38 -0.35 1.83 0.00 0.00 175.22 179.73 2nef n PRO 122 N 2.70 1.25 -0.08 10.12 -0.04 -1.26 -4.30 135.00 143.39 2nef n PRO 122 Ca 0.01 -0.41 0.08 0.00 -0.04 0.00 0.00 63.50 63.14 2nef n PRO 122 Cb 0.49 -1.49 0.31 0.00 -0.04 0.00 0.00 33.50 32.77 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 2.07 1.13 -0.01 3.54 5.75 -1.26 -3.44 116.55 124.33 2nef n ASP 123 Ca 0.18 -1.75 0.08 0.00 -0.01 0.00 0.00 54.79 53.29 2nef n ASP 123 Cb 0.59 -0.10 -0.14 0.00 -1.03 0.00 0.00 41.12 40.45 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 2nef n TRP 124 N 0.01 0.00 -2.49 2.11 4.27 -1.26 -4.87 117.44 115.21 2nef n TRP 124 Ca 0.13 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.32 2nef n TRP 124 Cb 0.22 -0.41 -0.02 0.00 -1.36 0.00 0.00 31.31 29.73 2nef n TRP 124 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2nef s GLN 125 N -3.20 3.42 -0.45 -2.67 -0.44 -1.22 -4.55 119.66 110.55 2nef s GLN 125 Ca -0.06 0.36 0.07 0.00 -2.50 0.00 0.00 55.36 53.22 2nef s GLN 125 Cb 0.11 -4.06 0.18 0.00 -1.64 0.00 0.00 33.01 27.60 2nef s GLN 125 CO 0.73 -1.80 0.65 -0.80 0.50 0.00 0.00 175.29 174.57 2nef s ASN 126 N 3.64 -1.30 0.00 6.67 0.01 -1.26 -5.11 114.94 117.58 2nef s ASN 126 Ca 0.48 -1.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.41 2nef s ASN 126 Cb -0.09 1.82 0.00 0.00 0.41 0.00 0.00 41.25 43.39 2nef s ASN 126 CO 0.25 -0.13 0.00 -1.22 -1.51 0.00 0.00 177.10 174.49 2nef n TYR 127 N 3.84 -0.25 -3.50 2.20 4.01 -1.26 -2.77 117.16 119.42 2nef n TYR 127 Ca 0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.75 2nef n TYR 127 Cb 0.56 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.55 2nef n TYR 127 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2nef s THR 128 N 0.00 0.00 -0.54 -0.72 -1.32 -1.13 -4.57 115.64 107.36 2nef s THR 128 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 2nef s THR 128 Cb 0.00 -1.00 -0.14 0.00 -1.51 0.00 0.00 72.50 69.85 2nef s THR 128 CO 0.00 0.00 1.68 -2.65 -2.21 0.00 0.00 174.62 171.44 2nef n PRO 129 N 0.29 0.00 -2.74 7.08 -0.02 -1.26 -4.39 135.00 133.96 2nef n PRO 129 Ca -0.15 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.28 2nef n PRO 129 Cb 0.60 -1.02 0.03 0.00 -0.02 0.00 0.00 33.50 33.10 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 4.69 -0.46 3.36 -1.23 0.00 -1.26 -4.95 105.19 105.35 2nef n GLY 130 Ca 0.42 0.41 -0.40 0.00 0.00 0.00 0.00 46.02 46.45 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 2.23 0.26 0.00 1.61 -0.02 -1.26 -2.80 135.00 135.02 2nef n PRO 131 Ca 0.12 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2nef n PRO 131 Cb 0.61 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 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 2.12 0.01 3.39 -1.23 0.00 -1.26 -4.53 105.19 103.69 2nef n GLY 132 Ca 0.10 0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 4.90 -0.19 -0.61 -1.09 -1.17 -3.87 121.20 119.17 2nef s ILE 133 Ca 0.00 -1.32 -0.27 0.00 -2.23 0.00 0.00 60.65 56.83 2nef s ILE 133 Cb 0.00 -4.56 -0.00 0.00 -1.58 0.00 0.00 42.46 36.32 2nef s ILE 133 CO 0.00 -1.21 0.95 -0.13 -1.23 0.00 0.00 174.94 173.32 2nef s ARG 134 N 2.36 4.29 0.10 2.79 