#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abd n PHE 11 N 0.00 2.75 -0.11 1.20 3.72 -1.26 -4.84 117.46 118.92 3abd n PHE 11 Ca 0.00 -2.43 -0.06 0.00 -0.05 0.00 0.00 57.45 54.91 3abd n PHE 11 Cb 0.00 -0.73 0.12 0.00 -0.94 0.00 0.00 39.48 37.94 3abd n PHE 11 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3abd h GLY 12 N 2.00 0.88 0.98 1.37 0.00 -1.94 0.35 103.07 106.71 3abd h GLY 12 Ca 0.44 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 3abd h GLY 12 CO 1.00 0.60 0.02 -1.61 0.00 0.00 0.00 176.54 176.55 3abd h GLN 13 N 0.74 0.79 -0.01 4.80 5.75 -1.88 -0.04 115.11 125.26 3abd h GLN 13 Ca 0.13 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 3abd h GLN 13 Cb 0.56 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.03 3abd h GLN 13 CO 0.03 0.84 0.00 0.28 -2.65 0.00 0.00 178.83 177.33 3abd h VAL 14 N 0.64 1.09 -0.32 2.39 2.07 -1.83 -0.97 116.25 119.31 3abd h VAL 14 Ca 0.13 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3abd h VAL 14 Cb 0.46 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3abd h VAL 14 CO 0.02 0.07 0.16 0.58 0.02 0.00 0.00 177.57 178.42 3abd h VAL 15 N -0.10 1.15 -0.72 2.57 2.07 -0.85 -0.14 116.25 120.23 3abd h VAL 15 Ca 0.00 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3abd h VAL 15 Cb 0.11 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3abd h VAL 15 CO -0.00 0.15 0.43 0.00 0.02 0.00 0.00 177.57 178.18 3abd h ALA 16 N 1.02 0.96 -0.42 1.67 0.00 -0.93 0.19 119.26 121.75 3abd h ALA 16 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3abd h ALA 16 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3abd h ALA 16 CO -0.02 0.17 0.12 -0.44 0.00 0.00 0.00 179.25 179.08 3abd h ASP 17 N 0.82 0.62 -0.20 0.00 3.32 -0.83 -0.65 116.42 119.49 3abd h ASP 17 Ca 0.30 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3abd h ASP 17 Cb 0.10 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3abd h ASP 17 CO -0.14 0.67 -0.02 0.58 -1.72 0.00 0.00 179.24 178.61 3abd h VAL 18 N 0.53 1.27 -0.50 -1.35 2.07 -0.68 -2.14 116.25 115.45 3abd h VAL 18 Ca 0.13 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 3abd h VAL 18 Cb 0.28 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3abd h VAL 18 CO -0.00 0.28 -0.05 -0.07 0.02 0.00 0.00 177.57 177.75 3abd h LEU 19 N 0.12 0.86 -0.95 2.57 3.38 -0.61 -1.35 115.31 119.32 3abd h LEU 19 Ca 0.06 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3abd h LEU 19 Cb 0.43 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3abd h LEU 19 CO 0.01 0.96 -0.18 0.00 0.09 0.00 0.00 178.44 179.32 3abd h GLU 21 N 0.50 0.50 -0.24 0.00 4.81 -1.18 -2.07 114.58 116.91 3abd h GLU 21 Ca 0.08 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3abd h GLU 21 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3abd h GLU 21 CO 0.04 0.77 0.12 0.35 -0.73 0.00 0.00 179.01 179.56 3abd h PHE 22 N 0.21 0.33 -0.10 0.92 3.57 -1.07 -2.89 116.94 117.92 3abd h PHE 22 Ca 0.05 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3abd h PHE 22 Cb 0.63 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3abd h PHE 22 CO 0.06 0.31 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.13 3abd h LEU 23 N 0.26 0.18 0.27 0.59 3.38 -0.62 0.61 115.31 119.97 3abd h LEU 23 Ca 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3abd