#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 0.01 0.00 0.00 5.08 -2.01 -2.99 115.95 116.04 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 0.61 0.00 -0.11 -1.28 0.00 0.00 178.44 177.66 2nef n LEU 58 N -3.83 1.29 -2.12 0.11 7.94 -1.26 -4.07 117.00 115.06 2nef n LEU 58 Ca -0.01 0.28 -0.09 0.00 -1.11 0.00 0.00 56.01 55.08 2nef n LEU 58 Cb 0.60 -0.28 -0.12 0.00 0.53 0.00 0.00 43.42 44.15 2nef n LEU 58 CO 0.42 -0.28 1.30 -0.62 -1.11 0.00 0.00 177.39 177.10 2nef n GLU 59 N -1.36 1.44 0.00 1.96 -0.58 -1.26 -4.46 120.64 116.39 2nef n GLU 59 Ca 0.00 -0.71 0.00 0.00 -0.42 0.00 0.00 57.16 56.03 2nef n GLU 59 Cb 0.00 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nef n ALA 60 N 2.60 2.00 -1.00 0.62 0.00 -1.13 -4.08 120.51 119.51 2nef n ALA 60 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2nef n ALA 60 Cb 0.67 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2nef n ALA 60 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2nef n GLN 61 N -0.06 0.00 0.00 0.00 7.27 -1.26 -4.99 117.38 118.34 2nef n GLN 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2nef n GLN 61 Cb 0.10 -0.50 0.00 0.00 2.41 0.00 0.00 30.24 32.25 2nef n GLN 61 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2nef n GLU 62 N -0.37 0.00 -2.60 3.69 1.02 -1.26 -5.09 120.64 116.03 2nef n GLU 62 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 2nef n GLU 62 Cb 0.00 -0.15 -0.05 0.00 -0.02 0.00 0.00 31.44 31.22 2nef n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2nef s GLU 63 N -1.62 4.59 -0.32 3.49 2.56 -1.26 -5.01 118.70 121.13 2nef s GLU 63 Ca 0.00 1.59 -0.06 0.00 0.00 0.00 0.00 54.97 56.50 2nef s GLU 63 Cb 0.00 -3.02 0.19 0.00 2.00 0.00 0.00 34.13 33.30 2nef s GLU 63 CO 0.00 0.23 0.94 -1.83 -0.56 0.00 0.00 175.26 174.04 2nef s GLU 64 N -1.69 0.29 -0.01 4.30 -1.05 -1.26 -4.74 118.70 114.54 2nef s GLU 64 Ca 0.47 0.06 0.02 0.00 -0.15 0.00 0.00 54.97 55.37 2nef s GLU 64 Cb -0.26 0.07 0.07 0.00 -0.44 0.00 0.00 34.13 33.57 2nef s GLU 64 CO 0.33 -0.47 0.94 0.39 0.95 0.00 0.00 175.26 177.41 2nef n GLU 65 N 4.53 1.24 0.00 -4.83 4.71 -1.26 -4.73 120.64 120.30 2nef n GLU 65 Ca 0.08 -0.30 0.00 0.00 -0.01 0.00 0.00 57.16 56.93 2nef n GLU 65 Cb 0.59 -1.20 0.00 0.00 -1.01 0.00 0.00 31.44 29.82 2nef n GLU 65 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2nef n VAL 66 N -0.18 0.00 -0.83 2.62 0.31 -1.26 -5.04 118.33 113.95 2nef n VAL 66 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2nef n VAL 66 Cb 0.14 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 2nef n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nef n GLY 67 N 5.00 -1.80 3.43 2.92 0.00 -1.26 -5.03 105.19 108.45 2nef n GLY 67 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 2nef n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nef s PHE 68 N 0.00 -0.50 -0.91 1.61 -0.71 -1.26 -5.08 117.98 111.13 2nef s PHE 68 Ca 0.00 0.88 -0.29 0.00 -1.04 0.00 0.00 56.93 56.47 2nef s PHE 68 Cb 0.00 0.29 -0.20 0.00 -1.21 0.00 0.00 43.02 41.90 2nef s PHE 68 CO 0.00 -0.52 2.49 -2.30 -1.34 0.00 0.00 175.22 173.55 2nef n PRO 69 N 1.16 0.00 -2.83 1.99 -0.02 -1.26 -4.87 135.00 129.16 2nef n PRO 69 Ca -0.19 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.88 2nef n PRO 69 Cb 0.57 -1.39 -0.05 0.00 -0.02 0.00 0.00 33.50 32.60 2nef n PRO 69 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2nef s VAL 70 N 8.26 4.43 -0.13 -1.45 -7.23 -1.26 -5.02 120.40 118.00 2nef s VAL 70 Ca 1.26 1.91 -0.23 0.00 -1.81 0.00 0.00 61.98 63.11 2nef s VAL 70 Cb -1.18 -4.25 -0.03 0.00 0.56 0.00 0.00 36.38 31.48 2nef s VAL 70 CO 0.46 0.40 0.71 0.42 -0.31 0.00 0.00 175.10 176.78 2nef s THR 71 N -0.48 5.00 0.00 5.32 -4.23 -1.20 -5.03 115.64 115.02 2nef s THR 71 Ca 0.42 1.40 0.00 0.00 -1.18 0.00 0.00 61.69 62.33 2nef s THR 71 Cb -0.23 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.58 2nef s THR 71 CO 0.28 0.16 0.00 -0.81 -0.54 0.00 0.00 174.62 173.71 2nef n PRO 72 N 4.50 1.29 -1.51 3.99 -0.04 -1.26 -3.16 135.00 138.81 2nef n PRO 72 Ca -0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 2nef n PRO 72 Cb 0.50 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.79 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 0.13 -3.78 0.54 6.02 -1.26 -4.73 117.38 114.29 2nef n GLN 73 Ca 0.00 -0.07 -0.25 0.00 -0.01 0.00 0.00 57.00 56.67 2nef n GLN 73 Cb 0.00 -1.62 -0.02 0.00 1.02 0.00 0.00 30.24 29.62 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 5.95 5.23 -0.15 5.09 -7.23 -1.26 -4.99 120.40 123.04 2nef s VAL 74 Ca 1.28 -0.63 -0.31 0.00 -1.81 0.00 0.00 61.98 60.52 2nef s VAL 74 Cb -0.91 -3.79 -0.14 0.00 0.56 0.00 0.00 36.38 32.09 2nef s VAL 74 CO 0.47 -0.26 0.92 -2.65 -0.31 0.00 0.00 175.10 173.28 2nef n PRO 75 N -1.01 0.00 -1.74 4.82 -0.02 -1.26 -4.68 135.00 131.11 2nef n PRO 75 Ca -0.06 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.07 2nef n PRO 75 Cb 0.55 -1.