0.52 -1.12 -4.60 118.95 123.29 2nef s ARG 134 Ca 0.17 1.22 -0.03 0.00 -0.52 0.00 0.00 55.73 56.57 2nef s ARG 134 Cb -0.18 -3.60 -0.05 0.00 0.52 0.00 0.00 34.95 31.64 2nef s ARG 134 CO 0.01 -0.47 0.31 0.71 0.02 0.00 0.00 175.30 175.88 2nef s TYR 135 N 2.63 3.50 -0.08 -0.53 1.51 -1.26 -3.43 117.35 119.69 2nef s TYR 135 Ca 0.42 0.46 -0.19 0.00 -1.01 0.00 0.00 57.07 56.75 2nef s TYR 135 Cb -0.16 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 2nef s TYR 135 CO 0.10 0.50 0.52 -1.25 -1.11 0.00 0.00 175.55 174.32 2nef s PRO 136 N -2.52 4.31 -0.03 -1.71 0.04 -1.26 -2.84 135.00 131.00 2nef s PRO 136 Ca 0.38 0.56 -0.22 0.00 0.04 0.00 0.00 61.00 61.76 2nef s PRO 136 Cb -0.13 -3.40 -0.15 0.00 0.04 0.00 0.00 34.50 30.87 2nef s PRO 136 CO 0.25 0.24 0.96 -0.07 0.04 0.00 0.00 177.00 178.42 2nef h LEU 137 N 6.30 -0.29-10.17 -3.56 3.38 -1.76 -3.42 115.31 105.79 2nef h LEU 137 Ca -0.43 -0.24 -0.53 0.00 0.09 0.00 0.00 57.88 56.77 2nef h LEU 137 Cb 1.19 0.07 0.15 0.00 0.09 0.00 0.00 40.66 42.16 2nef h LEU 137 CO 0.73 0.19 0.40 0.42 0.09 0.00 0.00 178.44 180.26 2nef s THR 138 N -3.83 2.45 0.30 0.22 -4.23 -1.26 -4.75 115.64 104.54 2nef s THR 138 Ca -0.13 0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.64 2nef s THR 138 Cb 0.01 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.02 2nef s THR 138 CO 0.46 -0.11 0.46 0.12 -0.54 0.00 0.00 174.62 175.01 2nef s PHE 139 N -1.99 3.41 0.00 3.99 5.36 -1.26 -4.43 117.98 123.06 2nef s PHE 139 Ca 0.74 0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 2nef s PHE 139 Cb -0.28 -1.78 0.00 0.00 -0.34 0.00 0.00 43.02 40.62 2nef s PHE 139 CO 0.44 0.22 0.00 0.41 -1.46 0.00 0.00 175.22 174.83 2nef n GLY 140 N -1.61 2.85 3.56 13.12 0.00 -1.26 -4.93 105.19 116.91 2nef n GLY 140 Ca -0.06 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.13 2.15 -1.41 1.61 -0.00 -1.26 -3.84 118.94 115.06 2nef s TRP 141 Ca 0.00 0.32 -0.08 0.00 -0.00 0.00 0.00 56.10 56.35 2nef s TRP 141 Cb 0.00 -4.43 0.01 0.00 -0.00 0.00 0.00 33.47 29.05 2nef s TRP 141 CO 0.00 -2.09 2.71 0.00 -0.00 0.00 0.00 176.95 177.58 2nef s TYR 143 N 0.49 2.74 -0.19 0.00 1.13 -1.26 -2.60 117.35 117.66 2nef s TYR 143 Ca 0.62 -1.08 -0.02 0.00 -1.41 0.00 0.00 57.07 55.18 2nef s TYR 143 Cb 0.19 -1.86 0.06 0.00 -1.10 0.00 0.00 41.96 39.25 2nef s TYR 143 CO -0.08 -0.48 0.01 0.15 -2.51 0.00 0.00 175.55 172.64 2nef s LYS 144 N 0.75 0.90 0.38 -3.49 1.02 -1.15 -4.51 119.74 113.64 2nef s LYS 144 Ca -0.07 -0.50 -0.24 0.00 0.02 0.00 0.00 55.97 55.18 2nef s LYS 144 Cb -0.16 -2.12 -0.10 0.00 -0.52 0.00 0.00 37.83 34.94 2nef s LYS 144 CO 0.01 -0.59 0.97 -0.51 -0.92 0.00 0.00 175.35 174.31 2nef s LEU 145 N 1.76 4.13 -0.22 3.17 1.43 -1.22 -1.67 118.68 126.06 2nef s LEU 145 Ca -0.01 1.83 -0.19 0.00 -1.03 0.00 0.00 54.13 54.73 2nef s LEU 145 Cb -0.17 -4.26 0.06 0.00 0.03 0.00 0.00 46.19 41.85 2nef s LEU 145 CO -0.07 -0.30 0.58 -0.69 0.23 0.00 0.00 176.35 176.10 2nef s VAL 146 N -1.84 -0.00 0.67 -1.59 1.01 -1.12 -2.90 120.40 114.62 2nef s VAL 146 Ca 0.57 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.43 2nef s VAL 146 Cb -0.16 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 