#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef n TRP 57 N 0.00 0.00 -1.52 0.00 -0.00 -1.26 -4.24 117.44 110.43 2nef n TRP 57 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.11 2nef n TRP 57 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.29 2nef n TRP 57 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 2nef n LEU 58 N 0.00 8.54 -2.53 5.87 7.94 -1.26 -4.77 117.00 130.79 2nef n LEU 58 Ca 0.00 -4.52 -0.18 0.00 -1.11 0.00 0.00 56.01 50.21 2nef n LEU 58 Cb 0.00 -1.50 -0.09 0.00 0.53 0.00 0.00 43.42 42.35 2nef n LEU 58 CO 0.00 2.06 1.96 -1.84 -1.11 0.00 0.00 177.39 178.46 2nef n GLU 59 N 3.08 2.09 -0.04 1.96 -0.00 -1.26 -4.60 120.64 121.88 2nef n GLU 59 Ca 0.74 -1.19 0.00 0.00 -0.00 0.00 0.00 57.16 56.71 2nef n GLU 59 Cb 0.24 -2.17 0.00 0.00 -0.00 0.00 0.00 31.44 29.51 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2nef n ALA 60 N 3.08 2.25 -0.78 -1.84 0.00 -1.26 -3.95 120.51 118.01 2nef n ALA 60 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2nef n ALA 60 Cb 0.53 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 0.80 0.00 -3.88 0.00 7.27 -1.26 -5.11 117.38 115.19 2nef n GLN 61 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 2nef n GLN 61 Cb 0.32 -0.04 -0.10 0.00 2.41 0.00 0.00 30.24 32.82 2nef n GLN 61 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2nef s GLU 62 N -0.22 0.45 -0.22 3.69 2.02 -1.25 -5.12 118.70 118.04 2nef s GLU 62 Ca 0.00 -0.40 -0.29 0.00 0.02 0.00 0.00 54.97 54.30 2nef s GLU 62 Cb 0.00 0.18 -0.00 0.00 0.10 0.00 0.00 34.13 34.41 2nef s GLU 62 CO 0.00 -0.10 1.21 -2.00 0.02 0.00 0.00 175.26 174.39 2nef s GLU 63 N -1.33 4.15 0.00 1.61 2.12 -1.26 -4.98 118.70 119.01 2nef s GLU 63 Ca -0.14 1.46 0.00 0.00 0.36 0.00 0.00 54.97 56.65 2nef s GLU 63 Cb -0.08 -3.77 0.00 0.00 0.26 0.00 0.00 34.13 30.55 2nef s GLU 63 CO 0.01 -0.81 0.00 0.39 -0.54 0.00 0.00 175.26 174.32 2nef n GLU 64 N 6.74 0.00 -1.84 4.30 -0.58 -1.26 -5.15 120.64 122.85 2nef n GLU 64 Ca 0.14 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.57 2nef n GLU 64 Cb 0.46 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.34 2nef n GLU 64 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2nef s GLU 65 N -0.66 3.51 -0.07 3.49 2.02 -1.26 -4.91 118.70 120.82 2nef s GLU 65 Ca 0.00 0.78 -0.02 0.00 0.02 0.00 0.00 54.97 55.75 2nef s GLU 65 Cb 0.00 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 32.11 2nef s GLU 65 CO 0.00 -0.64 2.56 0.28 0.02 0.00 0.00 175.26 177.48 2nef n VAL 66 N -2.78 2.49 0.00 2.63 0.31 -1.26 -4.90 118.33 114.83 2nef n VAL 66 Ca 0.06 -1.12 0.00 0.00 -0.01 0.00 0.00 64.34 63.28 2nef n VAL 66 Cb 0.54 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 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 1.63 0.36 3.84 2.92 0.00 -1.26 -4.41 105.19 108.27 2nef n GLY 67 Ca 0.20 0.39 -0.33 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 3.45 -0.33 1.61 0.08 -1.26 -5.01 117.98 116.53 2nef s PHE 68 Ca 0.00 1.21 -0.29 0.00 0.12 0.00 0.00 56.93 57.97 2nef s PHE 68 Cb 0.00 -2.52 -0.01 0.00 -0.57 0.00 0.00 43.02 39.93 2nef s PHE 68 CO 0.00 0.18 1.49 -1.25 -0.10 0.00 0.00 175.22 175.54 2nef s PRO 69 N -2.69 3.68 0.00 0.24 0.04 -1.26 -5.01 135.00 129.99 2nef s PRO 69 Ca 0.50 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2nef s PRO 69 Cb -0.12 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2nef s PRO 69 CO 0.19 -1.43 0.00 1.33 0.04 0.00 0.00 177.00 177.12 2nef n VAL 70 N 6.75 0.00 -3.38 -0.36 0.24 -1.26 -5.01 118.33 115.32 2nef n VAL 70 Ca 0.18 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 62.03 2nef n VAL 70 Cb 0.47 -1.89 -0.07 0.00 -1.47 0.00 0.00 33.84 30.88 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 0.20 5.22 0.00 3.34 -4.23 -1.26 -5.08 115.64 113.83 2nef s THR 71 Ca 0.00 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 2nef s THR 71 Cb 0.00 -4.15 0.00 0.00 1.34 0.00 0.00 72.50 69.69 2nef s THR 71 CO 0.00 -0.61 0.00 -2.65 -0.54 0.00 0.00 174.62 170.82 2nef n PRO 72 N 5.23 1.61 -1.43 3.99 -0.02 -1.26 -4.16 135.00 138.96 2nef n PRO 72 Ca -0.12 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.01 2nef n PRO 72 Cb 0.43 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.75 2nef n PRO 72 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2nef n GLN 73 N 0.00 0.00 -2.90 -0.52 3.00 -1.26 -4.69 117.38 111.00 2nef n GLN 73 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2nef n GLN 73 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 30.24 28.88 