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.92 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 0.90 3.31 0.13 2.45 1.43 -1.26 -4.88 118.68 120.75 2nef s LEU 76 Ca 0.69 0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 54.17 2nef s LEU 76 Cb -0.98 -2.52 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 2nef s LEU 76 CO 0.48 -2.80 0.90 -0.60 0.23 0.00 0.00 176.35 174.56 2nef s ARG 77 N 7.87 4.68 0.01 1.70 3.52 -1.26 -4.99 118.95 130.47 2nef s ARG 77 Ca 0.86 1.36 -0.30 0.00 -0.13 0.00 0.00 55.73 57.52 2nef s ARG 77 Cb -0.15 -3.35 -0.07 0.00 -1.56 0.00 0.00 34.95 29.83 2nef s ARG 77 CO 0.21 0.31 1.62 -1.25 -0.81 0.00 0.00 175.30 175.39 2nef s PRO 78 N -0.33 4.20 -0.25 5.12 0.04 -1.26 -4.82 135.00 137.71 2nef s PRO 78 Ca 0.43 2.22 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 2nef s PRO 78 Cb -0.23 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.51 2nef s PRO 78 CO 0.29 -0.76 1.76 1.41 0.04 0.00 0.00 177.00 179.73 2nef s MET 79 N 3.23 3.58 0.31 4.56 1.75 -1.26 -4.98 119.30 126.48 2nef s MET 79 Ca 0.72 1.65 -0.07 0.00 -1.25 0.00 0.00 55.69 56.75 2nef s MET 79 Cb -0.36 -4.14 -0.06 0.00 2.84 0.00 0.00 34.83 33.12 2nef s MET 79 CO 0.30 -1.57 0.61 0.95 -0.65 0.00 0.00 175.02 174.66 2nef s THR 80 N 6.09 4.94 0.21 10.11 -4.23 -1.26 -4.89 115.64 126.61 2nef s THR 80 Ca 0.78 0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 61.48 2nef s THR 80 Cb -0.26 -3.71 0.17 0.00 1.34 0.00 0.00 72.50 70.04 2nef s THR 80 CO 0.32 -0.32 1.71 0.22 -0.54 0.00 0.00 174.62 176.01 2nef h TYR 81 N 1.75 0.24 -0.14 3.99 3.20 -1.93 2.44 116.97 126.53 2nef h TYR 81 Ca -0.47 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.47 2nef h TYR 81 Cb 1.18 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2nef h TYR 81 CO 0.59 -0.02 0.10 -0.22 -1.64 0.00 0.00 178.16 176.97 2nef h LYS 82 N 0.28 0.01 -0.51 1.82 3.64 -1.95 -0.85 116.57 119.01 2nef h LYS 82 Ca 0.32 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 2nef h LYS 82 Cb 0.48 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2nef h LYS 82 CO -0.40 0.01 -0.03 0.00 -2.27 0.00 0.00 179.45 176.76 2nef h ALA 83 N 1.93 0.70 0.08 5.00 0.00 0.38 0.17 119.26 127.52 2nef h ALA 83 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2nef h ALA 83 Cb 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2nef h ALA 83 CO -0.00 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.75 2nef h ALA 84 N 0.93 -0.11 -0.33 0.00 0.00 0.29 0.78 119.26 120.82 2nef h ALA 84 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2nef h ALA 84 Cb 0.57 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2nef h ALA 84 CO 0.03 -0.53 0.08 0.28 0.00 0.00 0.00 179.25 179.12 2nef h VAL 85 N -0.19 1.22 -0.21 0.00 2.07 -1.40 0.59 116.25 118.34 2nef h VAL 85 Ca -0.01 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2nef h VAL 85 Cb 0.15 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2nef h VAL 85 CO 0.02 0.25 0.13 0.44 0.02 0.00 0.00 177.57 178.42 2nef h ASP 86 N 0.37 0.26 -0.75 0.57 5.19 -0.48 -1.62 116.42 119.95 2nef h ASP 86 Ca 0.10 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2nef h ASP 86 Cb 0.30 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.71 2nef h ASP 86 CO 0.00 0.24 0.42 0.25 -3.12 0.00 0.00 179.24 177.03 2nef h LEU 87 N 0.25 0.94 -0.54 1.55 5.85 0.82 0.22 115.31 124.40 2nef h LEU 87 Ca 0.08 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.79 2nef h LEU 87 Cb 0.03 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 2nef h LEU 87 CO -0.01 0.76 0.14 0.77 -0.34 0.00 0.00 178.44 179.76 2nef h SER 88 N 1.04 0.07 0.41 1.25 4.64 0.84 -0.16 113.55 121.64 2nef h SER 88 Ca 0.27 0.09 -0.17 0.00 -0.47 0.00 0.00 61.79 61.50 2nef h SER 88 Cb 0.03 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2nef h SER 88 CO -0.04 0.06 -0.73 0.45 -0.87 0.00 0.00 176.83 175.69 2nef h HIS 89 N 0.29 0.37 0.30 4.77 3.86 -0.78 -2.44 115.15 121.52 2nef h HIS 89 Ca 0.27 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2nef h HIS 89 Cb 0.36 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2nef h HIS 89 CO -0.21 0.91 -0.22 0.35 0.86 0.00 0.00 177.93 179.62 2nef h PHE 90 N 0.18 -0.58 -0.34 2.45 