2nef s VAL 146 CO 0.21 0.00 1.06 -2.16 0.00 0.00 0.00 175.10 174.21 2nef s PRO 147 N 0.55 3.02 0.00 2.72 0.04 -1.26 -2.56 135.00 137.52 2nef s PRO 147 Ca -0.02 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2nef s PRO 147 Cb -0.05 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2nef s PRO 147 CO -0.03 -1.04 0.00 0.28 0.04 0.00 0.00 177.00 176.26 2nef n VAL 148 N -2.79 0.00 -2.83 -0.36 0.31 -1.26 -4.95 118.33 106.45 2nef n VAL 148 Ca 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.30 2nef n VAL 148 Cb 0.53 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.49 2nef n VAL 148 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2nef n GLU 149 N 0.00 0.77 0.00 5.55 1.02 -1.26 -4.99 120.64 121.72 2nef n GLU 149 Ca 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 57.16 55.12 2nef n GLU 149 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2nef n GLU 149 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2nef n PRO 150 N 1.61 0.90 -1.65 3.49 -0.04 -1.26 -4.81 135.00 133.24 2nef n PRO 150 Ca 0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.28 2nef n PRO 150 Cb 0.61 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.83 2nef n PRO 150 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2nef s GLU 151 N -1.56 2.03 0.00 0.54 0.41 -1.26 -4.87 118.70 113.99 2nef s GLU 151 Ca 0.00 0.93 0.00 0.00 -0.41 0.00 0.00 54.97 55.49 2nef s GLU 151 Cb 0.00 -4.65 0.00 0.00 -1.78 0.00 0.00 34.13 27.70 2nef s GLU 151 CO 0.00 -3.58 0.00 1.63 -0.49 0.00 0.00 175.26 172.82 2nef n LYS 152 N 8.97 0.00 -2.85 1.61 5.02 -1.26 -4.98 118.16 124.67 2nef n LYS 152 Ca 0.38 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.35 2nef n LYS 152 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.46 2nef n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nef s LEU 153 N 0.00 3.91 0.20 -0.35 1.02 -1.26 -4.94 118.68 117.25 2nef s LEU 153 Ca 0.00 1.47 0.25 0.00 0.02 0.00 0.00 54.13 55.87 2nef s LEU 153 Cb 0.00 -4.33 0.90 0.00 0.02 0.00 0.00 46.19 42.78 2nef s LEU 153 CO 0.00 -0.36 1.75 -0.62 0.02 0.00 0.00 176.35 177.14 2nef n GLU 154 N -0.81 0.20 -2.32 1.70 -0.58 -1.26 -4.42 120.64 113.15 2nef n GLU 154 Ca 0.05 0.27 -0.35 0.00 -0.42 0.00 0.00 57.16 56.71 2nef n GLU 154 Cb 0.54 -1.79 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2nef n GLU 154 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2nef s GLU 155 N -3.16 3.23 -0.22 3.49 -6.30 -1.26 -4.82 118.70 109.65 2nef s GLU 155 Ca 0.08 -1.50 -0.27 0.00 -2.50 0.00 0.00 54.97 50.78 2nef s GLU 155 Cb 0.12 -5.38 0.11 0.00 0.00 0.00 0.00 34.13 28.98 2nef s GLU 155 CO 0.50 -3.09 0.96 0.00 0.02 0.00 0.00 175.26 173.65 2nef s ALA 156 N 7.60 -1.92 0.74 6.30 0.00 -1.26 -5.16 121.76 128.06 2nef s ALA 156 Ca 0.61 1.74 -0.12 0.00 0.00 0.00 0.00 51.96 54.19 2nef s ALA 156 Cb 0.01 -1.04 0.04 0.00 0.00 0.00 0.00 23.12 22.13 2nef s ALA 156 CO 0.09 -0.28 1.10 -0.80 0.00 0.00 0.00 175.76 175.87 2nef s ASN 157 N -0.34 4.67 -0.57 0.00 0.01 -1.26 -4.92 114.94 112.52 2nef s ASN 157 Ca -0.00 1.90 -0.28 0.00 -0.71 0.00 0.00 52.86 53.77 2nef s ASN 157 Cb -0.03 