h LEU 23 Cb 0.10 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3abd h LEU 23 CO -0.01 0.44 -0.16 -0.08 0.09 0.00 0.00 178.44 178.72 3abd h GLU 24 N 0.17 -0.40 -0.47 1.13 4.81 -1.22 0.80 114.58 119.40 3abd h GLU 24 Ca 0.03 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3abd h GLU 24 Cb 0.55 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3abd h GLU 24 CO 0.04 -0.27 0.28 0.28 -0.73 0.00 0.00 179.01 178.61 3abd h VAL 25 N -0.42 1.15 -0.53 0.32 2.07 -1.27 -2.11 116.25 115.46 3abd h VAL 25 Ca -0.03 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3abd h VAL 25 Cb 0.34 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3abd h VAL 25 CO 0.03 0.15 0.30 0.00 0.02 0.00 0.00 177.57 178.07 3abd h ALA 26 N 1.13 0.67 -0.04 1.67 0.00 -0.78 -0.18 119.26 121.73 3abd h ALA 26 Ca 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3abd h ALA 26 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3abd h ALA 26 CO -0.03 0.18 -0.01 0.28 0.00 0.00 0.00 179.25 179.67 3abd h VAL 27 N 0.70 0.95 -0.41 0.00 2.07 -0.69 0.92 116.25 119.78 3abd h VAL 27 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 3abd h VAL 27 Cb 0.03 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3abd h VAL 27 CO -0.03 0.00 0.03 0.45 0.02 0.00 0.00 177.57 178.04 3abd h HIS 28 N -0.01 0.03 -0.54 1.57 3.86 -1.15 -0.29 115.15 118.62 3abd h HIS 28 Ca 0.02 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 3abd h HIS 28 Cb 0.04 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3abd h HIS 28 CO -0.11 -0.05 0.04 1.25 0.86 0.00 0.00 177.93 179.91 3abd h LEU 29 N 0.14 0.85 -0.46 2.43 5.85 -0.70 -2.29 115.31 121.14 3abd h LEU 29 Ca 0.20 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3abd h LEU 29 Cb 0.28 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3abd h LEU 29 CO -0.31 0.89 0.10 0.40 -0.34 0.00 0.00 178.44 179.18 3abd h ILE 30 N 0.83 1.24 -1.00 4.05 2.04 -0.39 0.67 117.51 124.94 3abd h ILE 30 Ca 0.16 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.20 3abd h ILE 30 Cb 0.44 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3abd h ILE 30 CO 0.02 0.30 0.66 -0.07 0.00 0.00 0.00 178.15 179.06 3abd h LEU 31 N 0.61 1.12 0.79 1.44 3.38 -0.82 -1.03 115.31 120.80 3abd h LEU 31 Ca 0.14 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3abd h LEU 31 Cb 0.34 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.83 3abd h LEU 31 CO 0.00 0.79 -0.38 0.22 0.09 0.00 0.00 178.44 179.16 3abd h TYR 32 N 1.31 -0.98 0.00 1.13 3.20 -1.23 -0.96 116.97 119.44 3abd h TYR 32 Ca 0.38 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.21 3abd h TYR 32 Cb -0.07 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 3abd h TYR 32 CO -0.00 -0.60 -0.08 -0.39 -1.64 0.00 0.00 178.16 175.45 3abd h VAL 33 N -1.24 0.20 -0.62 1.81 -1.51 -0.75 -1.34 116.25 112.80 3abd h VAL 33 Ca -0.11 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 3abd h VAL 33 Cb 0.83 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 3abd h VAL 33 CO 0.18 0.08 0.00 0.54 -1.23 0.00 0.00 177.57 177.13 3abd n ARG 34 N -3.21 2.47 -4.20 5.19 5.12 -0.40 -4.87 116.66 116.76 3abd n ARG 34 Ca 0.00 -2.27 -0.39 0.00 -1.93 0.00 0.00 57.85 53.26 3abd n ARG 34 Cb 0.35 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.12 3abd n ARG 34 