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2nef s VAL 74 N 6.65 4.75 -0.34 5.09 -7.23 -1.26 -4.91 120.40 123.14 2nef s VAL 74 Ca 1.29 0.72 -0.32 0.00 -1.81 0.00 0.00 61.98 61.86 2nef s VAL 74 Cb -1.11 -3.70 -0.14 0.00 0.56 0.00 0.00 36.38 31.99 2nef s VAL 74 CO 0.48 -0.45 1.20 -2.65 -0.31 0.00 0.00 175.10 173.38 2nef n PRO 75 N -1.09 0.00 -1.70 4.82 -0.02 -1.26 -4.68 135.00 131.07 2nef n PRO 75 Ca 0.03 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.18 2nef n PRO 75 Cb 0.54 -1.03 -0.04 0.00 -0.02 0.00 0.00 33.50 32.95 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 2.62 3.29 0.93 2.45 1.43 -1.26 -4.95 118.68 123.18 2nef s LEU 76 Ca 0.75 0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 54.39 2nef s LEU 76 Cb -1.03 -2.52 0.20 0.00 0.03 0.00 0.00 46.19 42.87 2nef s LEU 76 CO 0.54 -2.91 1.27 -0.13 0.23 0.00 0.00 176.35 175.35 2nef s ARG 77 N 8.01 0.72 -0.18 1.70 0.52 -1.26 -5.04 118.95 123.42 2nef s ARG 77 Ca 0.88 -0.65 -0.17 0.00 -0.52 0.00 0.00 55.73 55.27 2nef s ARG 77 Cb -0.15 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 2nef s ARG 77 CO 0.21 -2.29 0.44 -1.25 0.02 0.00 0.00 175.30 172.42 2nef s PRO 78 N -5.76 4.23 -0.47 3.54 0.04 -1.26 -4.95 135.00 130.38 2nef s PRO 78 Ca 0.74 0.30 -0.27 0.00 0.04 0.00 0.00 61.00 61.81 2nef s PRO 78 Cb -0.03 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 2nef s PRO 78 CO 0.52 0.01 2.03 1.41 0.04 0.00 0.00 177.00 181.00 2nef s MET 79 N 1.14 2.72 0.29 4.56 1.75 -1.26 -4.95 119.30 123.56 2nef s MET 79 Ca 0.22 1.18 -0.15 0.00 -1.25 0.00 0.00 55.69 55.69 2nef s MET 79 Cb -0.15 -4.39 -0.09 0.00 2.84 0.00 0.00 34.83 33.04 2nef s MET 79 CO 0.09 -2.59 0.71 0.95 -0.65 0.00 0.00 175.02 173.52 2nef s THR 80 N 9.29 4.70 0.24 10.11 -4.23 -1.26 -4.88 115.64 129.60 2nef s THR 80 Ca 0.82 0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 62.22 2nef s THR 80 Cb -0.18 -3.65 0.21 0.00 1.34 0.00 0.00 72.50 70.22 2nef s THR 80 CO 0.27 -0.11 1.74 0.10 -0.54 0.00 0.00 174.62 176.08 2nef h TYR 81 N 2.47 0.57 0.00 3.99 -0.00 -1.92 2.55 116.97 124.63 2nef h TYR 81 Ca -0.48 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.28 2nef h TYR 81 Cb 1.18 -0.14 -0.00 0.00 0.00 0.00 0.00 36.73 37.77 2nef h TYR 81 CO 0.62 0.11 -0.04 -0.22 -0.00 0.00 0.00 178.16 178.63 2nef h LYS 82 N 0.50 0.00 -0.73 0.10 3.64 -1.92 -1.69 116.57 116.48 2nef h LYS 82 Ca 0.41 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 2nef h LYS 82 Cb 0.58 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2nef h LYS 82 CO -0.37 0.04 0.32 0.00 -2.27 0.00 0.00 179.45 177.17 2nef h ALA 83 N 1.96 0.94 -0.19 5.00 0.00 0.41 0.45 119.26 127.82 2nef h ALA 83 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2nef h ALA 83 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2nef h ALA 83 CO 0.01 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.88 2nef h ALA 84 N 1.16 0.25 -0.15 0.00 0.00 -0.72 0.39 119.26 120.19 2nef h ALA 84 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2nef h ALA 84 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2nef h ALA 84 CO -0.03 -0.19 0.05 0.28 0.00 0.00 0.00 179.25 179.37 2nef h VAL 85 N 0.18 1.17 -0.44 0.00 2.07 -1.38 0.89 116.25 118.73 2nef h VAL 85 Ca 0.07 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.08 2nef h VAL 85 Cb 0.13 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2nef h VAL 85 CO -0.01 0.16 0.28 0.44 0.02 0.00 0.00 177.57 178.46 2nef h ASP 86 N 0.07 0.47 -0.76 0.57 5.19 -0.79 -1.61 116.42 119.56 2nef h ASP 86 Ca 0.05 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 2nef h ASP 86 Cb 0.20 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 2nef h ASP 86 CO -0.00 0.34 0.32 0.25 -3.12 0.00 0.00 179.24 177.03 2nef h LEU 87 N 0.57 1.03 -0.17 1.55 5.85 0.11 0.44 115.31 124.68 2nef h LEU 87 Ca 0.17 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2nef h LEU 87 Cb -0.04 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 2nef h LEU 87 CO -0.05 0.91 -0.23 0.77 -0.34 0.00 0.00 178.44 179.50 2nef h SER 88 N 1.08 -0.72 0.75 1.25 4.64 0.17 -0.75 113.55 119.99 2nef h SER 88 Ca 0.25 0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.59 2nef h SER 88 Cb 0.19 0.33 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2nef h SER 88 CO -0.02 -0.27 -0.51 0.45 -0.87 0.00 0.00 176.83 175.61 2nef h HIS 89 N -0.27 0.00 0.92 4.77 3.86 -1.20 -2.60 115.15 120.63 2nef h HIS 89 Ca 0.11 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2nef h HIS 89 Cb 0.44 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.92 