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 39.11 2nef s ASN 157 CO -0.01 -1.93 1.37 -0.75 -1.51 0.00 0.00 177.10 174.27 2nef s LYS 158 N -4.60 3.33 -0.26 -0.60 2.20 -1.26 -4.93 119.74 113.62 2nef s LYS 158 Ca 0.63 0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 56.62 2nef s LYS 158 Cb -0.19 -4.11 0.13 0.00 -1.51 0.00 0.00 37.83 32.15 2nef s LYS 158 CO 0.51 -1.91 0.33 0.16 -0.36 0.00 0.00 175.35 174.08 2nef s ASP 174 N 4.18 0.91 -0.49 1.43 -4.77 -1.26 -5.07 116.67 111.60 2nef s ASP 174 Ca 0.50 -0.25 0.06 0.00 -3.30 0.00 0.00 52.55 49.57 2nef s ASP 174 Cb -0.10 0.79 0.19 0.00 -1.09 0.00 0.00 42.92 42.71 2nef s ASP 174 CO 0.25 -0.34 0.64 0.47 0.70 0.00 0.00 175.17 176.89 2nef n ASP 175 N 5.34 -2.60 -2.59 2.11 9.92 -1.26 -5.15 116.55 122.31 2nef n ASP 175 Ca -0.03 -2.81 0.00 0.00 -0.53 0.00 0.00 54.79 51.42 2nef n ASP 175 Cb 0.49 1.14 0.00 0.00 -0.64 0.00 0.00 41.12 42.11 2nef n ASP 175 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2nef n PRO 176 N 2.76 2.18 -1.41 -0.24 -0.02 -1.26 -4.59 135.00 132.42 2nef n PRO 176 Ca 0.20 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 2nef n PRO 176 Cb 0.55 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.01 2nef n PRO 176 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nef n GLU 177 N 0.00 3.06 -2.40 -0.52 2.13 -1.26 -4.83 120.64 116.82 2nef n GLU 177 Ca 0.00 -2.26 -0.42 0.00 0.66 0.00 0.00 57.16 55.13 2nef n GLU 177 Cb 0.00 -2.97 -0.00 0.00 0.27 0.00 0.00 31.44 28.74 2nef n GLU 177 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2nef n ARG 178 N 4.89 3.05 -0.24 5.31 0.63 -1.26 -4.78 116.66 124.27 2nef n ARG 178 Ca 0.63 -3.11 0.00 0.00 -0.92 0.00 0.00 57.85 54.45 2nef n ARG 178 Cb 0.30 -3.47 0.00 0.00 0.45 0.00 0.00 32.46 29.74 2nef n ARG 178 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2nef n GLU 179 N 7.98 0.81 -2.76 -0.14 4.07 -1.26 -4.76 120.64 124.59 2nef n GLU 179 Ca 0.49 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.17 2nef n GLU 179 Cb 0.45 -1.09 -0.03 0.00 -0.06 0.00 0.00 31.44 30.70 2nef n GLU 179 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2nef s VAL 180 N 0.29 4.18 0.42 6.31 1.01 -1.26 -4.86 120.40 126.50 2nef s VAL 180 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.71 2nef s VAL 180 Cb 0.00 -4.79 -0.05 0.00 0.00 0.00 0.00 36.38 31.53 2nef s VAL 180 CO 0.00 -1.61 0.13 -0.76 0.00 0.00 0.00 175.10 172.85 2nef s LEU 181 N 4.42 2.97 0.17 3.92 1.43 -1.05 -4.77 118.68 125.77 2nef s LEU 181 Ca 0.29 -1.21 0.10 0.00 -1.03 0.00 0.00 54.13 52.27 2nef s LEU 181 Cb -0.12 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2nef s LEU 181 CO 0.07 -0.56 -0.16 -1.83 0.23 0.00 0.00 176.35 174.10 2nef s GLU 182 N -3.86 1.82 -0.43 1.70 -1.05 -1.06 0.34 118.70 116.16 2nef s GLU 182 Ca 0.37 -1.32 -0.28 0.00 -0.15 0.00 0.00 54.97 53.59 2nef s GLU 182 Cb 0.05 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.69 2nef s GLU 182 CO 0.20 0.44 1.52 -1.58 0.95 0.00 0.00 175.26 176.79 2nef s TRP 183 N -1.53 2.21 -0.90 4.83 0.51 -0.55 -2.79 118.94 120.72 2nef s TRP 183 Ca 0.22 0.63 -0.15 0.00 -2.12 0.00 0.00 56.10 54.68 2nef s TRP 183 Cb -0.09 -4.28 