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 3abd n GLU 35 N 1.36 -0.59 0.10 5.56 2.13 -0.51 -4.76 120.64 123.93 3abd n GLU 35 Ca 0.21 0.08 -0.03 0.00 0.66 0.00 0.00 57.16 58.07 3abd n GLU 35 Cb 0.54 -3.03 0.01 0.00 0.27 0.00 0.00 31.44 29.23 3abd n GLU 35 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3abd h VAL 36 N -2.24 1.47 -3.56 6.31 2.07 -1.42 -3.46 116.25 115.42 3abd h VAL 36 Ca -0.69 -2.78 -0.38 0.00 0.82 0.00 0.00 66.70 63.67 3abd h VAL 36 Cb 1.40 2.54 -0.18 0.00 -1.52 0.00 0.00 31.29 33.54 3abd h VAL 36 CO 0.61 0.77 -0.75 -0.31 0.02 0.00 0.00 177.57 177.92 3abd s TYR 37 N -3.05 1.32 0.37 1.57 2.02 -1.25 -4.85 117.35 113.49 3abd s TYR 37 Ca 0.01 -0.60 -0.28 0.00 -0.37 0.00 0.00 57.07 55.82 3abd s TYR 37 Cb 0.10 -0.69 -0.11 0.00 -0.40 0.00 0.00 41.96 40.86 3abd s TYR 37 CO 0.78 0.11 1.48 -2.30 -1.57 0.00 0.00 175.55 174.06 3abd n PRO 38 N 0.41 2.65 0.25 -1.71 -0.02 -1.26 -4.83 135.00 130.49 3abd n PRO 38 Ca -0.15 0.93 0.08 0.00 -2.02 0.00 0.00 63.50 62.34 3abd n PRO 38 Cb 0.58 -2.65 0.63 0.00 -0.02 0.00 0.00 33.50 32.03 3abd n PRO 38 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3abd h VAL 39 N 2.95 1.01 -0.44 -1.45 -1.51 -1.97 -2.75 116.25 112.09 3abd h VAL 39 Ca -0.50 -0.04 0.13 0.00 -1.23 0.00 0.00 66.70 65.05 3abd h VAL 39 Cb 1.24 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 31.40 3abd h VAL 39 CO 0.65 0.01 0.46 1.23 -1.23 0.00 0.00 177.57 178.69 3abd h GLY 40 N 0.04 0.00 0.72 5.19 0.00 -2.04 -2.21 103.07 104.78 3abd h GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3abd h GLY 40 CO 0.00 0.00 -0.32 0.29 0.00 0.00 0.00 176.54 176.52 3abd n ILE 41 N -3.75 0.00 -3.70 2.60 -5.35 -1.04 -4.85 119.36 103.27 3abd n ILE 41 Ca 0.08 -0.06 -0.36 0.00 -0.27 0.00 0.00 62.75 62.13 3abd n ILE 41 Cb 0.64 0.22 -0.06 0.00 -1.74 0.00 0.00 39.64 38.71 3abd n ILE 41 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3abd s PHE 42 N -2.72 3.63 -0.05 4.28 0.08 -0.83 0.44 117.98 122.81 3abd s PHE 42 Ca 0.19 0.71 0.04 0.00 0.12 0.00 0.00 56.93 57.99 3abd s PHE 42 Cb 0.19 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 3abd s PHE 42 CO 0.58 0.65 -0.15 -1.14 -0.10 0.00 0.00 175.22 175.06 3abd s GLN 43 N -1.37 1.66 0.14 0.44 0.74 0.27 -4.91 119.66 116.62 3abd s GLN 43 Ca 0.23 -0.53 -0.31 0.00 0.05 0.00 0.00 55.36 54.80 3abd s GLN 43 Cb -0.14 -1.43 -0.11 0.00 1.10 0.00 0.00 33.01 32.44 3abd s GLN 43 CO 0.12 0.18 1.77 0.21 -0.55 0.00 0.00 175.29 177.02 3abd s LYS 44 N 0.18 4.14 0.28 1.67 2.20 -1.26 -0.92 119.74 126.03 3abd s LYS 44 Ca -0.06 2.56 0.04 0.00 -0.36 0.00 0.00 55.97 58.15 3abd s LYS 44 Cb -0.12 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 3abd s LYS 44 CO 0.02 -0.80 0.23 1.03 -0.36 0.00 0.00 175.35 175.48 3abd s ARG 45 N 2.26 1.56 -0.12 4.03 0.52 0.03 -4.91 118.95 122.31 3abd s ARG 45 Ca 0.78 -1.