#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3afa s ALA 12 N 0.00 1.10 0.13 2.89 0.00 -1.26 -4.93 121.76 119.69 3afa s ALA 12 Ca 0.00 0.43 -0.31 0.00 0.00 0.00 0.00 51.96 52.08 3afa s ALA 12 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 3afa s ALA 12 CO 0.00 -2.95 1.31 0.21 0.00 0.00 0.00 175.76 174.34 3afa s LYS 13 N -4.62 4.38 0.22 0.00 2.20 -1.26 -4.96 119.74 115.69 3afa s LYS 13 Ca 0.67 1.99 -0.31 0.00 -0.36 0.00 0.00 55.97 57.95 3afa s LYS 13 Cb -0.23 -3.25 -0.11 0.00 -1.51 0.00 0.00 37.83 32.73 3afa s LYS 13 CO 0.59 -0.32 1.62 0.00 -0.36 0.00 0.00 175.35 176.89 3afa s ALA 14 N 0.73 3.82 -0.17 3.13 0.00 -1.26 -5.02 121.76 122.99 3afa s ALA 14 Ca 0.60 1.50 -0.01 0.00 0.00 0.00 0.00 51.96 54.05 3afa s ALA 14 Cb -0.35 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.11 3afa s ALA 14 CO 0.33 -0.88 -0.12 0.15 0.00 0.00 0.00 175.76 175.24 3afa s LYS 15 N 0.68 3.30 0.55 0.00 -0.14 -1.26 -5.10 119.74 117.77 3afa s LYS 15 Ca 0.70 -0.70 -0.20 0.00 -1.36 0.00 0.00 55.97 54.41 3afa s LYS 15 Cb -0.47 -2.73 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 3afa s LYS 15 CO 0.36 0.01 1.16 0.95 -0.76 0.00 0.00 175.35 177.07 3afa s THR 16 N 0.87 2.97 0.34 2.17 -4.23 -1.26 -4.89 115.64 111.61 3afa s THR 16 Ca -0.03 0.62 0.18 0.00 -1.18 0.00 0.00 61.69 61.27 3afa s THR 16 Cb -0.15 -3.26 0.16 0.00 1.34 0.00 0.00 72.50 70.59 3afa s THR 16 CO -0.00 -0.12 1.88 0.03 -0.54 0.00 0.00 174.62 175.87 3afa h ARG 17 N 1.18 0.00 0.19 3.99 3.08 -1.98 -1.42 114.38 119.42 3afa h ARG 17 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 3afa h ARG 17 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3afa h ARG 17 CO 0.57 0.29 -0.09 0.77 -1.07 0.00 0.00 179.97 180.44 3afa h SER 18 N 0.00 -0.21 -0.87 7.04 0.02 -1.86 0.59 113.55 118.26 3afa h SER 18 Ca -0.00 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3afa h SER 18 Cb 0.60 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 3afa h SER 18 CO 0.04 0.02 0.56 0.77 -1.14 0.00 0.00 176.83 177.08 3afa h SER 19 N -0.44 0.93 -0.73 3.07 4.64 -1.67 0.90 113.55 120.25 3afa h SER 19 Ca -0.03 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3afa h SER 19 Cb 0.34 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 3afa h SER 19 CO 0.04 0.63 0.47 0.03 -0.87 0.00 0.00 176.83 177.13 3afa h ARG 20 N 1.08 0.90 0.00 4.77 3.08 -0.88 -1.48 114.38 121.86 3afa h ARG 20 Ca 0.35 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3afa h ARG 20 Cb 0.02 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3afa h ARG 20 CO -0.12 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.38 3afa h ALA 21 N 1.29 1.00 -1.24 0.04 0.00 0.23 -3.47 119.26 117.12 3afa h ALA 21 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3afa h ALA 21 Cb -0.04 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3afa h ALA 21 CO -0.09 0.00 -0.06 0.41 0.00 0.00 0.00 179.25 179.51 3afa n GLY 22 N 0.70 0.73 3.34 0.00 0.00 0.29 -5.05 105.19 105.19 3afa n GLY 22 Ca 0.03 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 3afa n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3afa s LEU 23 N -1.40 2.50 -0.11 0.99 1.43 -0.15 -5.00 118.68 116.94 3afa s LEU 23 Ca 0.04 -0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 52.12 3afa s LEU 23 Cb -0.02 -0.75 -0.27 0.00 0.03 0.00 0.00 46.19 45.18 3afa s LEU 23 CO 0.06 -0.10 0.40 1.56 0.23 0.00 0.00 176.35 178.49 3afa h GLN 24 N 2.88 0.27 -7.04 1.70 1.08 -1.95 -3.38 115.11 108.67 3afa h GLN 24 Ca -0.40 -0.47 -0.53 0.00 -1.45 0.00 0.00 58.65 55.80 3afa h GLN 24 Cb 1.22 0.17 0.11 0.00 -0.05 0.00 0.00 27.48 28.93 3afa h GLN 24 CO 0.57 1.22 0.56 -0.06 -0.95 0.00 0.00 178.83 180.17 3afa s PHE 25 N -2.55 2.49 -0.59 2.96 0.40 -1.26 -4.92 