3.04 0.78 -1.31 116.94 121.15 2nef h PHE 90 Ca -0.03 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 2nef h PHE 90 Cb 1.30 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 40.01 2nef h PHE 90 CO 0.03 -0.34 0.14 -0.07 -2.02 0.00 0.00 178.31 176.05 2nef h LEU 91 N -0.52 0.43 -0.82 0.59 3.38 -1.11 -2.19 115.31 115.07 2nef h LEU 91 Ca -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2nef h LEU 91 Cb 0.45 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2nef h LEU 91 CO -0.00 0.39 0.38 0.50 0.09 0.00 0.00 178.44 179.81 2nef h LYS 92 N 0.48 1.19 0.09 1.13 3.64 -0.84 0.55 116.57 122.82 2nef h LYS 92 Ca 0.12 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2nef h LYS 92 Cb 0.10 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2nef h LYS 92 CO -0.01 0.93 -0.05 0.93 -2.27 0.00 0.00 179.45 178.98 2nef h GLU 93 N 1.17 -0.12 0.08 1.90 4.39 -0.67 -3.40 114.58 117.94 2nef h GLU 93 Ca 0.28 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 2nef h GLU 93 Cb 0.14 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2nef h GLU 93 CO -0.03 -0.08 -0.04 0.87 -1.16 0.00 0.00 179.01 178.57 2nef h LYS 94 N -0.22 -0.11 -7.39 2.33 1.57 -1.53 -3.46 116.57 107.76 2nef h LYS 94 Ca -0.01 0.01 -0.48 0.00 -1.87 0.00 0.00 60.65 58.29 2nef h LYS 94 Cb 0.10 0.02 0.12 0.00 0.08 0.00 0.00 32.23 32.55 2nef h LYS 94 CO 0.02 0.34 0.31 0.20 -0.57 0.00 0.00 179.45 179.75 2nef s GLY 95 N -3.59 1.62 -0.51 3.86 0.00 0.19 -5.01 107.32 103.88 2nef s GLY 95 Ca -0.10 -0.18 0.08 0.00 0.00 0.00 0.00 44.72 44.51 2nef s GLY 95 CO 0.38 0.27 0.82 0.61 0.00 0.00 0.00 173.10 175.18 2nef n GLY 96 N -1.82 4.66 0.09 0.20 0.00 -1.24 -4.10 105.19 102.98 2nef n GLY 96 Ca 0.07 -2.35 -0.04 0.00 0.00 0.00 0.00 46.02 43.71 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 3.22 0.00 -9.63 0.99 5.85 -1.92 -3.40 115.31 110.43 2nef h LEU 97 Ca 0.12 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.26 2nef h LEU 97 Cb 0.70 0.00 0.12 0.00 0.37 0.00 0.00 40.66 41.85 2nef h LEU 97 CO 0.69 0.82 0.27 1.21 -0.34 0.00 0.00 178.44 181.10 2nef n GLU 98 N -3.26 1.62 -0.39 1.25 0.00 -1.26 -0.70 120.64 117.89 2nef n GLU 98 Ca -0.01 0.57 0.00 0.00 0.00 0.00 0.00 57.16 57.72 2nef n GLU 98 Cb 0.88 -2.08 0.00 0.00 0.00 0.00 0.00 31.44 30.24 2nef n GLU 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2nef n GLY 99 N 1.05 0.00 3.55 8.31 0.00 0.73 -4.82 105.19 114.01 2nef n GLY 99 Ca 0.08 0.00 -0.40 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 3.22 -0.27 0.99 1.98 0.12 -4.76 118.68 119.97 2nef s LEU 100 Ca 0.00 -0.19 -0.33 0.00 -2.89 0.00 0.00 54.13 50.72 2nef s LEU 100 Cb 0.00 -2.55 -0.10 0.00 0.66 0.00 0.00 46.19 44.20 2nef s LEU 100 CO 0.00 -2.06 2.14 -0.38 -1.89 0.00 0.00 176.35 174.15 2nef n ILE 101 N 6.76 0.30 -1.90 6.68 2.08 -1.26 -3.69 119.36 128.33 2nef n ILE 101 Ca 0.12 -0.28 -0.40 0.00 0.56 0.00 0.00 62.75 62.74 2nef n ILE 101 Cb 0.50 -1.92 -0.03 0.00 -0.75 0.00 0.00 39.64 37.44 2nef n ILE 101 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2nef s HIS 102 N 6.95 1.58 0.00 1.39 5.65 0.80 -4.87 115.29 126.78 2nef s HIS 102 Ca 1.04 0.81 0.00 0.00 0.25 0.00 0.00 55.06 57.17 2nef s HIS 102 Cb -0.70 -4.01 0.00 0.00 -1.18 0.00 0.00 32.58 26.70 2nef s HIS 102 CO 0.46 -2.81 0.59 0.45 -0.65 0.00 0.00 174.74 172.79 2nef n SER 103 N 12.06 0.00 0.12 9.88 2.88 -1.26 -3.15 113.62 134.15 2nef n SER 103 Ca 0.25 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 2nef n SER 103 Cb 0.49 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2nef n GLN 104 N -1.86 0.00 0.17 -1.46 7.27 -1.26 -4.50 117.38 115.74 2nef n GLN 104 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.19 2nef n GLN 104 Cb 0.00 0.00 0.25 0.00 2.41 0.00 0.00 30.24 32.90 2nef n GLN 104 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 2nef h ARG 105 N 0.00 0.00 -0.38 3.69 0.11 -1.99 -3.24 114.38 112.57 2nef h ARG 105 Ca 0.00 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.19 2nef h ARG 105 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 2nef h ARG 105 CO 0.00 0.00 0.40 0.00 0.10 0.00 0.00 179.97 180.47 2nef h ARG 106 N 0.00 0.00 0.08 0.08 3.08 -1.94 -0.77 114.38 114.90 2nef h ARG 106 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nef h ARG 106 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2nef h ARG 106 CO 0.00 0.00 -0.04 0.37 -1.07 0.00 0.00 179.97 179.23 2nef h GLN 107 N 0.00 -0.10 0.13 0.04 4.15 -1.96 -2.66 115.11 114.71 2nef h GLN 107 Ca 0.18 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.61 2nef h GLN 107 