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.16 3abd s ARG 45 Cb -0.46 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.32 3abd s ARG 45 CO 0.35 -0.56 -0.22 0.21 0.02 0.00 0.00 175.30 175.10 3abd s LYS 46 N -3.70 3.08 0.00 3.54 2.20 -1.26 -0.29 119.74 123.31 3abd s LYS 46 Ca 0.40 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 3abd s LYS 46 Cb 0.04 -2.41 -0.00 0.00 -1.51 0.00 0.00 37.83 33.94 3abd s LYS 46 CO 0.21 0.08 -0.01 0.15 -0.36 0.00 0.00 175.35 175.43 3abd s LYS 47 N 0.59 0.06 -1.58 4.03 -0.14 -0.49 -4.82 119.74 117.39 3abd s LYS 47 Ca -0.12 -0.07 -0.01 0.00 -1.36 0.00 0.00 55.97 54.41 3abd s LYS 47 Cb -0.17 -0.02 0.00 0.00 -1.68 0.00 0.00 37.83 35.97 3abd s LYS 47 CO 0.03 0.00 0.11 0.66 -0.76 0.00 0.00 175.35 175.39 3abd n TYR 48 N 2.93 -1.27 -1.47 3.18 4.01 -1.26 -1.13 117.16 122.15 3abd n TYR 48 Ca -0.13 0.10 -0.16 0.00 -0.16 0.00 0.00 57.90 57.54 3abd n TYR 48 Cb 0.59 -3.76 -0.07 0.00 -0.31 0.00 0.00 39.34 35.79 3abd n TYR 48 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3abd n ASN 49 N -2.06 -5.40 -4.25 7.72 5.15 -1.26 -4.73 115.26 110.42 3abd n ASN 49 Ca -0.20 0.40 -0.16 0.00 -0.60 0.00 0.00 54.58 54.03 3abd n ASN 49 Cb 0.66 -4.34 -0.10 0.00 -0.53 0.00 0.00 39.78 35.46 3abd n ASN 49 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3abd s VAL 50 N -2.46 1.26 0.20 3.44 -7.23 -0.29 -5.12 120.40 110.20 3abd s VAL 50 Ca 0.00 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 3abd s VAL 50 Cb 0.00 -1.73 -0.08 0.00 0.56 0.00 0.00 36.38 35.12 3abd s VAL 50 CO 0.00 -0.62 1.24 -2.16 -0.31 0.00 0.00 175.10 173.25 3abd s PRO 51 N -3.33 4.45 0.42 4.82 0.04 -1.26 -1.40 135.00 138.74 3abd s PRO 51 Ca 0.14 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.17 3abd s PRO 51 Cb -0.01 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 3abd s PRO 51 CO 0.02 -0.14 0.14 0.14 0.04 0.00 0.00 177.00 177.20 3abd s VAL 52 N -0.08 0.54 -0.08 -0.36 -7.23 0.60 -4.90 120.40 108.90 3abd s VAL 52 Ca 0.54 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 3abd s VAL 52 Cb -0.34 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.30 3abd s VAL 52 CO 0.38 0.00 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.96 3abd s GLN 53 N -3.68 1.66 0.04 4.82 -1.52 -1.26 -0.79 119.66 118.93 3abd s GLN 53 Ca 0.23 -0.36 0.08 0.00 -1.95 0.00 0.00 55.36 53.35 3abd s GLN 53 Cb 0.02 -1.49 -0.03 0.00 -0.22 0.00 0.00 33.01 31.30 3abd s GLN 53 CO 0.15 -0.08 -0.23 -1.64 -0.25 0.00 0.00 175.29 173.24 3abd s MET 54 N 1.03 1.60 0.32 2.91 -1.94 -0.10 -3.78 119.30 119.34 3abd s MET 54 Ca -0.08 -1.01 -0.29 0.00 -1.71 0.00 0.00 55.69 52.61 3abd s MET 54 Cb -0.15 -1.73 -0.10 0.00 2.01 0.00 0.00 34.83 34.86 3abd s MET 54 CO -0.01 0.45 1.25 0.45 -0.01 0.00 0.00 175.02 177.15 3abd s SER 55 N -1.17 6.90 0.00 3.03 0.15 -1.26 -0.57 113.70 120.79 3abd s SER 55 Ca 0.09 2.58 0.20 0.00 0.70 0.00 0.00 55.95 59.52 3abd s SER 55 Cb -0.09 -2.64 0.40 0.00 -1.71 0.00 0.00 66.02 61.97 3abd s SER 55 CO 0.02 -0.43 1.34 0.00 1.20 0.00 0.00 173.24 175.37 3abd s HIS 57 N -1.30 3.40 0.21 0.00 5.04 -1.26 -4.94 115.29 116.44 3abd s HIS 57 Ca 0.35 1.11 0.12 0.00 -1.54 0.00 0.00 55.06 55.11 3abd s HIS 57 Cb 0.20 -2.92 0.35 0.00 0.04 0.00 0.00 32.58 30.24 3abd s HIS 57 CO 0.28 -0.21 1.59 -1.35 -2.34 0.00 0.00 174.74 172.71 3abd h PRO 58 N 7.40 0.00 -0.05 2.88 0.11 -1.99 -1.74 132.00 138.61 3abd h PRO 58 Ca -0.30 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3abd h PRO 58 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3abd h PRO 58 CO 0.81 0.61 -0.18 1.49 -0.21 0.00 0.00 178.00 180.52 3abd h GLU 59 N 0.00 0.21 -0.55 1.05 4.81 -1.99 -0.09 114.58 118.02 3abd h GLU 59 Ca -0.01 -0.16 0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3abd