117.98 114.51 3afa s PHE 25 Ca -0.22 1.44 -0.27 0.00 -0.60 0.00 0.00 56.93 57.28 3afa s PHE 25 Cb 0.06 -3.63 -0.02 0.00 0.51 0.00 0.00 43.02 39.95 3afa s PHE 25 CO 0.77 -2.37 1.79 -1.25 0.70 0.00 0.00 175.22 174.86 3afa s PRO 26 N -2.87 2.78 0.20 0.24 0.04 -1.26 -4.76 135.00 129.37 3afa s PRO 26 Ca 0.69 0.64 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 3afa s PRO 26 Cb -0.36 -4.34 0.13 0.00 0.04 0.00 0.00 34.50 29.98 3afa s PRO 26 CO 0.42 -2.55 1.61 0.28 0.04 0.00 0.00 177.00 176.80 3afa h VAL 27 N 6.80 1.27 -0.31 -0.36 2.07 -1.91 -1.80 116.25 122.01 3afa h VAL 27 Ca -0.27 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 65.87 3afa h VAL 27 Cb 1.15 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3afa h VAL 27 CO 1.20 0.45 -0.01 1.23 0.02 0.00 0.00 177.57 180.46 3afa h GLY 28 N 0.94 0.59 0.82 2.17 0.00 -1.94 -1.48 103.07 104.18 3afa h GLY 28 Ca 0.11 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3afa h GLY 28 CO 0.06 0.40 -0.19 -0.09 0.00 0.00 0.00 176.54 176.72 3afa h ARG 29 N 0.34 -0.41 -0.70 4.80 9.65 -1.95 -1.46 114.38 124.65 3afa h ARG 29 Ca 0.09 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.07 3afa h ARG 29 Cb 0.45 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 3afa h ARG 29 CO 0.02 -0.27 0.46 0.28 2.80 0.00 0.00 179.97 183.25 3afa h VAL 30 N -0.43 0.97 -0.41 0.20 2.07 -1.29 0.56 116.25 117.92 3afa h VAL 30 Ca -0.01 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3afa h VAL 30 Cb 0.38 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3afa h VAL 30 CO -0.02 0.12 -0.23 -0.74 0.02 0.00 0.00 177.57 176.71 3afa h HIS 31 N 0.64 0.96 -0.20 1.57 -0.00 -0.82 -1.47 115.15 115.83 3afa h HIS 31 Ca 0.31 -0.23 -0.05 0.00 -0.00 0.00 0.00 60.37 60.40 3afa h HIS 31 Cb 0.38 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 3afa h HIS 31 CO -0.00 0.99 -0.08 -0.09 -0.00 0.00 0.00 177.93 178.75 3afa h ARG 32 N 0.73 0.41 -0.46 5.26 2.43 -0.13 -2.17 114.38 120.44 3afa h ARG 32 Ca 0.10 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3afa h ARG 32 Cb 0.77 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 3afa h ARG 32 CO 0.06 0.68 0.31 -0.07 -1.51 0.00 0.00 179.97 179.44 3afa h LEU 33 N 0.11 0.45 -0.21 3.80 3.38 -0.83 -0.54 115.31 121.46 3afa h LEU 33 Ca 0.05 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3afa h LEU 33 Cb 0.55 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3afa h LEU 33 CO 0.03 0.31 -0.21 -0.07 0.09 0.00 0.00 178.44 178.58 3afa h LEU 34 N 0.52 0.56 -1.11 1.67 3.38 -1.04 -2.24 115.31 117.05 3afa h LEU 34 Ca 0.18 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 3afa h LEU 34 Cb 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3afa h LEU 34 CO -0.05 0.92 -0.34 0.03 0.09 0.00 0.00 178.44 179.09 3afa h ARG 35 N 0.21 0.18 -0.14 1.13 3.08 -0.74 -3.02 114.38 115.08 3afa h ARG 35 Ca 0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3afa h ARG 35 Cb 0.76 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3afa h ARG 35 CO 0.05 0.51 0.00 1.63 -1.07 0.00 0.00 179.97 181.09 3afa n LYS 36 N -4.09 2.01 -0.12 0.04 5.02 -0.27 -4.14 118.16 116.60 3afa n LYS 36 Ca -0.01 -1.49 0.12 0.00 -2.02 0.00 0.00 58.31 54.90 3afa n LYS 36 Cb 0.42 -1.46 0.22 0.00 -0.02 0.00 0.00 35.03 34.19 3afa n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3afa n GLY 37 N 1.27 1.29 3.41 0.72 0.00 -0.84 -4.98 105.19 106.05 3afa n GLY 37 Ca 0.17 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 3afa n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3afa n ASN 38 N 1.26 -6.32 -0.05 1.61 3.02 -1.26 -4.92 115.26 108.59 3afa n ASN 38 Ca 0.18 -0.68 -0.04 0.00 -0.03 0.00 0.00 54.58 54.01 3afa n ASN 38 Cb 0.56 -4.24 -0.10 0.00 -0.61 0.00 0.00 