2nef h HIS 89 CO -0.35 0.51 -0.45 0.35 0.86 0.00 0.00 177.93 178.85 2nef h PHE 90 N 0.00 -1.15 0.00 2.45 3.57 0.37 -1.97 116.94 120.21 2nef h PHE 90 Ca -0.01 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2nef h PHE 90 Cb 1.02 0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.14 2nef h PHE 90 CO 0.00 -0.72 0.00 -0.07 -2.23 0.00 0.00 178.31 175.29 2nef h LEU 91 N -1.24 0.00 -2.51 0.59 3.38 -1.21 -2.37 115.31 111.95 2nef h LEU 91 Ca -0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2nef h LEU 91 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2nef h LEU 91 CO 0.21 0.00 -0.02 0.50 0.09 0.00 0.00 178.44 179.21 2nef h LYS 92 N 0.00 0.00 0.00 1.13 3.64 -0.94 0.45 116.57 120.85 2nef h LYS 92 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2nef h LYS 92 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2nef h LYS 92 CO 0.00 0.02 0.00 0.39 -2.27 0.00 0.00 179.45 177.59 2nef n GLU 93 N -3.52 0.00 0.07 1.90 1.02 -0.89 -4.56 120.64 114.65 2nef n GLU 93 Ca -0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 2nef n GLU 93 Cb 0.11 -0.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.91 2nef n GLU 93 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2nef h LYS 94 N 0.00 0.19 -5.15 3.49 1.57 -1.76 -3.42 116.57 111.49 2nef h LYS 94 Ca 0.00 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2nef h LYS 94 Cb 0.00 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2nef h LYS 94 CO 0.00 1.07 0.01 0.41 -0.57 0.00 0.00 179.45 180.37 2nef n GLY 95 N 1.57 -0.38 2.18 3.86 0.00 0.16 -4.75 105.19 107.84 2nef n GLY 95 Ca -0.12 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 2nef n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nef n GLY 96 N 6.32 3.09 0.08 -0.02 0.00 -1.26 -4.30 105.19 109.11 2nef n GLY 96 Ca 0.42 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 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 5.89 0.00 -9.72 0.99 5.85 -1.85 -3.42 115.31 113.06 2nef h LEU 97 Ca 0.35 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.50 2nef h LEU 97 Cb 0.96 0.00 0.15 0.00 0.37 0.00 0.00 40.66 42.14 2nef h LEU 97 CO 0.73 0.85 0.08 1.21 -0.34 0.00 0.00 178.44 180.96 2nef n GLU 98 N -3.28 1.04 -0.39 1.25 0.00 -1.26 -0.82 120.64 117.18 2nef n GLU 98 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.54 2nef n GLU 98 Cb 0.89 -2.06 0.00 0.00 0.00 0.00 0.00 31.44 30.26 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 1.31 0.00 3.64 8.31 0.00 0.35 -4.87 105.19 113.93 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 4.02 -0.40 0.99 2.96 0.00 -4.71 118.68 121.54 2nef s LEU 100 Ca 0.00 1.49 -0.27 0.00 -0.22 0.00 0.00 54.13 55.13 2nef s LEU 100 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.10 2nef s LEU 100 CO 0.00 -0.97 2.27 -0.63 -1.32 0.00 0.00 176.35 175.69 2nef s ILE 101 N 4.13 3.06 -0.46 6.68 -1.09 -1.26 -2.33 121.20 129.93 2nef s ILE 101 Ca 0.58 0.05 -0.27 0.00 -2.23 0.00 0.00 60.65 58.78 2nef s ILE 101 Cb -0.20 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 37.53 2nef s ILE 101 CO 0.21 -0.10 1.91 -2.28 -1.23 0.00 0.00 174.94 173.45 2nef s HIS 102 N 10.33 1.64 0.00 3.97 5.65 0.87 -4.89 115.29 132.86 2nef s HIS 102 Ca 0.95 0.80 0.00 0.00 0.25 0.00 0.00 55.06 57.06 2nef s HIS 102 Cb -0.23 -4.04 0.00 0.00 -1.18 0.00 0.00 32.58 27.13 2nef s HIS 102 CO 0.29 -2.69 0.31 0.45 -0.65 0.00 0.00 174.74 172.46 2nef n SER 103 N 11.96 0.00 0.00 9.88 2.88 -1.26 -3.41 113.62 133.67 2nef n SER 103 Ca 0.24 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2nef n SER 103 Cb 0.50 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 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 -1.09 0.00 0.17 -1.46 0.00 -1.26 -4.84 117.38 108.90 2nef n GLN 104 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.11 2nef n GLN 104 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 30.24 30.33 2nef n GLN 104 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 2nef h ARG 105 N 0.00 0.00 -0.48 3.69 2.43 -2.00 -3.29 114.38 114.73 2nef h ARG 105 Ca 0.00 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2nef h ARG 105 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2nef h ARG 105 CO 0.00 0.05 0.33 0.00 -1.51 0.00 0.00 179.97 178.84 2nef h ARG 106 N 0.00 0.27 -0.45 0.20 2.47 -1.95 -1.32 114.38 113.60 2nef h ARG 106 Ca -0.01 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2nef h ARG 106 Cb 1.05 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.29 2nef h ARG 106 CO 0.01 0.18 0.20 0.37 