Cb 0.97 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 2nef h GLN 107 CO -0.00 0.04 -0.13 -0.44 -1.93 0.00 0.00 178.83 176.37 2nef h ASP 108 N -0.23 -0.33 -0.79 -0.69 3.32 -1.39 -2.60 116.42 113.71 2nef h ASP 108 Ca -0.01 0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.23 2nef h ASP 108 Cb 0.19 0.12 -0.15 0.00 0.22 0.00 0.00 39.33 39.71 2nef h ASP 108 CO 0.02 -0.19 -0.20 0.40 -1.72 0.00 0.00 179.24 177.54 2nef h ILE 109 N -0.28 0.21 0.00 0.35 1.08 -1.42 0.56 117.51 118.00 2nef h ILE 109 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2nef h ILE 109 Cb 0.27 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 2nef h ILE 109 CO -0.03 0.00 0.00 -0.11 -0.69 0.00 0.00 178.15 177.32 2nef n LEU 110 N -5.52 0.00 -0.23 1.44 7.94 -0.99 0.68 117.00 120.32 2nef n LEU 110 Ca 0.11 0.94 0.26 0.00 -1.11 0.00 0.00 56.01 56.21 2nef n LEU 110 Cb 0.40 -0.44 0.64 0.00 0.53 0.00 0.00 43.42 44.55 2nef n LEU 110 CO -0.03 -0.44 1.25 0.44 -1.11 0.00 0.00 177.39 177.51 2nef h ASP 111 N 0.00 0.17 0.58 1.96 3.32 -1.26 -1.10 116.42 120.08 2nef h ASP 111 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2nef h ASP 111 Cb 0.00 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.55 2nef h ASP 111 CO 0.00 0.05 -0.28 0.25 -1.72 0.00 0.00 179.24 177.55 2nef h LEU 112 N 0.16 -0.66 -0.69 1.55 6.46 0.17 -0.25 115.31 122.04 2nef h LEU 112 Ca 0.48 -0.04 0.13 0.00 -0.12 0.00 0.00 57.88 58.33 2nef h LEU 112 Cb 1.61 0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 41.61 2nef h LEU 112 CO -0.09 -0.30 0.21 -0.25 -0.62 0.00 0.00 178.44 177.39 2nef h TRP 113 N -1.06 0.35 -0.96 1.25 7.01 0.15 0.25 115.95 122.95 2nef h TRP 113 Ca -0.08 0.04 0.01 0.00 2.11 0.00 0.00 58.89 60.96 2nef h TRP 113 Cb 0.65 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.62 2nef h TRP 113 CO 0.00 0.00 0.62 0.82 -2.79 0.00 0.00 178.44 177.09 2nef h ILE 114 N 0.34 1.25 0.38 2.65 2.04 -1.22 -2.84 117.51 120.11 2nef h ILE 114 Ca 0.38 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2nef h ILE 114 Cb 0.58 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2nef h ILE 114 CO -0.42 0.25 -0.18 0.22 0.00 0.00 0.00 178.15 178.01 2nef h TYR 115 N 1.30 -0.47 0.00 1.37 3.20 0.13 -2.49 116.97 120.01 2nef h TYR 115 Ca 0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.21 2nef h TYR 115 Cb -0.13 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2nef h TYR 115 CO 0.00 -0.16 0.00 0.72 -1.64 0.00 0.00 178.16 177.08 2nef n HIS 116 N -5.20 0.00 0.00 -3.82 8.25 0.00 -1.99 115.22 112.46 2nef n HIS 116 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2nef n HIS 116 Cb 0.28 -0.01 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 -0.11 0.00 0.50 1.59 -2.24 -0.96 -3.26 114.28 109.79 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 0.02 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 68.62 2nef n THR 117 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2nef h GLN 118 N 0.00 0.00 -1.84 -0.78 -0.00 -1.64 -3.43 115.11 107.42 2nef h GLN 118 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 2nef h GLN 118 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 27.48 27.50 2nef h GLN 118 CO 0.00 0.00 -0.20 0.41 0.00 0.00 0.00 178.83 179.04 2nef n GLY 119 N 1.09 0.30 3.76 2.39 0.00 -0.84 -4.53 105.19 107.35 2nef n GLY 119 Ca 0.05 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.76 3.46 0.21 1.61 2.02 -1.26 -4.60 117.35 116.04 2nef s TYR 120 Ca 0.10 1.62 -0.27 0.00 -0.37 0.00 0.00 57.07 58.15 2nef s TYR 120 Cb -0.05 -3.38 -0.09 0.00 -0.40 0.00 0.00 41.96 38.05 2nef s TYR 120 CO 0.13 -0.87 0.86 -0.59 -1.57 0.00 0.00 175.55 173.50 2nef s PHE 121 N -1.03 3.91 -0.69 2.71 -0.12 -1.26 -4.63 117.98 116.86 2nef s PHE 121 Ca 0.46 1.75 -0.27 0.00 -0.05 0.00 0.00 56.93 58.83 2nef s PHE 121 Cb -0.34 -2.86 0.01 0.00 -0.63 0.00 0.00 43.02 39.21 2nef s PHE 121 CO 0.43 0.46 1.48 -1.25 -0.05 0.00 0.00 175.22 176.29 2nef s PRO 122 N -1.28 3.00 0.00 1.99 0.04 -1.26 -4.57 135.00 132.92 2nef s PRO 122 Ca 0.39 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2nef s PRO 122 Cb -0.24 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2nef s PRO 122 CO 0.28 -2.35 0.37 -0.40 0.04 0.00 0.00 177.00 174.95 2nef n ASP 123 N 10.55 0.00 -0.02 6.66 5.75 -1.26 -4.90 116.55 133.33 2nef n ASP 123 Ca 0.09 -1.12 -0.02 0.00 -0.01 0.00 0.00 54.79 53.74 2nef n ASP 123 Cb 0.50 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.00 0.00 -2.38 2.11 4.27 -1.26 -4.94 117.44 115.24 2nef n TRP 124 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 