39.78 35.40 3afa n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3afa n TYR 39 N -3.12 0.00 -3.57 3.10 4.01 -1.26 -5.06 117.16 111.26 3afa n TYR 39 Ca -0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.60 3afa n TYR 39 Cb 0.59 -0.56 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 3afa n TYR 39 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3afa s SER 40 N -4.36 -0.26 0.10 7.72 1.04 -1.26 -5.05 113.70 111.62 3afa s SER 40 Ca -0.06 -0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.08 3afa s SER 40 Cb 0.04 0.33 -0.13 0.00 0.10 0.00 0.00 66.02 66.36 3afa s SER 40 CO 0.50 -0.55 1.75 -0.08 0.98 0.00 0.00 173.24 175.84 3afa h GLU 41 N 2.00 0.05 -5.59 4.02 4.57 -1.98 -3.44 114.58 114.20 3afa h GLU 41 Ca -0.20 -0.00 -0.45 0.00 -1.18 0.00 0.00 59.36 57.52 3afa h GLU 41 Cb 1.22 -0.01 -0.20 0.00 -0.16 0.00 0.00 28.75 29.60 3afa h GLU 41 CO 0.28 0.03 -0.78 -0.98 -1.18 0.00 0.00 179.01 176.38 3afa s ARG 42 N -6.19 1.00 -0.13 1.92 1.70 -1.26 -5.10 118.95 110.89 3afa s ARG 42 Ca -0.13 -1.15 0.02 0.00 -0.47 0.00 0.00 55.73 54.00 3afa s ARG 42 Cb 0.07 -1.01 -0.00 0.00 -0.57 0.00 0.00 34.95 33.43 3afa s ARG 42 CO 0.67 0.22 -0.20 0.08 -1.08 0.00 0.00 175.30 174.99 3afa s VAL 43 N -1.66 2.39 0.76 4.99 1.01 -1.26 -5.11 120.40 121.51 3afa s VAL 43 Ca 0.05 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 3afa s VAL 43 Cb -0.08 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.39 3afa s VAL 43 CO 0.03 0.54 1.09 -0.83 0.00 0.00 0.00 175.10 175.94 3afa s GLY 44 N 0.55 1.73 0.36 4.51 0.00 -1.26 -4.96 107.32 108.25 3afa s GLY 44 Ca -0.12 0.30 0.12 0.00 0.00 0.00 0.00 44.72 45.02 3afa s GLY 44 CO 0.04 0.64 1.81 0.00 0.00 0.00 0.00 173.10 175.59 3afa h ALA 45 N -0.98 1.34 0.00 3.20 0.00 -2.04 -3.10 119.26 117.68 3afa h ALA 45 Ca -0.44 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 53.92 3afa h ALA 45 Cb 1.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3afa h ALA 45 CO 0.52 0.49 -0.93 0.78 0.00 0.00 0.00 179.25 180.10 3afa h GLY 46 N 1.16 0.00 -0.28 0.00 0.00 -2.01 -3.38 103.07 98.56 3afa h GLY 46 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3afa h GLY 46 CO 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.21 3afa h ALA 47 N 1.08 -0.28 -0.00 3.60 0.00 -1.93 0.72 119.26 122.46 3afa h ALA 47 Ca -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3afa h ALA 47 Cb 1.71 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 20.31 3afa h ALA 47 CO 0.12 -0.78 -0.19 -1.00 0.00 0.00 0.00 179.25 177.40 3afa h PRO 48 N -0.27 0.00 -0.07 0.00 0.13 -1.74 -0.66 132.00 129.39 3afa h PRO 48 Ca 0.17 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 3afa h PRO 48 Cb 0.56 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 3afa h PRO 48 CO -0.58 0.19 -0.09 0.28 -0.23 0.00 0.00 178.00 177.57 3afa h VAL 49 N 0.00 1.38 -0.83 1.56 2.07 -1.36 0.08 116.25 119.15 3afa h VAL 49 Ca -0.00 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 3afa h VAL 49 Cb 0.33 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 3afa h VAL 49 CO 0.02 0.36 0.36 0.22 0.02 0.00 0.00 177.57 178.55 3afa h TYR 50 N -0.26 1.23 -0.14 1.57 5.03 -0.64 -1.71 116.97 122.04 3afa h TYR 50 Ca 0.01 -0.08 -0.09 0.00 2.58 0.00 0.00 58.73 61.15 3afa h TYR 50 Cb 0.62 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.52 3afa h TYR 50 CO 0.10 0.91 -0.25 1.25 -1.32 0.00 0.00 178.16 178.84 3afa h LEU 51 N 1.19 0.46 -1.20 2.82 5.85 -1.12 -2.34 115.31 120.96 3afa h LEU 51 Ca 0.28 -0.55 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3afa h LEU 51 Cb 0.17 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3afa h LEU 51 CO -0.03 0.92 0.56 0.00 -0.34 0.00 0.00 178.44 179.55 3afa h ALA 52 N 0.55 1.54 -0.35 1.25 0.00 -0.85 -0.49 119.26 120.91 3afa h ALA 52 Ca 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3afa h ALA 52 Cb 0.83 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3afa h ALA 52 CO 0.06 0.35 0.04 0.00 0.00 0.00 0.00 179.25 179.69 3afa h ALA 53 N 1.53 0.47 -0.64 0.00 0.00 -1.24 -0.09 119.26 119.29 3afa h ALA 53 Ca 0.36 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3afa h ALA 53 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3afa h ALA 53 CO -0.13 0.19 0.08 0.28 0.00 0.00 0.00 179.25 179.67 3afa h VAL 54 N 0.42 1.26 -0.44 0.00 2.07 -0.93 0.58 116.25 119.21 3afa h VAL 54 Ca 0.11 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 3afa h VAL 54 Cb 0.38 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3afa h VAL 54 CO 0.01 0.39 -0.13 -0.07 0.02 0.00 0.00 177.57 177.79 3afa h LEU 55 N 1.00 0.89 -0.79 2.57 3.38 -0.97 -1.20 115.31 120.18 3afa h LEU 55 Ca 0.19 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3afa h LEU 55 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3afa h LEU 55 CO 0.02 1.06 -0.03 -0.08 0.09 0.00 0.00 178.44 179.49 3afa h GLU 56 N 0.71 0.88 -0.44 1.13 4.81 -0.77 -1.40 114.58 119.51 3afa h GLU 56 Ca 0.11 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 3afa h GLU 56 Cb 0.68 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3afa h GLU 56 CO 0.05 0.90 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.27 3afa h TYR 57 N 0.81 0.88 -0.44 0.92 3.20 -0.66 -1.15 116.97 120.53 3afa h TYR 57 Ca 0.15 -0.17 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 3afa h TYR 57 Cb 0.53 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3afa h TYR 57 CO 0.03 0.87 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.32 3afa h LEU 58 N 0.63 0.80 -1.41 2.82 3.38 -1.00 -0.79 115.31 119.74 3afa h LEU 58 Ca 0.12 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3afa h LEU 58 Cb 0.55 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3afa h LEU 58 CO 0.03 0.94 -0.03 0.71 0.09 0.00 0.00 178.44 180.17 3afa h THR 59 N 0.65 0.09 -0.10 0.22 1.35 -1.17 -2.11 112.91 111.83 3afa h THR 59 Ca 0.12 -0.60 -0.23 0.00 -0.55 0.00 0.00 66.41 65.15 3afa h THR 59 Cb 0.55 1.55 0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3afa h THR 59 CO 0.03 0.03 -0.85 0.00 -0.25 0.00 0.00 175.52 174.49 3afa h ALA 60 N 1.97 0.30 -0.33 6.62 0.00 -0.59 -2.06 119.26 125.17 3afa h ALA 60 Ca -0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 3afa h ALA 60 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3afa h ALA 60 CO 0.00 0.70 -0.01 1.49 0.00 0.00 0.00 179.25 181.43 3afa h GLU 61 N 0.47 0.59 -0.04 0.00 4.57 -0.76 -1.58 114.58 117.81 3afa h GLU 61 Ca -0.07 -0.19 -0.18 0.00 -1.18 0.00 0.00 59.36 57.73 3afa h GLU 61 Cb 1.48 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 3afa h GLU 61 CO 0.17 0.72 -0.76 -0.84 -1.18 0.00 0.00 179.01 177.12 3afa h ILE 62 N 0.38 1.42 -0.14 2.32 -0.00 -1.46 -2.81 117.51 117.23 3afa h ILE 62 Ca 0.09 -2.28 -0.11 0.00 -0.00 0.00 0.00 64.86 62.57 3afa h ILE 62 Cb 0.47 2.22 -0.01 0.00 -0.00 0.00 0.00 36.82 39.50 3afa h ILE 62 CO 0.02 0.67 -0.40 -0.07 -0.00 0.00 0.00 178.15 178.38 3afa h LEU 63 N 0.19 0.32 0.55 0.16 3.38 -1.34 0.12 115.31 118.70 3afa h LEU 63 Ca -0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3afa h LEU 63 Cb 1.34 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.01 3afa h LEU 63 CO 0.12 0.69 -0.27 -0.08 0.09 0.00 0.00 178.44 179.00 3afa h GLU 64 N 0.26 -0.72 -0.35 1.13 4.57 -1.22 0.18 114.58 118.43 3afa h GLU 64 Ca 0.02 0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.18 3afa h GLU 64 Cb 0.82 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 3afa h GLU 64 CO 0.06 -0.47 -0.09 -0.07 -1.18 0.00 0.00 