0.56 0.00 0.00 179.97 181.28 2nef h GLN 107 N 0.27 0.65 -0.79 0.04 4.15 -1.97 -2.72 115.11 114.75 2nef h GLN 107 Ca 0.22 -0.11 0.04 0.00 0.77 0.00 0.00 58.65 59.57 2nef h GLN 107 Cb 0.51 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.04 2nef h GLN 107 CO -0.05 0.58 0.50 -0.44 -1.93 0.00 0.00 178.83 177.49 2nef h ASP 108 N 0.58 0.81 -0.62 -0.69 5.19 -1.45 -1.84 116.42 118.41 2nef h ASP 108 Ca 0.15 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2nef h ASP 108 Cb 0.15 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 2nef h ASP 108 CO -0.02 0.55 0.38 0.40 -3.12 0.00 0.00 179.24 177.44 2nef h ILE 109 N 0.96 1.18 0.53 0.35 2.04 -1.31 -0.94 117.51 120.31 2nef h ILE 109 Ca 0.32 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2nef h ILE 109 Cb 0.05 0.29 0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2nef h ILE 109 CO -0.13 0.18 -0.25 0.25 0.00 0.00 0.00 178.15 178.20 2nef h LEU 110 N 0.86 -0.60 -1.19 1.44 5.85 -1.08 -0.06 115.31 120.54 2nef h LEU 110 Ca 0.23 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.13 2nef h LEU 110 Cb -0.04 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 2nef h LEU 110 CO -0.04 -0.37 0.60 0.44 -0.34 0.00 0.00 178.44 178.73 2nef h ASP 111 N -0.83 0.72 0.38 1.25 5.19 -1.44 -1.89 116.42 119.79 2nef h ASP 111 Ca -0.07 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2nef h ASP 111 Cb 0.54 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.98 2nef h ASP 111 CO 0.12 0.33 -0.18 0.25 -3.12 0.00 0.00 179.24 176.64 2nef h LEU 112 N 0.74 -0.43 -0.70 1.55 5.85 -1.08 -2.10 115.31 119.15 2nef h LEU 112 Ca 0.50 -0.12 0.14 0.00 0.84 0.00 0.00 57.88 59.24 2nef h LEU 112 Cb 0.78 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.81 2nef h LEU 112 CO -0.26 -0.10 0.16 -0.25 -0.34 0.00 0.00 178.44 177.65 2nef h TRP 113 N -0.78 0.25 -0.25 1.25 7.01 -0.48 0.92 115.95 123.87 2nef h TRP 113 Ca -0.05 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.04 2nef h TRP 113 Cb 0.52 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 2nef h TRP 113 CO 0.01 -0.07 0.17 0.82 -2.79 0.00 0.00 178.44 176.58 2nef h ILE 114 N 0.27 0.93 0.32 2.65 1.08 -1.25 -2.94 117.51 118.58 2nef h ILE 114 Ca 0.38 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.80 2nef h ILE 114 Cb 0.63 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 2nef h ILE 114 CO -0.48 0.02 -0.15 0.22 -0.69 0.00 0.00 178.15 177.06 2nef h TYR 115 N 0.10 -0.40 0.00 1.37 3.20 0.16 0.14 116.97 121.54 2nef h TYR 115 Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2nef h TYR 115 Cb 0.32 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2nef h TYR 115 CO -0.00 -0.25 0.00 0.72 -1.64 0.00 0.00 178.16 176.99 2nef n HIS 116 N -3.43 0.00 0.00 -3.82 8.25 -1.00 -1.47 115.22 113.75 2nef n HIS 116 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2nef n HIS 116 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.64 0.00 0.71 1.59 -2.24 -1.08 -4.24 114.28 108.38 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 -0.31 0.39 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.84 0.20 -1.35 -0.78 6.02 0.03 -4.54 117.38 116.13 2nef n GLN 118 Ca 0.00 0.14 -0.12 0.00 -0.01 0.00 0.00 57.00 57.01 2nef n GLN 118 Cb 0.00 -1.71 -0.05 0.00 1.02 0.00 0.00 30.24 29.50 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 1.36 1.25 3.71 1.08 0.00 0.27 -4.63 105.19 108.23 2nef n GLY 119 Ca 0.05 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.25 3.36 0.49 1.61 2.02 -1.25 -4.78 117.35 116.55 2nef s TYR 120 Ca 0.00 1.17 -0.20 0.00 -0.37 0.00 0.00 57.07 57.68 2nef s TYR 120 Cb 0.00 -3.52 -0.08 0.00 -0.40 0.00 0.00 41.96 37.96 2nef s TYR 120 CO 0.00 -1.70 1.01 -0.59 -1.57 0.00 0.00 175.55 172.71 2nef s PHE 121 N 1.04 3.11 -0.70 2.71 -0.12 -1.26 -4.57 117.98 118.19 2nef s PHE 121 Ca 0.61 1.57 -0.27 0.00 -0.05 0.00 0.00 56.93 58.78 2nef s PHE 121 Cb -0.32 -2.98 0.03 0.00 -0.63 0.00 0.00 43.02 39.11 2nef s PHE 121 CO 0.30 -0.65 1.32 -1.25 -0.05 0.00 0.00 175.22 174.89 2nef s PRO 122 N -3.40 3.19 0.00 1.99 0.04 -1.26 -4.61 135.00 130.95 2nef s PRO 122 Ca 0.65 -0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.61 2nef s PRO 122 Cb -0.14 -4.17 0.02 0.00 0.04 0.00 0.00 34.50 30.25 2nef s PRO 122 CO 0.21 -2.13 0.69 -0.40 0.04 0.00 0.00 177.00 175.42 2nef n ASP 123 N 9.54 -0.12 0.00 6.66 5.75 -1.26 -4.89 116.55 132.22 2nef n ASP 123 Ca 0.05 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 2nef n ASP 123 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.02 0.00 -2.36 2.11 4.27 -1.26 -5.01 117.44 115.21 2nef n TRP 124 Ca -0.04 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.14 2nef n TRP 124 Cb 0.59 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.52 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 -1.33 3.62 0.33 -2.67 0.74 -1.26 -4.46 119.66 114.62 2nef s GLN 125 Ca 0.00 0.97 -0.10 0.00 0.05 0.00 0.00 55.36 56.28 2nef s GLN 125 Cb 0.00 -4.01 0.02 0.00 1.10 0.00 0.00 33.01 30.12 2nef s GLN 125 CO 0.00 -1.51 0.58 -0.80 -0.55 0.00 0.00 175.29 173.01 2nef s ASN 126 N 3.77 0.35 0.11 6.67 0.01 -1.26 -5.08 114.94 119.52 2nef s ASN 126 Ca 0.60 -1.21 -0.25 0.00 -0.71 0.00 0.00 52.86 51.30 2nef s ASN 126 Cb -0.14 0.71 0.08 0.00 0.41 0.00 0.00 41.25 42.30 2nef s ASN 126 CO 0.31 -1.38 0.67 -0.31 -1.51 0.00 0.00 177.10 174.88 2nef s TYR 127 N -3.10 -0.51 0.57 2.20 1.51 -1.26 -3.06 117.35 113.70 2nef s TYR 127 Ca 0.23 0.36 -0.20 0.00 -1.01 0.00 0.00 57.07 56.46 2nef s TYR 127 Cb -0.02 0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 42.33 2nef s TYR 127 CO 0.14 -0.76 1.22 0.95 -1.11 0.00 0.00 175.55 175.99 2nef s THR 128 N -3.42 2.61 0.00 -0.71 -4.23 -1.02 -4.82 115.64 104.06 2nef s THR 128 Ca 0.01 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2nef s THR 128 Cb -0.01 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.66 2nef s THR 128 CO -0.10 -0.06 1.28 -0.81 -0.54 0.00 0.00 174.62 174.39 2nef n PRO 129 N -1.35 0.82 -0.57 3.99 -0.04 -1.26 -4.79 135.00 131.80 2nef n PRO 129 Ca 0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 2nef n PRO 129 Cb 0.49 -1.09 0.14 0.00 -0.04 0.00 0.00 33.50 33.00 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 130 N 1.16 -2.68 0.00 0.55 0.00 -1.26 -5.06 105.19 97.90 2nef n GLY 130 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.41 0.00 0.00 1.61 -0.04 -1.26 -4.91 135.00 126.99 2nef n PRO 131 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2nef n PRO 131 Cb 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 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 4.11 -1.20 3.29 0.55 0.00 -1.26 -4.84 105.19 105.83 2nef n GLY 132 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.90 0.00 -3.15 -0.61 -0.00 -1.26 -4.49 119.36 107.94 2nef n ILE 133 Ca 0.00 -0.32 0.05 0.00 -0.00 0.00 0.00 62.75 62.48 2nef n ILE 133 Cb 0.00 -0.66 -0.00 0.00 -0.00 0.00 0.00 39.64 38.98 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 -3.58 0.27 0.28 0.38 0.52 -1.00 -4.66 118.95 111.16 2nef s ARG 134 Ca 0.57 0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 55.94 2nef s ARG 134 Cb -0.13 0.13 -0.08 0.00 0.52 0.00 0.00 34.95 35.39 2nef s ARG 134 CO 0.65 -0.49 0.65 0.71 0.02 0.00 0.00 175.30 176.84 2nef s TYR 135 N 2.92 3.40 -0.08 -0.53 1.51 -1.26 -2.18 117.35 121.12 2nef s TYR 135 Ca 0.21 1.06 -0.30 0.00 -1.01 0.00 0.00 57.07 57.03 2nef s TYR 135 Cb -0.05 -2.41 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 2nef s TYR 135 CO -0.23 0.17 1.20 -1.25 -1.11 0.00 0.00 175.55 174.33 2nef s PRO 136 N -2.91 4.33 0.10 -1.71 0.04 -1.26 -2.45 135.00 131.14 2nef s PRO 136 Ca 0.51 1.65 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 2nef s PRO 136 Cb -0.11 -3.60 -0.07 0.00 0.04 0.00 0.00 34.50 30.77 2nef s PRO 136 CO 0.19 -0.49 1.58 -0.07 0.04 0.00 0.00 177.00 178.25 2nef h LEU 137 N 8.50 0.40-10.12 -3.56 3.38 -1.86 -3.43 115.31 108.64 2nef h LEU 137 Ca -0.32 -0.24 -0.54 0.00 0.09 0.00 0.00 57.88 56.87 2nef h LEU 137 Cb 1.15 -0.11 0.14 0.00 0.09 0.00 0.00 40.66 41.93 2nef h LEU 137 CO 0.90 0.54 0.48 0.42 0.09 0.00 0.00 178.44 180.86 2nef s THR 138 N -5.26 2.34 0.27 0.22 -4.23 -1.26 -5.00 115.64 102.72 2nef s THR 138 Ca -0.14 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2nef s THR 138 Cb 0.08 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 2nef s THR 138 CO 0.74 -0.05 0.46 0.12 -0.54 0.00 0.00 174.62 175.35 2nef s PHE 139 N -1.58 3.48 0.00 3.99 5.36 -1.26 -4.31 117.98 123.67 2nef s PHE 139 Ca 0.79 0.