h GLU 59 Cb 1.15 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.47 3abd h GLU 59 CO 0.08 0.79 0.07 1.25 -0.73 0.00 0.00 179.01 180.47 3abd h LEU 60 N -0.33 -0.10 -0.85 1.64 5.85 -1.97 -0.79 115.31 118.76 3abd h LEU 60 Ca -0.01 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3abd h LEU 60 Cb 0.82 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3abd h LEU 60 CO 0.04 -0.03 -0.11 0.78 -0.34 0.00 0.00 178.44 178.78 3abd h ASN 61 N 0.19 0.72 -0.65 1.25 2.35 -1.14 -1.95 115.58 116.35 3abd h ASN 61 Ca 0.29 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3abd h ASN 61 Cb 0.43 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 3abd h ASN 61 CO -0.41 0.86 0.23 -0.61 -1.65 0.00 0.00 177.43 175.85 3abd h GLN 62 N 0.67 1.02 -0.44 0.81 5.75 -0.51 -0.77 115.11 121.65 3abd h GLN 62 Ca 0.11 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3abd h GLN 62 Cb 0.57 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3abd h GLN 62 CO 0.04 0.86 0.21 -0.92 -2.65 0.00 0.00 178.83 176.37 3abd h TYR 63 N 0.99 0.63 -0.17 3.99 3.20 -0.58 0.87 116.97 125.90 3abd h TYR 63 Ca 0.22 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 3abd h TYR 63 Cb 0.25 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3abd h TYR 63 CO 0.02 0.51 -0.03 0.82 -1.64 0.00 0.00 178.16 177.84 3abd h ILE 64 N 0.56 1.28 -0.46 1.81 2.04 -1.21 -1.53 117.51 120.01 3abd h ILE 64 Ca 0.15 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.10 3abd h ILE 64 Cb 0.12 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3abd h ILE 64 CO -0.02 0.29 0.15 -0.61 0.00 0.00 0.00 178.15 177.96 3abd h GLN 65 N 0.04 0.31 -0.63 2.37 4.15 -1.04 -1.68 115.11 118.63 3abd h GLN 65 Ca 0.04 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 3abd h GLN 65 Cb 0.46 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 3abd h GLN 65 CO 0.02 0.20 0.33 -0.44 -1.93 0.00 0.00 178.83 177.01 3abd h ASP 66 N 0.32 0.80 -0.41 -0.69 3.32 -0.63 0.20 116.42 119.33 3abd h ASP 66 Ca 0.22 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.18 3abd h ASP 66 Cb 0.23 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3abd h ASP 66 CO -0.23 0.68 0.25 0.74 -1.72 0.00 0.00 179.24 178.96 3abd h THR 67 N 0.86 1.07 -0.07 0.35 2.02 -0.95 -2.17 112.91 114.01 3abd h THR 67 Ca 0.22 -0.18 -0.20 0.00 0.77 0.00 0.00 66.41 67.02 3abd h THR 67 Cb 0.07 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3abd h THR 67 CO -0.03 0.09 -0.79 -0.07 0.37 0.00 0.00 175.52 175.09 3abd h LEU 68 N 0.52 0.58 -0.91 2.58 3.38 -0.61 -1.90 115.31 118.95 3abd h LEU 68 Ca 0.16 -0.40 0.17 0.00 0.09 0.00 0.00 57.88 57.90 3abd h LEU 68 Cb -0.02 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.46 3abd h LEU 68 CO -0.06 1.16 0.49 0.45 0.09 0.00 0.00 178.44 180.57 3abd h HIS 69 N 0.31 0.85 -0.19 1.13 3.86 -0.52 -1.58 115.15 119.01 3abd h HIS 69 Ca -0.05 0.04 -0.18 0.00 -1.16 0.00 0.00 60.37 59.02 3abd h HIS 69 Cb 1.39 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 3abd h HIS 69 CO 0.06 0.16 -0.60 0.00 0.86 0.00 0.00 177.93 178.41 3abd h VAL 71 N 0.46 0.92 -0.48 0.00 2.07 -0.75 -3.35 116.25 115.12 3abd h VAL 71 Ca -0.00 -1.36 0.06 0.00 0.82 0.00 0.00 66.70 66.22 3abd h VAL 71 Cb 1.17 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.69 3abd h VAL 