179.01 177.27 3afa h LEU 65 N -0.77 0.57 -0.26 1.64 3.38 -1.39 -2.54 115.31 115.94 3afa h LEU 65 Ca -0.08 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.59 3afa h LEU 65 Cb 0.58 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3afa h LEU 65 CO 0.12 0.70 -0.48 0.00 0.09 0.00 0.00 178.44 178.87 3afa h ALA 66 N 1.37 0.41 -0.65 1.53 0.00 -0.63 -2.23 119.26 119.05 3afa h ALA 66 Ca 0.10 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.57 3afa h ALA 66 Cb 0.48 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3afa h ALA 66 CO 0.03 0.57 0.43 0.78 0.00 0.00 0.00 179.25 181.06 3afa h GLY 67 N 0.53 0.85 1.09 0.00 0.00 -0.49 0.36 103.07 105.41 3afa h GLY 67 Ca 0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 3afa h GLY 67 CO 0.11 0.23 -0.20 3.43 0.00 0.00 0.00 176.54 180.11 3afa h ASN 68 N 0.72 0.99 -0.51 0.19 2.35 -1.22 -1.05 115.58 117.05 3afa h ASN 68 Ca 0.27 -0.39 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 3afa h ASN 68 Cb 0.16 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3afa h ASN 68 CO -0.08 1.16 0.11 0.00 -1.65 0.00 0.00 177.43 176.97 3afa h ALA 69 N 0.86 1.14 -0.36 -0.83 0.00 -0.67 0.12 119.26 119.52 3afa h ALA 69 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3afa h ALA 69 Cb 0.77 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3afa h ALA 69 CO 0.06 0.57 0.20 0.00 0.00 0.00 0.00 179.25 180.09 3afa h ALA 70 N 1.28 0.47 -0.30 0.00 0.00 -0.65 -1.41 119.26 118.65 3afa h ALA 70 Ca 0.18 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3afa h ALA 70 Cb 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3afa h ALA 70 CO 0.00 -0.01 0.13 -0.09 0.00 0.00 0.00 179.25 179.28 3afa h ARG 71 N 0.47 0.28 -0.25 0.00 9.65 -0.22 0.77 114.38 125.08 3afa h ARG 71 Ca 0.13 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3afa h ARG 71 Cb 0.05 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 3afa h ARG 71 CO -0.02 0.18 0.16 -0.44 2.80 0.00 0.00 179.97 182.65 3afa h ASP 72 N 0.29 0.28 -0.46 -3.80 3.32 -0.46 0.50 116.42 116.10 3afa h ASP 72 Ca 0.13 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3afa h ASP 72 Cb 0.07 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3afa h ASP 72 CO -0.11 0.21 0.00 -3.20 -1.72 0.00 0.00 179.24 174.42 3afa n ASN 73 N -4.50 3.07 -3.65 6.45 5.15 -0.56 -4.92 115.26 116.30 3afa n ASN 73 Ca 0.01 -2.18 -0.26 0.00 -0.60 0.00 0.00 54.58 51.54 3afa n ASN 73 Cb 0.07 -0.42 0.05 0.00 -0.53 0.00 0.00 39.78 38.96 3afa n ASN 73 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3afa n LYS 74 N 0.78 -6.73 -4.42 1.20 5.02 0.17 -5.01 118.16 109.17 3afa n LYS 74 Ca 0.17 0.75 -0.26 0.00 -2.02 0.00 0.00 58.31 56.95 3afa n LYS 74 Cb 0.55 -5.72 -0.11 0.00 -0.02 0.00 0.00 35.03 29.72 3afa n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3afa s LYS 75 N -6.36 1.51 0.00 1.97 -0.14 0.18 -5.00 119.74 111.89 3afa s LYS 75 Ca 0.59 -1.55 0.12 0.00 -1.36 0.00 0.00 55.97 53.77 3afa s LYS 75 Cb -0.27 -1.76 -0.11 0.00 -1.68 0.00 0.00 37.83 34.00 3afa s LYS 75 CO 0.72 0.37 0.55 0.25 -0.76 0.00 0.00 175.35 176.48 3afa n THR 76 N 0.13 0.00 -3.88 2.17 -2.24 -1.26 -3.66 114.28 105.54 3afa n THR 76 Ca -0.11 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 3afa n THR 76 Cb 0.57 1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 69.68 3afa n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3afa s ARG 77 N -2.07 3.47 0.09 -0.78 3.52 -1.26 -5.05 118.95 116.88 3afa s ARG 77 Ca 0.05 -0.57 -0.31 0.00 -0.13 0.00 0.00 55.73 54.77 3afa s ARG 77 Cb 0.09 -3.11 -0.08 0.00 -1.56 0.00 0.00 34.95 30.30 3afa s ARG 77 CO 0.47 -0.18 1.45 0.42 -0.81 0.00 0.00 175.30 176.65 3afa s ILE 78 N 1.49 3.26 0.44 4.11 1.01 -1.26 -4.97 121.20 125.27 3afa s ILE 78 