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.09 2nef s PHE 139 Cb -0.33 -1.86 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 2nef s PHE 139 CO 0.38 0.27 0.00 0.41 -1.46 0.00 0.00 175.22 174.81 2nef n GLY 140 N -1.23 2.61 3.55 13.12 0.00 -1.26 -4.87 105.19 117.12 2nef n GLY 140 Ca -0.05 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.24 2.07 -0.06 1.61 -0.00 -1.26 -3.41 118.94 116.65 2nef s TRP 141 Ca 0.00 0.18 -0.00 0.00 -0.00 0.00 0.00 56.10 56.28 2nef s TRP 141 Cb 0.00 -4.42 0.05 0.00 -0.00 0.00 0.00 33.47 29.09 2nef s TRP 141 CO 0.00 -2.12 1.89 0.00 -0.00 0.00 0.00 176.95 176.72 2nef s TYR 143 N -0.37 2.87 -0.09 0.00 2.02 -1.26 -1.68 117.35 118.84 2nef s TYR 143 Ca 0.06 -0.92 0.01 0.00 -0.37 0.00 0.00 57.07 55.85 2nef s TYR 143 Cb 0.05 -1.97 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 2nef s TYR 143 CO 0.00 -0.45 -0.10 -1.59 -1.57 0.00 0.00 175.55 171.84 2nef s LYS 144 N 0.99 1.64 0.44 -0.62 -2.85 -1.17 -4.23 119.74 113.93 2nef s LYS 144 Ca -0.01 -0.34 -0.22 0.00 -1.00 0.00 0.00 55.97 54.40 2nef s LYS 144 Cb -0.15 -1.51 -0.10 0.00 -2.06 0.00 0.00 37.83 34.02 2nef s LYS 144 CO -0.01 -0.12 1.00 -0.51 0.10 0.00 0.00 175.35 175.81 2nef s LEU 145 N 1.17 3.96 -0.23 2.77 1.43 -0.93 -1.68 118.68 125.17 2nef s LEU 145 Ca -0.05 1.86 -0.18 0.00 -1.03 0.00 0.00 54.13 54.73 2nef s LEU 145 Cb -0.14 -4.45 0.06 0.00 0.03 0.00 0.00 46.19 41.69 2nef s LEU 145 CO -0.02 -0.54 0.59 -0.69 0.23 0.00 0.00 176.35 175.92 2nef s VAL 146 N -1.97 -0.00 0.94 -1.59 1.01 -0.94 -2.38 120.40 115.47 2nef s VAL 146 Ca 0.63 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.49 2nef s VAL 146 Cb -0.15 -0.84 0.16 0.00 0.00 0.00 0.00 36.38 35.55 2nef s VAL 146 CO 0.19 0.01 1.14 -2.16 0.00 0.00 0.00 175.10 174.27 2nef s PRO 147 N 0.75 0.90 -1.20 2.72 0.04 -1.26 -1.78 135.00 135.16 2nef s PRO 147 Ca -0.03 0.27 -0.18 0.00 0.04 0.00 0.00 61.00 61.10 2nef s PRO 147 Cb -0.05 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.77 2nef s PRO 147 CO -0.06 -2.36 1.57 0.08 0.04 0.00 0.00 177.00 176.28 2nef s VAL 148 N -3.25 4.34 0.20 -0.36 1.01 -1.26 -4.77 120.40 116.32 2nef s VAL 148 Ca 0.65 -1.86 0.02 0.00 0.00 0.00 0.00 61.98 60.79 2nef s VAL 148 Cb -0.15 -5.08 -0.09 0.00 0.00 0.00 0.00 36.38 31.06 2nef s VAL 148 CO 0.54 -1.88 1.47 -0.33 0.00 0.00 0.00 175.10 174.90 2nef h GLU 149 N 7.96 0.28 -6.74 2.72 5.08 -1.97 -3.46 114.58 118.46 2nef h GLU 149 Ca 0.35 -0.23 -0.56 0.00 -1.00 0.00 0.00 59.36 57.92 2nef h GLU 149 Cb 0.91 0.05 0.18 0.00 0.50 0.00 0.00 28.75 30.39 2nef h GLU 149 CO 1.38 0.89 -0.20 -2.30 -1.00 0.00 0.00 179.01 177.77 2nef n PRO 150 N -3.80 0.44 -0.25 2.33 -0.02 -1.26 -4.96 135.00 127.48 2nef n PRO 150 Ca -0.03 0.19 -0.30 0.00 -2.02 0.00 0.00 63.50 61.34 2nef n PRO 150 Cb 0.70 -1.96 0.29 0.00 -0.02 0.00 0.00 33.50 32.51 2nef n PRO 150 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2nef n GLU 151 N -0.99 -4.68 -1.98 -0.52 0.00 -1.26 -4.81 120.64 106.41 2nef n GLU 151 Ca 0.11 -1.39 -0.42 0.00 0.00 0.00 0.00 57.16 55.47 2nef n GLU 151 Cb 0.49 -1.90 0.00 0.00 0.00 0.00 0.00 31.44 30.03 2nef n GLU 151 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2nef n LYS 152 N -5.53 3.31 -0.08 3.44 4.81 -1.26 -4.69 118.16 118.16 2nef n LYS 152 Ca 0.13 -3.01 0.01 0.00 -0.87 0.00 0.00 58.31 54.56 2nef n LYS 152 Cb 0.58 -3.07 0.04 0.00 0.02 0.00 0.00 35.03 32.60 2nef n LYS 152 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2nef n LEU 153 N 4.79 1.25 -4.78 3.14 7.94 -1.26 -4.86 117.00 123.23 2nef n LEU 153 Ca 0.49 -0.63 -0.38 0.00 -1.11 0.00 0.00 56.01 54.38 2nef n LEU 153 Cb 0.36 -0.41 -0.05 0.00 0.53 0.00 0.00 43.42 43.85 2nef n LEU 153 CO 0.85 0.25 0.69 -1.61 -1.11 0.00 0.00 177.39 176.47 2nef s GLU 154 N -1.36 4.49 1.01 1.96 8.01 -1.26 -5.04 118.70 126.51 2nef s GLU 154 Ca 0.06 1.46 -0.15 0.00 0.01 0.00 0.00 54.97 56.35 2nef s GLU 154 Cb 0.04 -2.82 0.20 0.00 -4.31 0.00 0.00 34.13 27.24 2nef s GLU 154 CO 0.02 0.17 1.18 -1.83 0.01 0.00 0.00 175.26 174.80 2nef s GLU 155 N -2.02 0.29 -1.12 1.61 -1.05 -1.26 -4.88 118.70 110.26 2nef s GLU 155 Ca 0.51 0.01 -0.22 0.00 -0.15 0.00 0.00 54.97 55.12 2nef s GLU 155 Cb -0.22 -1.77 0.01 0.00 -0.44 0.00 0.00 34.13 31.71 2nef s GLU 155 CO 0.28 -2.72 1.73 0.00 0.95 0.00 0.00 175.26 175.50 2nef s ALA 156 N -3.35 2.53 0.00 -0.84 0.00 -1.26 -4.06 121.76 114.79 2nef s ALA 156 Ca 0.69 -2.32 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2nef s ALA 156 Cb -0.11 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.41 2nef s ALA 156 CO 0.54 -4.06 0.00 0.09 0.00 0.00 0.00 175.76 172.33 2nef n ASN 157 N 10.77 0.00 -3.49 0.00 4.13 -1.26 -5.13 115.26 120.28 2nef n ASN 157 Ca 0.42 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.55 2nef n ASN 157 Cb 0.48 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.68 2nef n ASN 157 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2nef s LYS 158 N -0.28 1.00 0.25 3.52 -2.85 -1.26 -5.18 119.74 114.95 2nef s LYS 158 Ca 0.00 -0.14 -0.01 0.00 -1.00 0.00 0.00 55.97 54.83 2nef s LYS 158 Cb 0.00 