71 CO 0.12 0.34 0.17 0.50 0.02 0.00 0.00 177.57 178.71 3abd h LYS 72 N 0.00 0.33 0.00 1.57 3.64 -1.33 -0.49 116.57 120.29 3abd h LYS 72 Ca -0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3abd h LYS 72 Cb 0.78 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3abd h LYS 72 CO 0.05 0.22 -0.31 -1.00 -2.27 0.00 0.00 179.45 176.14 3abd h PRO 73 N 0.34 0.00 -0.25 1.90 0.13 -1.76 0.05 132.00 132.41 3abd h PRO 73 Ca 0.23 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.22 3abd h PRO 73 Cb 0.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 3abd h PRO 73 CO -0.24 0.31 -0.43 -0.07 -0.23 0.00 0.00 178.00 177.34 3abd h LEU 74 N 0.00 0.67 -0.64 1.56 3.38 -1.54 -2.55 115.31 116.19 3abd h LEU 74 Ca -0.00 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3abd h LEU 74 Cb 0.73 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3abd h LEU 74 CO 0.04 1.01 -0.25 -0.07 0.09 0.00 0.00 178.44 179.26 3abd h LEU 75 N 0.51 0.81 -1.12 1.67 3.38 -0.23 0.88 115.31 121.21 3abd h LEU 75 Ca 0.04 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3abd h LEU 75 Cb 0.95 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3abd h LEU 75 CO 0.09 1.03 -0.26 -0.08 0.09 0.00 0.00 178.44 179.30 3abd h GLU 76 N 0.69 0.29 -0.06 1.13 4.22 -0.83 -1.17 114.58 118.85 3abd h GLU 76 Ca 0.09 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3abd h GLU 76 Cb 0.78 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3abd h GLU 76 CO 0.06 0.54 0.00 1.63 -2.18 0.00 0.00 179.01 179.07 3abd n LYS 77 N -4.14 1.21 -3.80 1.92 5.02 -0.98 -4.62 118.16 112.77 3abd n LYS 77 Ca -0.01 -0.32 -0.27 0.00 -2.02 0.00 0.00 58.31 55.69 3abd n LYS 77 Cb 0.38 -1.26 0.04 0.00 -0.02 0.00 0.00 35.03 34.17 3abd n LYS 77 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3abd n ASN 78 N -0.41 -4.36 -0.98 4.39 5.15 -0.44 -4.91 115.26 113.71 3abd n ASN 78 Ca 0.12 -0.74 0.10 0.00 -0.60 0.00 0.00 54.58 53.46 3abd n ASN 78 Cb 0.12 -4.17 0.17 0.00 -0.53 0.00 0.00 39.78 35.37 3abd n ASN 78 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3abd n ASP 79 N -2.92 3.14 -4.40 1.20 8.00 0.28 -4.88 116.55 116.96 3abd n ASP 79 Ca -0.04 -1.92 -0.35 0.00 0.71 0.00 0.00 54.79 53.19 3abd n ASP 79 Cb 0.56 -0.18 -0.13 0.00 -0.02 0.00 0.00 41.12 41.36 3abd n ASP 79 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3abd s VAL 80 N -1.43 3.87 -0.09 2.53 1.01 -1.26 -0.29 120.40 124.75 3abd s VAL 80 Ca 0.32 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 3abd s VAL 80 Cb 0.19 -2.77 -0.28 0.00 0.00 0.00 0.00 36.38 33.52 3abd s VAL 80 CO 0.27 0.40 0.60 -0.08 0.00 0.00 0.00 175.10 176.30 3abd h GLU 81 N 7.92 0.29 -3.28 2.72 4.81 -1.07 -3.43 114.58 122.53 3abd h GLU 81 Ca -0.38 -0.49 -0.14 0.00 -0.13 0.00 0.00 59.36 58.21 3abd h GLU 81 Cb 1.17 0.18 -0.22 0.00 0.63 0.00 0.00 28.75 30.52 3abd h GLU 81 CO 0.60 1.24 -0.41 0.15 -0.73 0.00 0.00 179.01 179.85 3abd s LYS 82 N -2.50 0.48 -0.11 1.92 1.02 -1.14 -1.71 119.74 117.71 3abd s LYS 82 Ca -0.19 -0.15 0.03 0.00 0.02 0.00 0.00 55.97 55.69 3abd s LYS 82 Cb 0.04 0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.57 3abd s LYS 82 CO 0.79 -0.11 -0.21 0.08 -0.92 0.00 0.00 175.35 174.98 3abd s VAL 83 N -0.97 1.87 -0.12 3.17 1.01 -0.31 -0.86 120.40 124.19 3abd s VAL 83 Ca -0.11 