Ca 0.06 0.84 0.05 0.00 0.00 0.00 0.00 60.65 61.60 3afa s ILE 78 Cb -0.14 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 3afa s ILE 78 CO -0.01 0.04 0.01 0.27 0.00 0.00 0.00 174.94 175.25 3afa s ILE 79 N 1.54 1.72 0.21 2.92 -4.36 -1.26 -5.02 121.20 116.96 3afa s ILE 79 Ca 0.66 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.94 3afa s ILE 79 Cb -0.37 -2.73 0.21 0.00 1.25 0.00 0.00 42.46 40.81 3afa s ILE 79 CO 0.30 0.00 1.66 -0.65 0.24 0.00 0.00 174.94 176.49 3afa h PRO 80 N 1.64 0.10 -0.96 0.37 0.11 -1.89 -0.69 132.00 130.68 3afa h PRO 80 Ca -0.44 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.83 3afa h PRO 80 Cb 1.26 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 3afa h PRO 80 CO 0.79 0.07 0.61 -0.09 -0.21 0.00 0.00 178.00 179.16 3afa h ARG 81 N 0.10 0.71 -0.61 1.05 9.65 -1.79 0.16 114.38 123.66 3afa h ARG 81 Ca 0.32 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 59.10 3afa h ARG 81 Cb 0.53 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 3afa h ARG 81 CO -0.55 0.47 0.13 0.45 2.80 0.00 0.00 179.97 183.27 3afa h HIS 82 N 0.73 1.04 -0.60 2.20 3.86 -1.49 -0.74 115.15 120.15 3afa h HIS 82 Ca 0.51 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 59.61 3afa h HIS 82 Cb 0.82 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 3afa h HIS 82 CO -0.00 0.88 0.37 -0.07 0.86 0.00 0.00 177.93 179.97 3afa h LEU 83 N 0.89 0.62 0.33 2.43 3.38 -0.34 -1.89 115.31 120.73 3afa h LEU 83 Ca 0.19 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3afa h LEU 83 Cb 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3afa h LEU 83 CO 0.01 0.43 -0.16 1.56 0.09 0.00 0.00 178.44 180.37 3afa h GLN 84 N 0.74 -0.43 -0.98 1.13 1.08 -0.75 -0.79 115.11 115.12 3afa h GLN 84 Ca 0.23 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.60 3afa h GLN 84 Cb -0.01 0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.44 3afa h GLN 84 CO -0.09 -0.27 0.62 -0.07 -0.95 0.00 0.00 178.83 178.07 3afa h LEU 85 N -0.47 0.83 -0.26 1.46 3.38 -1.00 0.12 115.31 119.36 3afa h LEU 85 Ca -0.05 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3afa h LEU 85 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3afa h LEU 85 CO 0.07 0.41 -0.47 0.00 0.09 0.00 0.00 178.44 178.55 3afa h ALA 86 N 1.57 0.41 0.49 1.53 0.00 -1.05 -1.93 119.26 120.29 3afa h ALA 86 Ca 0.50 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3afa h ALA 86 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3afa h ALA 86 CO -0.27 0.57 -0.24 0.82 0.00 0.00 0.00 179.25 180.14 3afa h ILE 87 N 0.54 0.31 0.00 0.00 1.08 -0.40 -3.05 117.51 115.99 3afa h ILE 87 Ca 0.02 -0.48 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 3afa h ILE 87 Cb 1.08 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.28 3afa h ILE 87 CO 0.11 0.05 -0.11 0.03 -0.69 0.00 0.00 178.15 177.54 3afa h ARG 88 N -1.02 0.00 -0.00 2.37 2.47 -0.88 -2.17 114.38 115.15 3afa h ARG 88 Ca -0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3afa h ARG 88 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 3afa h ARG 88 CO 0.11 0.11 -0.27 0.09 0.56 0.00 0.00 179.97 180.57 3afa n ASN 89 N -3.59 0.32 -4.40 7.04 3.02 -0.73 -4.67 115.26 112.25 3afa n ASN 89 Ca -0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.14 3afa n ASN 89 Cb 0.24 -0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 39.22 3afa n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3afa s ASP 90 N -2.95 5.67 0.24 6.41 2.15 -0.83 -5.00 116.67 122.37 3afa s ASP 90 Ca 0.14 -0.83 -0.10 0.00 0.43 0.00 0.00 52.55 52.19 3afa s ASP 90 Cb 0.18 -2.02 0.37 0.00 -0.30 0.00 0.00 42.92 41.16 3afa s ASP 90 CO 0.61 -0.32 1.61 -0.08 -0.17 0.00 0.00 175.17 176.82 3afa h GLU 91 N 8.41 0.02 -0.26 4.34 4.81 -1.83 0.86 114.58 130.94 3afa h GLU 91 Ca -0.28 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.81 3afa h GLU 91 Cb 1.12 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 3afa h GLU 91 CO 0.65 0.02 -0.40 0.93 -0.73 0.00 0.00 179.01 179.47 3afa h GLU 92 N 0.02 0.73 -0.31 1.92 5.08 -1.94 -2.38 114.58 117.70 3afa h GLU 92 Ca 0.39 -0.44 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3afa h GLU 92 Cb 0.64 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3afa h GLU 92 CO -0.77 1.06 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.98 3afa h LEU 93 N 0.46 0.62 -0.84 1.33 3.38 -1.70 -1.49 115.31 117.07 3afa h LEU 93 Ca 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3afa h LEU 93 Cb 1.00 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3afa h LEU 93 CO 0.09 0.86 0.44 -1.13 0.09 0.00 0.00 178.44 178.79 3afa h ASN 94 N 0.53 1.06 -0.08 -0.43 -1.24 -0.68 -0.17 115.58 114.58 3afa h ASN 94 Ca 0.07 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 3afa h ASN 94 Cb 0.72 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 3afa h ASN 94 CO 0.06 0.87 -0.05 0.50 -1.29 0.00 0.00 177.43 177.52 3afa h LYS 95 N 1.17 0.17 -0.87 6.67 3.11 -1.25 0.29 116.57 125.87 3afa h LYS 95 Ca 0.29 -0.08 0.11 0.00 -2.81 0.00 0.00 60.65 58.16 3afa h LYS 95 Cb 0.06 -0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.23 3afa h LYS 95 CO -0.04 0.56 0.56 1.25 -2.81 0.00 0.00 179.45 178.96 3afa h LEU 96 N -0.22 0.73 -3.30 5.20 5.85 -1.02 -1.58 115.31 120.97 3afa h LEU 96 Ca 0.02 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3afa h LEU 96 Cb 0.51 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 3afa h LEU 96 CO 0.01 0.41 -0.03 0.18 -0.34 0.00 0.00 178.44 178.68 3afa n LEU 97 N -4.53 3.95 0.31 2.25 4.77 -0.10 -4.75 117.00 118.91 3afa n LEU 97 Ca 0.15 -3.41 0.18 0.00 -0.03 0.00 0.00 56.01 52.90 3afa n LEU 97 Cb 0.35 -0.59 0.94 0.00 -2.33 0.00 0.00 43.42 41.79 3afa n LEU 97 CO 0.31 0.97 1.15 1.23 -1.33 0.00 0.00 177.39 179.72 3afa h GLY 98 N 1.27 0.00 -1.55 -0.72 0.00 0.65 -0.15 103.07 102.57 3afa h GLY 98 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 3afa h GLY 98 CO 0.31 0.00 -0.25 0.54 0.00 0.00 0.00 176.54 177.14 3afa n ARG 99 N -3.09 1.74 -4.81 4.80 5.12 -1.26 -5.01 116.66 114.15 3afa n ARG 99 Ca -0.01 -3.22 -0.30 0.00 -1.93 0.00 0.00 57.85 52.39 3afa n ARG 99 Cb 0.29 -1.73 -0.14 0.00 -1.16 0.00 0.00 32.46 29.72 3afa n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3afa s VAL 100 N -3.23 2.22 -0.08 1.55 1.01 -0.07 -5.12 120.40 116.67 3afa s VAL 100 Ca 0.42 -1.43 0.04 0.00 0.00 0.00 0.00 61.98 61.01 3afa s VAL 100 Cb 0.39 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3afa s VAL 100 CO -0.03 0.32 -0.22 0.28 0.00 0.00 0.00 175.10 175.46 3afa s THR 101 N -0.85 1.86 -0.36 3.92 -1.32 -1.26 -5.05 115.64 112.57 3afa s THR 101 Ca 0.12 -0.92 -0.15 0.00 -1.21 0.00 0.00 61.69 59.53 3afa s THR 101 Cb -0.10 -1.61 -0.00 0.00 -1.51 0.00 0.00 72.50 69.27 3afa s THR 101 CO 0.03 0.52 0.35 -0.63 -2.21 0.00 0.00 174.62 172.68 3afa s ILE 102 N 0.30 5.18 0.30 5.08 1.01 -1.26 -5.04 121.20 126.76 3afa s ILE 102 Ca -0.15 -0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 3afa s ILE 102 Cb -0.17 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.34 3afa s ILE 102 CO 0.07 -0.16 1.58 0.00 0.00 0.00 0.00 174.94 176.43 3afa s ALA 103 N 1.97 3.73 -1.44 9.38 0.00 -1.26 -2.00 121.76 132.15 3afa s ALA 103 Ca 0.11 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.63 3afa s ALA 103 Cb -0.17 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3afa s ALA 103 CO 0.12 -0.98 0.00 1.04 0.00 0.00 0.00 175.76 175.93 3afa n GLN 104 N 2.03 -1.23 -0.02 0.00 1.13 -1.26 -4.84 117.38 113.18 3afa