2nef n TRP 124 Cb 0.52 -0.21 -0.02 0.00 -1.36 0.00 0.00 31.31 30.24 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 -2.14 3.49 -0.45 -2.67 -2.07 -1.26 -4.64 119.66 109.92 2nef s GLN 125 Ca -0.02 0.76 0.07 0.00 -1.82 0.00 0.00 55.36 54.34 2nef s GLN 125 Cb 0.02 -4.05 0.18 0.00 -1.09 0.00 0.00 33.01 28.06 2nef s GLN 125 CO 0.19 -1.68 0.61 -0.80 -1.32 0.00 0.00 175.29 172.29 2nef s ASN 126 N 4.04 -0.86 1.03 12.60 0.01 -1.26 -5.11 114.94 125.38 2nef s ASN 126 Ca 0.58 -1.53 -0.02 0.00 -0.71 0.00 0.00 52.86 51.18 2nef s ASN 126 Cb -0.12 1.52 0.03 0.00 0.41 0.00 0.00 41.25 43.09 2nef s ASN 126 CO 0.30 -0.13 0.11 -1.22 -1.51 0.00 0.00 177.10 174.66 2nef n TYR 127 N 3.59 -3.05 -1.20 2.20 4.02 -1.26 -2.74 117.16 118.72 2nef n TYR 127 Ca 0.16 -0.10 -0.32 0.00 -0.01 0.00 0.00 57.90 57.62 2nef n TYR 127 Cb 0.54 -0.12 0.11 0.00 -0.02 0.00 0.00 39.34 39.85 2nef n TYR 127 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2nef s THR 128 N -1.20 2.66 0.00 -0.72 -4.23 -0.84 -4.64 115.64 106.65 2nef s THR 128 Ca 0.07 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 2nef s THR 128 Cb -0.01 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2nef s THR 128 CO 0.06 -0.24 0.00 -2.65 -0.54 0.00 0.00 174.62 171.25 2nef n PRO 129 N -3.37 0.00 -2.19 3.99 -0.02 -1.26 -4.65 135.00 127.49 2nef n PRO 129 Ca 0.11 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.37 2nef n PRO 129 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.02 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 0.00 5.84 0.00 -1.23 0.00 -1.26 -5.06 105.19 103.48 2nef n GLY 130 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 46.02 43.49 2nef n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nef n PRO 131 N -0.64 1.29 0.00 1.61 -0.04 -1.26 -5.06 135.00 130.90 2nef n PRO 131 Ca 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2nef n PRO 131 Cb 0.89 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.35 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 132 N 4.68 1.57 1.83 0.55 0.00 -1.26 -4.92 105.19 107.64 2nef n GLY 132 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2nef n GLY 132 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nef n ILE 133 N -0.49 0.00 -3.25 -0.61 5.41 -1.26 -4.79 119.36 114.36 2nef n ILE 133 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2nef n ILE 133 Cb 0.00 -0.54 -0.03 0.00 -0.71 0.00 0.00 39.64 38.36 2nef n ILE 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2nef s ARG 134 N -4.02 0.65 0.36 0.38 0.52 -1.16 -4.92 118.95 110.77 2nef s ARG 134 Ca 0.37 -0.15 -0.14 0.00 -0.52 0.00 0.00 55.73 55.29 2nef s ARG 134 Cb -0.06 -0.12 -0.08 0.00 0.52 0.00 0.00 34.95 35.20 2nef s ARG 134 CO 0.31 -1.13 0.77 0.71 0.02 0.00 0.00 175.30 175.97 2nef s TYR 135 N 2.10 3.41 -0.24 -0.53 1.51 -1.26 -2.94 117.35 119.38 2nef s TYR 135 Ca 0.14 1.19 -0.29 0.00 -1.01 0.00 0.00 57.07 57.10 2nef s TYR 135 Cb -0.09 -2.53 0.01 0.00 -0.11 0.00 0.00 41.96 39.23 2nef s TYR 135 CO -0.15 -0.01 1.10 -1.25 -1.11 0.00 0.00 175.55 174.13 2nef s PRO 136 N -3.34 4.19 0.15 -1.71 0.04 -1.26 -1.99 135.00 131.08 2nef s PRO 136 Ca 0.54 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 2nef s PRO 136 Cb -0.10 -3.69 0.01 0.00 0.04 0.00 0.00 34.50 30.76 2nef s PRO 136 CO 0.23 -0.73 1.74 -0.07 0.04 0.00 0.00 177.00 178.21 2nef h LEU 137 N 9.71 0.55-10.20 -3.56 3.38 -1.78 -3.43 115.31 109.99 2nef h LEU 137 Ca -0.21 -0.10 -0.51 0.00 0.09 0.00 0.00 57.88 57.14 2nef h LEU 137 Cb 1.07 -0.14 0.12 0.00 0.09 0.00 0.00 40.66 41.80 2nef h LEU 137 CO 0.99 0.49 0.37 0.42 0.09 0.00 0.00 178.44 180.81 2nef s THR 138 N -5.80 2.99 0.21 0.22 -4.23 -1.26 -4.98 115.64 102.79 2nef s THR 138 Ca -0.13 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 2nef s THR 138 Cb 0.11 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 2nef s THR 138 CO 0.74 -0.29 0.39 0.12 -0.54 0.00 0.00 174.62 175.04 2nef s PHE 139 N -2.28 3.48 0.00 3.99 5.36 -1.26 -4.38 117.98 122.89 2nef s PHE 139 Ca 0.68 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 2nef s PHE 139 Cb -0.22 -1.80 0.00 0.00 -0.34 0.00 0.00 43.02 40.65 2nef s PHE 139 CO 0.43 0.38 0.00 0.41 -1.46 0.00 0.00 175.22 174.98 2nef n GLY 140 N -0.83 2.71 3.55 13.12 0.00 -1.26 -4.90 105.19 117.59 2nef n GLY 140 Ca -0.05 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.41 1.98 -0.04 1.61 -0.00 -1.26 -3.93 118.94 115.89 2nef s TRP 141 Ca 0.00 0.29 -0.00 0.00 -0.00 0.00 0.00 56.10 56.39 2nef s TRP 141 Cb 0.00 -4.30 0.03 0.00 -0.00 0.00 0.00 33.47 29.20 2nef s