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.00 3abd s VAL 83 Cb -0.05 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.70 3abd s VAL 83 CO 0.02 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.81 3abd s VAL 84 N 0.64 1.45 -0.38 2.92 1.01 0.11 -0.94 120.40 125.21 3abd s VAL 84 Ca -0.13 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3abd s VAL 84 Cb -0.16 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3abd s VAL 84 CO 0.03 0.43 0.59 -0.69 0.00 0.00 0.00 175.10 175.47 3abd s VAL 85 N 1.19 4.92 -0.21 2.92 1.01 -0.42 -0.40 120.40 129.41 3abd s VAL 85 Ca -0.02 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 3abd s VAL 85 Cb -0.14 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3abd s VAL 85 CO -0.05 -0.38 0.08 -0.69 0.00 0.00 0.00 175.10 174.06 3abd s VAL 86 N 2.63 4.70 -0.20 2.92 1.01 -0.07 -0.74 120.40 130.66 3abd s VAL 86 Ca 0.22 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 3abd s VAL 86 Cb -0.15 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3abd s VAL 86 CO 0.16 0.40 0.20 -0.63 0.00 0.00 0.00 175.10 175.23 3abd s ILE 87 N 0.88 5.35 0.01 2.22 1.01 -0.18 -1.24 121.20 129.25 3abd s ILE 87 Ca 0.04 0.32 0.07 0.00 0.00 0.00 0.00 60.65 61.09 3abd s ILE 87 Cb -0.14 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 3abd s ILE 87 CO 0.03 0.39 -0.22 -0.76 0.00 0.00 0.00 174.94 174.37 3abd s LEU 88 N 0.64 2.34 0.00 2.97 1.43 0.14 -0.64 118.68 125.57 3abd s LEU 88 Ca 0.11 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 3abd s LEU 88 Cb -0.12 -1.41 0.18 0.00 0.03 0.00 0.00 46.19 44.87 3abd s LEU 88 CO 0.02 0.29 1.07 -0.90 0.23 0.00 0.00 176.35 177.06 3abd n ASP 89 N 1.99 0.23 0.27 2.29 5.68 -0.20 -0.61 116.55 126.21 3abd n ASP 89 Ca -0.16 -1.48 0.18 0.00 -0.50 0.00 0.00 54.79 52.83 3abd n ASP 89 Cb 0.52 -0.80 0.84 0.00 -1.14 0.00 0.00 41.12 40.53 3abd n ASP 89 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3abd h LYS 90 N 0.00 0.00 -0.32 0.11 2.10 -1.79 0.16 116.57 116.82 3abd h LYS 90 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 3abd h LYS 90 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 3abd h LYS 90 CO 0.26 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.10 3abd n GLU 91 N -2.89 1.97 -1.61 0.07 4.71 -1.26 -4.89 120.64 116.73 3abd n GLU 91 Ca -0.01 -1.48 -0.09 0.00 -0.01 0.00 0.00 57.16 55.58 3abd n GLU 91 Cb 0.19 -1.38 -0.02 0.00 -1.01 0.00 0.00 31.44 29.21 3abd n GLU 91 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3abd n HIS 92 N 0.69 -0.16 -3.29 -0.32 8.25 0.56 -5.02 115.22 115.93 3abd n HIS 92 Ca 0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.24 3abd n HIS 92 Cb 0.39 -1.92 -0.06 0.00 1.12 0.00 0.00 29.99 29.52 3abd n HIS 92 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3abd s ARG 93 N -3.40 4.29 0.13 -0.41 0.52 -1.26 -4.78 118.95 114.04 3abd s ARG 93 Ca 0.00 0.54 -0.31 0.00 -0.52 0.00 0.00 55.73 55.44 3abd s ARG 93 Cb 0.00 -3.39 -0.10 0.00 0.52 0.00 0.00 34.95 31.98 3abd s ARG 93 CO 0.00 0.27 1.79 -2.14 0.02 0.00 0.00 175.30 175.24 3abd s PRO 94 N 0.23 4.14 -0.12 3.54 0.02 -1.26 -1.03 135.00 140.53 3abd s PRO 94 Ca 0.28 2.56 0.12 0.00 0.02 0.00 0.00 61.00 63.98 3abd s PRO 94 Cb -0.16 -3.51 -0.17 0.00 0.02 0.00 0.00 34.50 30.68 3abd s PRO 94 CO 0.13 -0.81 0.07 1.33 -0.33 0.00 0.00 177.00 