n GLN 104 Ca 0.07 0.84 0.02 0.00 -1.94 0.00 0.00 57.00 56.00 3afa n GLN 104 Cb 0.38 -5.18 -0.14 0.00 0.11 0.00 0.00 30.24 25.42 3afa n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3afa n GLY 105 N -1.02 -1.08 7.00 1.08 0.00 -0.85 -3.13 105.19 107.20 3afa n GLY 105 Ca -0.18 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3afa n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3afa n GLY 106 N 1.43 0.41 3.38 -0.02 0.00 -1.26 -4.58 105.19 104.54 3afa n GLY 106 Ca -0.14 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 3afa n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3afa s VAL 107 N 0.00 0.68 0.20 1.61 -7.23 -1.26 -5.02 120.40 109.37 3afa s VAL 107 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3afa s VAL 107 Cb 0.00 -2.61 -0.08 0.00 0.56 0.00 0.00 36.38 34.25 3afa s VAL 107 CO 0.00 0.00 1.11 -0.76 -0.31 0.00 0.00 175.10 175.14 3afa s LEU 108 N -3.41 4.50 0.08 1.32 1.43 -1.26 -4.95 118.68 116.39 3afa s LEU 108 Ca 0.35 2.13 -0.31 0.00 -1.03 0.00 0.00 54.13 55.28 3afa s LEU 108 Cb 0.07 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 3afa s LEU 108 CO 0.15 -0.21 1.76 -2.16 0.23 0.00 0.00 176.35 176.12 3afa s PRO 109 N -0.57 4.17 -0.30 1.29 0.04 -1.26 -4.92 135.00 133.45 3afa s PRO 109 Ca 0.49 2.46 -0.04 0.00 0.04 0.00 0.00 61.00 63.94 3afa s PRO 109 Cb -0.30 -3.69 0.18 0.00 0.04 0.00 0.00 34.50 30.73 3afa s PRO 109 CO 0.36 -0.81 0.69 1.21 0.04 0.00 0.00 177.00 178.49 3afa s ASN 110 N 2.84 -1.20 -0.22 6.66 2.47 -1.26 -5.14 114.94 119.09 3afa s ASN 110 Ca 0.78 0.84 -0.03 0.00 0.42 0.00 0.00 52.86 54.88 3afa s ASN 110 Cb -0.42 2.04 -0.00 0.00 -1.45 0.00 0.00 41.25 41.42 3afa s ASN 110 CO 0.35 -0.23 -0.06 -0.63 -3.72 0.00 0.00 177.10 172.81 3afa s ILE 111 N 2.87 3.16 0.25 -5.21 1.01 -1.26 -5.09 121.20 116.93 3afa s ILE 111 Ca 0.15 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 3afa s ILE 111 Cb -0.14 -2.44 -0.13 0.00 0.01 0.00 0.00 42.46 39.76 3afa s ILE 111 CO -0.19 0.41 1.47 0.00 0.00 0.00 0.00 174.94 176.64 3afa n GLN 112 N 4.76 2.24 -0.15 2.79 1.13 -1.26 -4.88 117.38 122.01 3afa n GLN 112 Ca -0.18 0.80 -0.02 0.00 -1.94 0.00 0.00 57.00 55.65 3afa n GLN 112 Cb 0.50 -2.50 0.06 0.00 0.11 0.00 0.00 30.24 28.41 3afa n GLN 112 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3afa h ALA 113 N 4.51 0.49 -0.14 -1.58 0.00 -1.99 -1.63 119.26 118.92 3afa h ALA 113 Ca -0.45 0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3afa h ALA 113 Cb 1.26 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3afa h ALA 113 CO 0.78 -0.37 0.56 0.28 0.00 0.00 0.00 179.25 180.50 3afa h VAL 114 N 0.15 0.06 0.00 0.00 2.07 -2.02 -0.05 116.25 116.46 3afa h VAL 114 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 3afa h VAL 114 Cb 0.36 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3afa h VAL 114 CO -0.38 0.00 -0.49 0.18 0.02 0.00 0.00 177.57 176.90 3afa n LEU 115 N -2.97 0.64 -4.80 2.57 4.77 -0.61 -4.92 117.00 111.68 3afa n LEU 115 Ca 0.02 0.25 -0.33 0.00 -0.03 0.00 0.00 56.01 55.92 3afa n LEU 115 Cb 0.64 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3afa n LEU 115 CO 0.13 -0.04 0.72 -0.76 -1.33 0.00 0.00 177.39 176.12 3afa s LEU 116 N -4.00 3.59 -0.11 2.23 1.43 -0.04 -4.91 118.68 116.88 3afa s LEU 116 Ca 0.08 1.89 -0.39 0.00 -1.03 0.00 0.00 54.13 54.68 3afa s LEU 116 Cb 0.14 -4.55 -0.17 0.00 0.03 0.00 0.00 46.19 41.64 3afa s LEU 116 CO 0.69 -1.12 1.46 -2.65 0.23 0.00 0.00 176.35 174.96 3afa n PRO 117 N -1.74 0.84 0.00 1.29 -0.02 -1.26 -5.10 135.00 129.01 3afa n PRO 117 Ca 0.09 0.31 0.11 0.00 -2.02 0.00 0.00 63.50 61.99 3afa n PRO 117 Cb 0.52 -1.93 0.67 0.00 -0.02 0.00 0.00 33.50 32.75 3afa n PRO 117 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65