TRP 141 CO 0.00 -2.05 1.83 0.00 -0.00 0.00 0.00 176.95 176.73 2nef s TYR 143 N -0.23 3.59 -0.34 0.00 2.02 -1.26 -1.29 117.35 119.84 2nef s TYR 143 Ca 0.04 -2.45 -0.12 0.00 -0.37 0.00 0.00 57.07 54.17 2nef s TYR 143 Cb 0.03 -3.15 -0.01 0.00 -0.40 0.00 0.00 41.96 38.44 2nef s TYR 143 CO 0.00 -0.96 0.22 0.15 -1.57 0.00 0.00 175.55 173.39 2nef s LYS 144 N 1.12 3.32 0.41 -0.62 1.02 -1.02 -4.59 119.74 119.38 2nef s LYS 144 Ca 0.08 -0.75 -0.22 0.00 0.02 0.00 0.00 55.97 55.09 2nef s LYS 144 Cb -0.22 -3.75 -0.11 0.00 -0.52 0.00 0.00 37.83 33.23 2nef s LYS 144 CO -0.04 -0.50 0.96 -0.51 -0.92 0.00 0.00 175.35 174.33 2nef s LEU 145 N 1.67 4.02 -0.20 3.17 1.43 -1.15 -1.82 118.68 125.79 2nef s LEU 145 Ca 0.05 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.79 2nef s LEU 145 Cb -0.18 -4.43 0.07 0.00 0.03 0.00 0.00 46.19 41.69 2nef s LEU 145 CO 0.09 -0.33 0.49 -0.69 0.23 0.00 0.00 176.35 176.14 2nef s VAL 146 N -2.04 -0.12 0.87 -1.59 1.01 -1.15 -2.97 120.40 114.41 2nef s VAL 146 Ca 0.60 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 2nef s VAL 146 Cb -0.12 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.60 2nef s VAL 146 CO 0.16 0.03 -0.09 -2.65 0.00 0.00 0.00 175.10 172.55 2nef n PRO 147 N 4.44 -1.21 0.00 2.72 -0.02 -1.26 -3.02 135.00 136.64 2nef n PRO 147 Ca -0.21 -0.36 0.00 0.00 -2.02 0.00 0.00 63.50 60.92 2nef n PRO 147 Cb 0.55 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 2nef n PRO 147 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2nef n VAL 148 N -3.86 0.00 -2.93 -1.45 0.31 -1.24 -4.72 118.33 104.44 2nef n VAL 148 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.28 2nef n VAL 148 Cb 0.33 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.25 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 1.36 1.00 0.91 5.55 2.02 -1.26 -5.14 118.70 123.14 2nef s GLU 149 Ca 0.00 -1.10 -0.15 0.00 0.02 0.00 0.00 54.97 53.74 2nef s GLU 149 Cb 0.00 -0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.01 2nef s GLU 149 CO 0.00 -1.31 -0.27 -2.30 0.02 0.00 0.00 175.26 171.39 2nef n PRO 150 N 3.17 -1.07 -0.37 0.39 -0.02 -1.26 -4.93 135.00 130.91 2nef n PRO 150 Ca 0.18 -0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 61.05 2nef n PRO 150 Cb 0.55 -1.28 0.29 0.00 -0.02 0.00 0.00 33.50 33.03 2nef n PRO 150 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2nef s GLU 151 N -2.76 -2.78 0.00 -0.52 2.02 -1.26 -5.05 118.70 108.35 2nef s GLU 151 Ca 0.31 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.52 2nef s GLU 151 Cb -0.01 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.83 2nef s GLU 151 CO 0.39 -4.80 0.00 1.17 0.02 0.00 0.00 175.26 172.04 2nef n LYS 152 N -5.59 0.00 -0.29 1.61 3.00 -1.26 -4.80 118.16 110.83 2nef n LYS 152 Ca 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.38 2nef n LYS 152 Cb 0.59 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.68 2nef n LYS 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2nef n LEU 153 N 0.00 3.51 -4.79 3.14 4.77 -1.26 -4.91 117.00 117.46 2nef n LEU 153 Ca 0.00 -1.80 -0.30 0.00 -0.03 0.00 0.00 56.01 53.87 2nef n LEU 153 Cb 0.00 -0.58 0.08 0.00 -2.33 0.00 0.00 43.42 40.60 2nef n LEU 153 CO 0.00 0.57 0.70 -1.61 -1.33 0.00 0.00 177.39 175.72 2nef s GLU 154 N -0.98 2.28 0.09 3.23 2.02 -1.26 -4.97 118.70 119.10 2nef s GLU 154 Ca 0.14 0.85 -0.31 0.00 0.02 0.00 0.00 54.97 55.67 2nef s GLU 154 Cb 0.12 -1.92 -0.06 0.00 0.10 0.00 0.00 34.13 32.36 2nef s GLU 154 CO 0.03 -1.54 1.22 -2.00 0.02 0.00 0.00 175.26 172.99 2nef s GLU 155 N -5.05 4.43 -0.43 1.61 -6.30 -1.26 -4.98 118.70 106.73 2nef s GLU 155 Ca 0.60 1.82 0.04 0.00 -2.50 0.00 0.00 54.97 54.93 2nef s GLU 155 Cb -0.15 -3.32 0.17 0.00 0.00 0.00 0.00 34.13 30.83 2nef s GLU 155 CO 0.55 -0.24 0.40 0.00 0.02 0.00 0.00 175.26 175.99 2nef s ALA 156 N 0.85 0.82 -0.52 6.30 0.00 -1.26 -4.94 121.76 123.01 2nef s ALA 156 Ca 0.58 -2.11 0.22 0.00 0.00 0.00 0.00 51.96 50.66 2nef s ALA 156 Cb -0.31 -1.77 0.95 0.00 0.00 0.00 0.00 23.12 21.99 2nef s ALA 156 CO 0.31 -2.02 1.67 -1.71 0.00 0.00 0.00 175.76 174.01 2nef n ASN 157 N 2.90 0.59 -3.73 0.00 5.15 -1.26 -4.70 115.26 114.21 2nef n ASN 157 Ca 0.28 0.65 0.00 0.00 -0.60 0.00 0.00 54.58 54.91 2nef n ASN 157 Cb 0.49 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 2nef n ASN 157 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2nef n LYS 158 N -2.16 1.20 -3.41 1.20 2.85 -1.26 -5.09 118.16 111.49 2nef n LYS 158 Ca 0.02 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.16 2nef n LYS 158 Cb 0.21 