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 2nef s LYS 158 CO 0.00 -0.39 0.34 -0.25 0.10 0.00 0.00 175.35 175.15 2nef n ASP 174 N 0.17 -0.94 -3.62 0.03 9.92 -1.26 -4.92 116.55 115.94 2nef n ASP 174 Ca -0.15 -2.38 -0.16 0.00 -0.53 0.00 0.00 54.79 51.58 2nef n ASP 174 Cb 0.61 1.77 -0.07 0.00 -0.64 0.00 0.00 41.12 42.79 2nef n ASP 174 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2nef s ASP 175 N -2.56 -0.49 0.00 -2.24 1.47 -1.26 -5.17 116.67 106.42 2nef s ASP 175 Ca 0.21 0.52 0.00 0.00 1.18 0.00 0.00 52.55 54.46 2nef s ASP 175 Cb -0.01 0.50 0.00 0.00 -0.34 0.00 0.00 42.92 43.07 2nef s ASP 175 CO 0.15 -0.53 0.00 -0.81 0.68 0.00 0.00 175.17 174.67 2nef n PRO 176 N 1.15 1.13 0.00 2.11 -0.04 -1.26 -4.80 135.00 133.29 2nef n PRO 176 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2nef n PRO 176 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2nef n PRO 176 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2nef n GLU 177 N 0.00 0.96 -2.52 0.54 0.28 -1.26 -4.68 120.64 113.96 2nef n GLU 177 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 2nef n GLU 177 Cb 0.00 -1.35 -0.03 0.00 1.43 0.00 0.00 31.44 31.49 2nef n GLU 177 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2nef s ARG 178 N -1.28 3.43 -0.54 3.44 1.81 -1.26 -4.94 118.95 119.61 2nef s ARG 178 Ca 0.00 -0.87 -0.28 0.00 -1.72 0.00 0.00 55.73 52.86 2nef s ARG 178 Cb 0.00 -5.11 0.01 0.00 -0.45 0.00 0.00 34.95 29.40 2nef s ARG 178 CO 0.00 -2.29 1.47 -1.21 -0.68 0.00 0.00 175.30 172.60 2nef s GLU 179 N 5.29 3.27 0.54 3.54 0.41 -1.26 -4.99 118.70 125.50 2nef s GLU 179 Ca 0.46 0.56 -0.02 0.00 -0.41 0.00 0.00 54.97 55.56 2nef s GLU 179 Cb -0.02 -4.14 0.02 0.00 -1.78 0.00 0.00 34.13 28.20 2nef s GLU 179 CO -0.04 -1.97 0.80 0.08 -0.49 0.00 0.00 175.26 173.64 2nef s VAL 180 N 6.30 3.38 -0.01 2.63 1.01 -1.26 -5.02 120.40 127.44 2nef s VAL 180 Ca 0.56 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.23 2nef s VAL 180 Cb -0.12 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2nef s VAL 180 CO 0.26 -0.25 -0.18 -0.76 0.00 0.00 0.00 175.10 174.16 2nef s LEU 181 N -4.81 2.54 0.06 3.92 1.43 -1.22 -4.03 118.68 116.57 2nef s LEU 181 Ca 0.53 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 2nef s LEU 181 Cb -0.10 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2nef s LEU 181 CO 0.41 0.31 -0.08 -1.83 0.23 0.00 0.00 176.35 175.38 2nef s GLU 182 N -0.96 2.33 -0.40 1.70 -1.05 -0.74 0.30 118.70 119.88 2nef s GLU 182 Ca 0.12 -0.88 -0.29 0.00 -0.15 0.00 0.00 54.97 53.77 2nef s GLU 182 Cb -0.10 -2.40 0.01 0.00 -0.44 0.00 0.00 34.13 31.20 2nef s GLU 182 CO 0.02 0.55 1.29 -1.58 0.95 0.00 0.00 175.26 176.49 2nef s TRP 183 N -1.11 2.62 -0.53 4.83 0.51 -0.98 -2.21 118.94 122.06 2nef s TRP 183 Ca 0.19 0.76 -0.17 0.00 -2.12 0.00 0.00 56.10 54.76 2nef s TRP 183 Cb -0.11 -4.22 0.10 0.00 -0.81 0.00 0.00 33.47 28.43 2nef s TRP 183 CO 0.11 -1.66 0.54 1.03 -0.51 0.00 0.00 176.95 176.47 2nef s ARG 184 N 4.56 3.02 0.30 4.98 1.81 -0.68 0.13 118.95 133.07 2nef s ARG 184 Ca 0.56 -1.42 -0.29 0.00 -1.72 0.00 0.00 55.73 52.86 2nef s ARG 184 Cb -0.12 -4.23 -0.10 0.00 -0.45 0.00 0.00 34.95 30.05 2nef s ARG 184 CO 0.29 -1.30 1.34 0.12 -0.68 0.00 0.00 175.30 175.07 2nef s PHE 185 N 2.02 3.07 -0.44 -0.53 2.19 -1.26 -3.05 117.98 119.98 2nef s PHE 185 Ca 0.07 1.30 0.07 0.00 0.33 0.00 0.00 56.93 58.71 2nef s PHE 185 Cb -0.26 -3.70 0.32 0.00 -1.31 0.00 0.00 43.02 38.07 2nef s PHE 185 CO 0.06 -2.03 1.01 -3.47 1.83 0.00 0.00 175.22 172.61 2nef n ASP 186 N 1.39 -1.64 0.14 6.13 2.03 -0.68 -4.97 116.55 118.96 2nef n ASP 186 Ca 0.02 -3.51 0.01 0.00 0.52 0.00 0.00 54.79 51.83 2nef n ASP 186 Cb 0.42 1.31 0.03 0.00 -0.72 0.00 0.00 41.12 42.16 2nef n ASP 186 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2nef n SER 187 N 0.46 0.03 0.12 1.67 3.41 -1.26 -0.13 113.62 117.92 2nef n SER 187 Ca 0.11 0.25 0.03 0.00 -0.26 0.00 0.00 58.87 59.00 2nef n SER 187 Cb 0.68 -0.05 0.43 0.00 -0.26 0.00 0.00 64.21 65.01 2nef n SER 187 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2nef h ARG 188 N 0.00 0.25 0.00 4.33 3.08 -1.93 -0.89 114.38 119.22 2nef h ARG 188 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2nef h ARG 188 Cb 1.35 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2nef h ARG 188 CO 0.00 0.32 0.00 1.28 -1.07 0.00 0.00 179.97 180.50 2nef n LEU 189 N -4.34 0.00 0.00 3.04 4.77 0.82 -2.09 117.00 119.20 2nef n LEU 189 Ca -0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2nef n LEU 189 Cb 0.22 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.74 