0.20 0.00 -0.81 0.00 0.00 33.47 28.49 2nef s TRP 183 CO 0.12 -2.20 0.92 0.50 -0.51 0.00 0.00 176.95 175.78 2nef s ARG 184 N 5.32 3.69 0.33 4.98 6.06 -0.67 0.11 118.95 138.77 2nef s ARG 184 Ca 0.64 -2.38 -0.29 0.00 -2.50 0.00 0.00 55.73 51.20 2nef s ARG 184 Cb -0.15 -4.59 -0.10 0.00 0.06 0.00 0.00 34.95 30.17 2nef s ARG 184 CO 0.31 -1.42 1.30 0.12 -2.50 0.00 0.00 175.30 173.10 2nef s PHE 185 N 0.69 3.08 -0.46 5.12 5.36 -1.26 -2.94 117.98 127.56 2nef s PHE 185 Ca 0.24 1.43 0.07 0.00 -0.96 0.00 0.00 56.93 57.70 2nef s PHE 185 Cb -0.08 -3.66 0.24 0.00 -0.34 0.00 0.00 43.02 39.17 2nef s PHE 185 CO -0.09 -1.79 0.74 -3.47 -1.46 0.00 0.00 175.22 169.15 2nef n ASP 186 N 0.85 -1.82 0.06 6.13 -0.08 -1.07 -4.97 116.55 115.65 2nef n ASP 186 Ca 0.00 -3.05 0.01 0.00 -1.51 0.00 0.00 54.79 50.24 2nef n ASP 186 Cb 0.42 0.92 0.04 0.00 2.34 0.00 0.00 41.12 44.84 2nef n ASP 186 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2nef n SER 187 N 1.68 0.04 0.32 1.67 3.41 -1.26 -0.19 113.62 119.29 2nef n SER 187 Ca 0.14 0.18 0.20 0.00 -0.26 0.00 0.00 58.87 59.14 2nef n SER 187 Cb 0.59 -0.12 1.05 0.00 -0.26 0.00 0.00 64.21 65.47 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2nef h ARG 188 N 0.00 0.00 0.00 4.33 2.43 -1.93 -0.03 114.38 119.18 2nef h ARG 188 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2nef h ARG 188 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2nef h ARG 188 CO 0.00 0.01 0.00 -0.11 -1.51 0.00 0.00 179.97 178.36 2nef n LEU 189 N -3.20 0.00 0.00 3.80 0.00 0.74 -1.12 117.00 117.22 2nef n LEU 189 Ca -0.02 0.26 0.10 0.00 0.00 0.00 0.00 56.01 56.35 2nef n LEU 189 Cb 0.13 -0.26 0.47 0.00 0.00 0.00 0.00 43.42 43.76 2nef n LEU 189 CO 0.23 -0.24 0.83 0.00 0.00 0.00 0.00 177.39 178.21 2nef n ALA 190 N -1.26 1.99 -2.58 1.96 0.00 -0.02 -3.17 120.51 117.43 2nef n ALA 190 Ca 0.01 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.40 2nef n ALA 190 Cb 0.02 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.16 2nef n ALA 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2nef n PHE 191 N -1.42 0.30 -2.92 0.00 3.72 -0.28 -4.97 117.46 111.89 2nef n PHE 191 Ca 0.07 -0.92 -0.09 0.00 -0.05 0.00 0.00 57.45 56.45 2nef n PHE 191 Cb 0.21 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2nef s HIS 192 N -0.96 -0.98 -1.12 1.38 2.46 -1.19 -5.06 115.29 109.82 2nef s HIS 192 Ca 0.31 -0.97 -0.23 0.00 0.47 0.00 0.00 55.06 54.65 2nef s HIS 192 Cb 0.36 0.03 -0.08 0.00 -0.13 0.00 0.00 32.58 32.76 2nef s HIS 192 CO -0.13 -1.17 1.94 -3.38 -2.47 0.00 0.00 174.74 169.52 2nef s HIS 193 N 0.70 1.93 -0.12 3.88 -3.43 -1.26 -4.71 115.29 112.28 2nef s HIS 193 Ca 0.30 0.49 -0.10 0.00 -0.80 0.00 0.00 55.06 54.95 2nef s HIS 193 Cb 0.01 -4.02 -0.09 0.00 -1.43 0.00 0.00 32.58 27.05 2nef s HIS 193 CO -0.08 -1.33 0.26 1.98 -2.00 0.00 0.00 174.74 173.56 2nef h MET 194 N 10.07 0.00 0.00 -0.38 4.05 -1.95 -3.27 114.93 123.44 2nef h MET 194 Ca 0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 2nef h MET 194 Cb 0.