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.55 2nef n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2nef n ASP 174 N 0.00 -0.74 -2.89 -5.58 2.03 -1.26 -5.12 116.55 102.99 2nef n ASP 174 Ca 0.00 -2.43 -0.13 0.00 0.52 0.00 0.00 54.79 52.75 2nef n ASP 174 Cb 0.00 1.50 0.01 0.00 -0.72 0.00 0.00 41.12 41.91 2nef n ASP 174 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2nef n ASP 175 N -1.92 -1.87 -0.07 1.67 8.00 -1.26 -5.00 116.55 116.09 2nef n ASP 175 Ca 0.03 -3.13 -0.12 0.00 0.71 0.00 0.00 54.79 52.28 2nef n ASP 175 Cb 0.42 1.03 -0.10 0.00 -0.02 0.00 0.00 41.12 42.45 2nef n ASP 175 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2nef h PRO 176 N 3.95 0.00 -3.61 -0.24 0.13 -2.07 -3.37 132.00 126.79 2nef h PRO 176 Ca -0.08 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.38 2nef h PRO 176 Cb 0.98 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2nef h PRO 176 CO 0.37 0.76 3.34 0.39 -0.23 0.00 0.00 178.00 182.63 2nef n GLU 177 N -4.62 3.06 -0.20 0.86 1.02 -1.26 -4.69 120.64 114.82 2nef n GLU 177 Ca -0.11 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 54.69 2nef n GLU 177 Cb 0.41 -3.03 0.00 0.00 -0.02 0.00 0.00 31.44 28.79 2nef n GLU 177 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2nef n ARG 178 N 5.08 0.93 0.00 3.49 0.63 -1.26 -4.22 116.66 121.31 2nef n ARG 178 Ca 0.62 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 2nef n ARG 178 Cb 0.32 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.19 2nef n ARG 178 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2nef n GLU 179 N 0.95 0.84 -2.85 -0.14 4.71 -1.26 -4.55 120.64 118.34 2nef n GLU 179 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.71 2nef n GLU 179 Cb 0.47 -1.41 -0.01 0.00 -1.01 0.00 0.00 31.44 29.47 2nef n GLU 179 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2nef s VAL 180 N -0.98 4.71 0.04 2.62 1.01 -1.26 -4.46 120.40 122.08 2nef s VAL 180 Ca 0.00 -2.10 0.06 0.00 0.00 0.00 0.00 61.98 59.94 2nef s VAL 180 Cb 0.00 -4.94 -0.03 0.00 0.00 0.00 0.00 36.38 31.40 2nef s VAL 180 CO 0.00 -1.69 -0.15 -0.76 0.00 0.00 0.00 175.10 172.49 2nef s LEU 181 N 2.59 2.74 -0.16 3.92 1.43 -1.19 -3.68 118.68 124.34 2nef s LEU 181 Ca 0.43 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 2nef s LEU 181 Cb -0.02 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 2nef s LEU 181 CO -0.02 0.25 -0.03 -1.83 0.23 0.00 0.00 176.35 174.96 2nef s GLU 182 N -1.51 3.70 -0.42 1.70 1.03 -1.17 0.28 118.70 122.32 2nef s GLU 182 Ca 0.16 -0.50 -0.28 0.00 0.03 0.00 0.00 54.97 54.37 2nef s GLU 182 Cb -0.11 -2.94 -0.00 0.00 -0.80 0.00 0.00 34.13 30.28 2nef s GLU 182 CO 0.06 0.25 1.57 -1.58 -1.33 0.00 0.00 175.26 174.23 2nef s TRP 183 N 0.36 2.14 -0.55 4.83 0.51 -1.24 -2.91 118.94 122.07 2nef s TRP 183 Ca -0.04 0.64 -0.20 0.00 -2.12 0.00 0.00 56.10 54.39 2nef s TRP 183 Cb -0.14 -4.25 0.07 0.00 -0.81 0.00 0.00 33.47 28.34 2nef s TRP 183 CO 0.03 -2.32 0.70 0.50 -0.51 0.00 0.00 176.95 175.35 2nef s ARG 184 N 5.39 3.11 0.14 4.98 3.52 -0.76 -0.19 118.95 135.14 2nef s ARG 184 Ca 0.67 -0.98 -0.31 0.00 -0.13 0.00 0.00 55.73 54.97 2nef s ARG 184 Cb -0.16 -4.16 -0.08 0.00 -1.56 0.00 0.00 34.95 28.99 2nef s ARG 184 CO 0.31 -1.40 1.33 0.12 -0.81 0.00 0.00 175.30 174.85 2nef s PHE 185 N 2.87 3.28 -0.48 5.12 2.19 -1.26 -2.44 117.98 127.25 2nef s PHE 185 Ca 0.16 1.11 0.06 0.00 0.33 0.00 0.00 56.93 58.58 2nef s PHE 185 Cb -0.20 -3.61 0.20 0.00 -1.31 0.00 0.00 43.02 38.09 2nef s PHE 185 CO 0.10 -2.03 0.66 -3.47 1.83 0.00 0.00 175.22 172.32 2nef n ASP 186 N 3.43 -2.49 0.00 6.13 -0.08 -0.41 -4.97 116.55 118.16 2nef n ASP 186 Ca 0.09 -2.86 0.00 0.00 -1.51 0.00 0.00 54.79 50.51 2nef n ASP 186 Cb 0.43 1.12 0.00 0.00 2.34 0.00 0.00 41.12 45.01 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 2.57 0.00 0.27 1.67 2.88 -1.26 -1.31 113.62 118.44 2nef n SER 187 Ca 0.19 0.14 0.10 0.00 -1.33 0.00 0.00 58.87 57.97 2nef n SER 187 Cb 0.55 -0.14 0.70 0.00 -0.75 0.00 0.00 64.21 64.57 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2nef h ARG 188 N 0.00 0.00 0.00 -1.46 2.43 -1.93 0.18 114.38 113.59 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 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2nef h ARG 188 CO 0.00 0.02 0.00 -0.11 -1.51 0.00 0.00 179.97 178.37 2nef n LEU 189 N -4.35 0.00 0.00 3.80 0.00 -0.43 -0.97 117.00 115.06 2nef n LEU 189 Ca -0.03 0.29 0.12 0.00 0.00 0.00 0.00 56.01 56.38 2nef n LEU 189 Cb 0.10 -0.29 0.70 0.00 0.00 0.00 0.00 43.42 43.94 2nef n LEU 189 CO 0.33 -0.27 0.89 0.00 0.00 0.00 0.00 