2nef n LEU 189 CO 0.37 0.00 0.66 0.00 -1.33 0.00 0.00 177.39 177.09 2nef n ALA 190 N -0.88 2.24 0.04 -1.18 0.00 -0.34 -4.09 120.51 116.31 2nef n ALA 190 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2nef n ALA 190 Cb 0.01 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.85 -0.60 -1.47 0.00 3.72 -0.89 -4.95 117.46 112.42 2nef n PHE 191 Ca 0.11 0.11 -0.29 0.00 -0.05 0.00 0.00 57.45 57.32 2nef n PHE 191 Cb 0.05 0.30 0.13 0.00 -0.94 0.00 0.00 39.48 39.02 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 -1.41 2.55 -0.28 1.38 3.76 -1.26 -5.05 115.29 114.99 2nef s HIS 192 Ca 0.00 0.99 -0.04 0.00 -0.15 0.00 0.00 55.06 55.86 2nef s HIS 192 Cb 0.00 -3.27 0.10 0.00 1.11 0.00 0.00 32.58 30.51 2nef s HIS 192 CO 0.00 -2.25 0.12 -3.38 -0.85 0.00 0.00 174.74 168.38 2nef s HIS 193 N -3.18 0.37 -0.02 1.40 -3.43 -1.26 -4.71 115.29 104.45 2nef s HIS 193 Ca 0.63 -0.85 -0.20 0.00 -0.80 0.00 0.00 55.06 53.84 2nef s HIS 193 Cb -0.15 -0.91 -0.33 0.00 -1.43 0.00 0.00 32.58 29.76 2nef s HIS 193 CO 0.54 -0.80 0.92 0.52 -2.00 0.00 0.00 174.74 173.93 2nef h MET 194 N 8.40 0.38 -1.10 -0.38 2.86 -1.96 -3.26 114.93 119.87 2nef h MET 194 Ca -0.19 -0.65 0.32 0.00 -2.06 0.00 0.00 59.70 57.11 2nef h MET 194 Cb 1.03 0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.89 2nef h MET 194 CO 0.42 1.31 0.93 0.00 1.06 0.00 0.00 176.91 180.64 2nef h ALA 195 N 0.10 2.98 -0.18 6.32 0.00 -1.95 1.17 119.26 127.70 2nef h ALA 195 Ca -0.18 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2nef h ALA 195 Cb 1.83 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2nef h ALA 195 CO 0.19 -1.50 -0.61 -0.09 0.00 0.00 0.00 179.25 177.24 2nef h ARG 196 N 0.00 0.60 0.00 0.00 2.43 -1.92 -2.75 114.38 112.75 2nef h ARG 196 Ca 0.52 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2nef h ARG 196 Cb 2.38 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.99 2nef h ARG 196 CO -0.01 1.03 0.00 1.49 -1.51 0.00 0.00 179.97 180.98 2nef h GLU 197 N 0.45 0.00 0.00 0.20 4.22 0.13 -3.24 114.58 116.33 2nef h GLU 197 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2nef h GLU 197 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2nef h GLU 197 CO 0.12 0.00 0.00 1.28 -2.18 0.00 0.00 179.01 178.23 2nef n LEU 198 N -2.80 0.75 -3.25 1.64 7.99 -0.88 -4.86 117.00 115.59 2nef n LEU 198 Ca 0.02 0.42 -0.18 0.00 -0.01 0.00 0.00 56.01 56.26 2nef n LEU 198 Cb 0.33 -0.35 -0.07 0.00 -0.11 0.00 0.00 43.42 43.21 2nef n LEU 198 CO 0.26 -0.35 -0.16 -1.00 -1.51 0.00 0.00 177.39 174.63 2nef s HIS 199 N -0.94 -0.09 -0.47 -1.77 3.76 -1.16 -5.11 115.29 109.52 2nef s HIS 199 Ca 0.00 -1.29 -0.24 0.00 -0.15 0.00 0.00 55.06 53.38 2nef s HIS 199 Cb 0.00 -0.44 0.03 0.00 1.11 0.00 0.00 32.58 33.28 2nef s HIS 199 CO 0.00 -0.98 0.86 -1.25 -0.85 0.00 0.00 174.74 172.52 2nef s PRO 200 N 0.85 3.43 0.00 8.40 0.04 -1.22 -4.91 135.00 141.59 2nef s PRO 200 Ca 0.25 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.23 2nef s PRO 200 Cb -0.06 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.52 2nef s PRO 200 CO -0.08 -1.23 0.00 0.39 0.04 0.00 0.00 177.00 176.12 2nef n GLU 201 N 7.01 0.00 0.00 4.56 4.71 -1.26 -4.77 120.64 130.89 2nef n GLU 201 Ca 0.03 0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.32 2nef n GLU 201 Cb 0.48 0.00 0.81 0.00 -1.01 0.00 0.00 31.44 31.72 2nef n GLU 201 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2nef n TYR 202 N -1.16 0.00 -3.24 -0.32 4.01 -1.26 -4.76 117.16 110.43 2nef n TYR 202 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 2nef n TYR 202 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 2nef n TYR 202 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2nef s PHE 203 N -2.00 3.59 -0.26 -0.72 0.40 -1.26 -5.05 117.98 112.69 2nef s PHE 203 Ca 0.41 1.06 -0.26 0.00 -0.60 0.00 0.00 56.93 57.54 2nef s PHE 203 Cb 0.19 -2.60 0.10 0.00 0.51 0.00 0.00 43.02 41.22 2nef s PHE 203 CO 0.32 0.24 0.92 0.21 0.70 0.00 0.00 175.22 177.61 2nef s LYS 204 N 0.30 0.63 1.10 0.44 2.20 -1.26 -5.00 119.74 118.15 2nef s LYS 204 Ca 0.30 0.66 -0.18 0.00 -0.36 0.00 0.00 55.97 56.39 2nef s LYS 204 Cb -0.17 0.31 0.14 0.00 -1.51 0.00 0.00 37.83 36.60 2nef s LYS 204 CO 0.14 -0.09 0.11 0.09 -0.36 0.00 0.00 175.35 175.24 2nef n ASN 205 N 2.18 -2.72 -0.10 1.43 4.13 -1.26 -5.24 115.26 113.68 2nef n ASN 205 Ca -0.13 -0.27 0.16 0.00 1.68 0.00 0.00 54.58 56.02 2nef n ASN 205 Cb 0.56 -0.87 0.86 0.00 -1.54 0.00 0.00 39.78 38.79 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54