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2nef h MET 194 CO 1.22 0.36 0.51 0.00 0.23 0.00 0.00 176.91 179.23 2nef h ALA 195 N -0.65 1.46 0.12 0.39 0.00 -1.84 -0.01 119.26 118.73 2nef h ALA 195 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2nef h ALA 195 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2nef h ALA 195 CO -0.00 -0.46 -0.06 -0.09 0.00 0.00 0.00 179.25 178.64 2nef h ARG 196 N 0.00 -0.16 0.00 0.00 1.12 -1.85 -2.17 114.38 111.33 2nef h ARG 196 Ca 0.00 0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 58.82 2nef h ARG 196 Cb 1.03 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.01 2nef h ARG 196 CO 0.00 0.33 -0.29 0.93 -3.11 0.00 0.00 179.97 177.82 2nef h GLU 197 N -0.83 0.00 0.04 0.20 5.08 -1.11 -2.43 114.58 115.52 2nef h GLU 197 Ca -0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 2nef h GLU 197 Cb 0.55 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.82 2nef h GLU 197 CO 0.03 0.29 -0.89 -0.07 -1.00 0.00 0.00 179.01 177.37 2nef h LEU 198 N 0.00 0.71 -6.39 1.33 4.07 -1.47 -3.41 115.31 110.15 2nef h LEU 198 Ca -0.00 -0.79 -0.59 0.00 0.08 0.00 0.00 57.88 56.58 2nef h LEU 198 Cb 0.65 -0.22 -0.38 0.00 1.08 0.00 0.00 40.66 41.78 2nef h LEU 198 CO 0.04 1.41 -0.96 1.41 -1.08 0.00 0.00 178.44 179.26 2nef n HIS 199 N -4.02 -0.65 -1.06 1.13 8.25 -0.82 -4.99 115.22 113.07 2nef n HIS 199 Ca -0.12 -3.38 -0.17 0.00 -0.26 0.00 0.00 57.72 53.79 2nef n HIS 199 Cb 0.82 0.18 -0.03 0.00 1.12 0.00 0.00 29.99 32.08 2nef n HIS 199 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2nef n PRO 200 N 2.71 1.94 0.00 -0.41 -0.04 -0.92 -4.62 135.00 133.66 2nef n PRO 200 Ca 0.29 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 2nef n PRO 200 Cb 0.47 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2nef n PRO 200 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2nef n GLU 201 N 0.97 0.00 0.00 0.54 1.02 -1.26 -3.87 120.64 118.04 2nef n GLU 201 Ca 0.35 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 2nef n GLU 201 Cb 0.61 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 2nef n GLU 201 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2nef n TYR 202 N -1.85 0.00 0.31 -0.32 4.01 -1.26 -2.97 117.16 115.07 2nef n TYR 202 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 2nef n TYR 202 Cb 0.00 -0.02 0.25 0.00 -0.31 0.00 0.00 39.34 39.27 2nef n TYR 202 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2nef n PHE 203 N -0.40 0.68 -0.08 -0.72 3.01 -1.25 -4.29 117.46 114.41 2nef n PHE 203 Ca 0.00 -0.34 -0.10 0.00 1.01 0.00 0.00 57.45 58.02 2nef n PHE 203 Cb 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 2nef n PHE 203 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2nef h LYS 204 N 3.30 0.39 -7.25 -1.08 3.64 -1.71 -3.43 116.57 110.42 2nef h LYS 204 Ca 0.00 -0.06 -0.52 0.00 -1.27 0.00 0.00 60.65 58.80 2nef h LYS 204 Cb 0.75 -0.07 0.20 0.00 -0.41 0.00 0.00 32.23 32.70 2nef h LYS 204 CO 0.00 0.39 0.19 0.09 -2.27 0.00 0.00 179.45 177.85 2nef n ASN 205 N -4.80 0.25 0.00 4.20 3.02 -1.26 -5.19 115.26 111.48 2nef n ASN 205 Ca -0.02 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 2nef n ASN 205 Cb 0.11 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.81 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64