177.39 178.33 2nef n ALA 190 N -1.29 2.41 -0.23 1.96 0.00 0.62 -4.32 120.51 119.66 2nef n ALA 190 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2nef n ALA 190 Cb 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.98 0.00 -2.26 0.00 3.72 -0.14 -5.02 117.46 112.78 2nef n PHE 191 Ca 0.18 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 2nef n PHE 191 Cb 0.08 0.35 -0.02 0.00 -0.94 0.00 0.00 39.48 38.94 2nef n PHE 191 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2nef s HIS 192 N -0.77 2.19 -0.85 1.38 3.76 -1.19 -4.94 115.29 114.88 2nef s HIS 192 Ca 0.00 0.63 -0.22 0.00 -0.15 0.00 0.00 55.06 55.31 2nef s HIS 192 Cb 0.00 -4.28 0.07 0.00 1.11 0.00 0.00 32.58 29.49 2nef s HIS 192 CO 0.00 -2.21 1.20 -3.38 -0.85 0.00 0.00 174.74 169.50 2nef s HIS 193 N 6.14 2.68 0.02 1.40 -3.43 -1.26 -4.59 115.29 116.25 2nef s HIS 193 Ca 0.64 -0.77 -0.20 0.00 -0.80 0.00 0.00 55.06 53.92 2nef s HIS 193 Cb -0.15 -4.47 -0.18 0.00 -1.43 0.00 0.00 32.58 26.35 2nef s HIS 193 CO 0.30 -1.77 1.22 0.52 -2.00 0.00 0.00 174.74 173.01 2nef h MET 194 N 9.52 0.36 -0.90 -0.38 2.86 -1.93 -3.15 114.93 121.32 2nef h MET 194 Ca -0.03 -0.28 0.26 0.00 -2.06 0.00 0.00 59.70 57.59 2nef h MET 194 Cb 1.04 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 2nef h MET 194 CO 1.25 0.90 1.04 0.00 1.06 0.00 0.00 176.91 181.16 2nef h ALA 195 N 0.46 2.78 -0.28 6.32 0.00 -1.88 0.96 119.26 127.62 2nef h ALA 195 Ca -0.01 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2nef h ALA 195 Cb 0.94 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2nef h ALA 195 CO 0.07 -1.50 -0.55 -0.09 0.00 0.00 0.00 179.25 177.17 2nef h ARG 196 N 0.00 0.86 0.00 0.00 2.43 -1.90 -2.91 114.38 112.85 2nef h ARG 196 Ca 0.43 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2nef h ARG 196 Cb 2.50 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 32.12 2nef h ARG 196 CO -0.00 1.18 0.00 0.93 -1.51 0.00 0.00 179.97 180.57 2nef h GLU 197 N 0.66 0.00 0.05 0.20 4.39 0.80 -3.21 114.58 117.46 2nef h GLU 197 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2nef h GLU 197 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2nef h GLU 197 CO 0.12 0.00 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.88 2nef h LEU 198 N 0.00 -0.05 -6.08 1.33 4.07 -1.30 -3.45 115.31 109.82 2nef h LEU 198 Ca 0.00 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.58 2nef h LEU 198 Cb 0.60 0.01 -0.30 0.00 1.08 0.00 0.00 40.66 42.06 2nef h LEU 198 CO 0.00 0.04 -0.73 -1.00 -1.08 0.00 0.00 178.44 175.68 2nef s HIS 199 N -1.68 -0.20 -0.75 1.13 3.76 -1.17 -4.98 115.29 111.40 2nef s HIS 199 Ca -0.01 -1.18 0.26 0.00 -0.15 0.00 0.00 55.06 53.98 2nef s HIS 199 Cb 0.00 -0.39 0.84 0.00 1.11 0.00 0.00 32.58 34.14 2nef s HIS 199 CO 0.03 -1.00 1.78 -0.35 -0.85 0.00 0.00 174.74 174.36 2nef n PRO 200 N 3.59 0.24 0.20 8.40 -0.04 -1.21 -3.59 135.00 142.59 2nef n PRO 200 Ca 0.18 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.95 2nef n PRO 200 Cb 0.48 -1.78 0.60 0.00 -0.04 0.00 0.00 33.50 32.76 2nef n PRO 200 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2nef h GLU 201 N 0.00 0.00 0.07 0.54 9.09 -1.91 0.48 114.58 122.85 2nef h GLU 201 Ca 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.16 2nef h GLU 201 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.82 2nef h GLU 201 CO 0.00 0.00 -1.10 1.88 0.05 0.00 0.00 179.01 179.84 2nef h TYR 202 N 0.00 0.51 -0.35 2.06 0.05 -2.01 -3.46 116.97 113.77 2nef h TYR 202 Ca 0.00 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.45 2nef h TYR 202 Cb 0.26 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2nef h TYR 202 CO 0.00 1.20 0.00 1.19 -1.05 0.00 0.00 178.16 179.50 2nef n PHE 203 N -3.62 0.00 -2.88 4.88 3.72 0.16 -5.04 117.46 114.68 2nef n PHE 203 Ca -0.07 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.99 2nef n PHE 203 Cb 0.93 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.41 2nef n PHE 203 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2nef s LYS 204 N 2.07 4.28 0.00 -1.08 -2.85 -1.26 -5.06 119.74 115.84 2nef s LYS 204 Ca 0.00 1.07 0.00 0.00 -1.00 0.00 0.00 55.97 56.04 2nef s LYS 204 Cb 0.00 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 2nef s LYS 204 CO 0.00 0.10 0.00 0.09 0.10 0.00 0.00 175.35 175.64 2nef n ASN 205 N -0.21 0.00 -0.07 0.03 5.03 -1.26 -4.87 115.26 113.91 2nef n ASN 205 Ca 0.05 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.65 2nef n ASN 205 Cb 0.53 0.00 0.89 0.00 -1.02 0.00 0.00 39.78 40.18 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43