177.39 3abd n VAL 95 N 4.61 0.80 -3.86 3.83 0.24 0.19 -4.83 118.33 119.32 3abd n VAL 95 Ca 0.17 -0.53 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 3abd n VAL 95 Cb 0.38 -0.57 -0.10 0.00 -1.47 0.00 0.00 33.84 32.08 3abd n VAL 95 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3abd s GLU 96 N -2.38 0.50 -0.07 7.34 2.02 -1.18 -1.03 118.70 123.89 3abd s GLU 96 Ca -0.06 -0.37 -0.01 0.00 0.02 0.00 0.00 54.97 54.55 3abd s GLU 96 Cb 0.04 0.21 0.03 0.00 0.10 0.00 0.00 34.13 34.51 3abd s GLU 96 CO 0.54 -0.12 -0.02 0.15 0.02 0.00 0.00 175.26 175.82 3abd s LYS 97 N -1.36 0.82 -0.46 1.61 1.02 0.76 -1.01 119.74 121.12 3abd s LYS 97 Ca -0.14 0.00 -0.16 0.00 0.02 0.00 0.00 55.97 55.68 3abd s LYS 97 Cb -0.07 -1.05 0.06 0.00 -0.52 0.00 0.00 37.83 36.24 3abd s LYS 97 CO 0.02 -0.25 0.43 -0.06 -0.92 0.00 0.00 175.35 174.57 3abd s PHE 98 N 1.71 3.20 -0.25 3.18 0.40 0.08 -0.20 117.98 126.10 3abd s PHE 98 Ca 0.02 -0.74 -0.08 0.00 -0.60 0.00 0.00 56.93 55.53 3abd s PHE 98 Cb -0.13 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 3abd s PHE 98 CO -0.05 -0.80 0.10 0.08 0.70 0.00 0.00 175.22 175.25 3abd s VAL 99 N 1.90 4.66 -0.38 -0.44 1.01 0.54 -1.29 120.40 126.41 3abd s VAL 99 Ca 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 3abd s VAL 99 Cb -0.22 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.05 3abd s VAL 99 CO 0.09 0.33 0.16 -0.36 0.00 0.00 0.00 175.10 175.32 3abd s PHE 100 N 1.49 3.37 -0.15 5.22 0.40 -0.12 -1.90 117.98 126.30 3abd s PHE 100 Ca 0.06 -1.80 -0.16 0.00 -0.60 0.00 0.00 56.93 54.43 3abd s PHE 100 Cb -0.15 -2.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.61 3abd s PHE 100 CO 0.05 -0.85 0.39 -1.21 0.70 0.00 0.00 175.22 174.31 3abd s GLU 101 N 1.31 4.28 -0.05 0.44 2.02 0.22 -1.16 118.70 125.76 3abd s GLU 101 Ca 0.02 0.27 0.04 0.00 0.02 0.00 0.00 54.97 55.31 3abd s GLU 101 Cb -0.22 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.57 3abd s GLU 101 CO -0.00 0.16 -0.16 0.42 0.02 0.00 0.00 175.26 175.70 3abd s ILE 102 N 0.68 1.33 -0.03 -1.63 1.01 -0.69 -1.45 121.20 120.42 3abd s ILE 102 Ca 0.21 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3abd s ILE 102 Cb -0.14 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.18 3abd s ILE 102 CO 0.07 0.39 -0.08 -0.89 0.00 0.00 0.00 174.94 174.43 3abd s THR 103 N 0.19 0.75 -0.44 2.92 2.01 0.05 -4.57 115.64 116.55 3abd s THR 103 Ca -0.07 -0.33 -0.00 0.00 0.31 0.00 0.00 61.69 61.60 3abd s THR 103 Cb -0.12 -0.67 0.12 0.00 0.01 0.00 0.00 72.50 71.83 3abd s THR 103 CO 0.03 0.24 0.22 -1.10 -0.69 0.00 0.00 174.62 173.31 3abd s GLN 104 N 0.28 1.97 0.47 4.92 -0.21 -1.26 -0.59 119.66 125.24 3abd s GLN 104 Ca -0.04 -2.07 -0.21 0.00 0.02 0.00 0.00 55.36 53.06 3abd s GLN 104 Cb -0.09 -3.48 -0.09 0.00 1.00 0.00 0.00 33.01 30.35 3abd s GLN 104 CO 0.01 -1.06 1.02 -1.25 -2.12 0.00 0.00 175.29 171.89 3abd s PRO 105 N 0.68 3.89 -0.06 2.91 0.04 -1.26 -4.93 135.00 136.28 3abd s PRO 105 Ca 0.12 1.33 -0.38 0.00 0.04 0.00 0.00 61.00 62.10 3abd s PRO 105 Cb -0.22 -2.14 -0.17 0.00 0.04 0.00 0.00 34.50 32.02 3abd s PRO 105 CO -0.05 -0.35 1.46 -2.30 0.04 0.00 0.00 177.00 175.81 3abd n PRO 106 N -0.85 1.02 -2.50 0.56 -0.02 -1.26 -4.79 135.00 127.15 3abd n PRO 106 Ca 0.09 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 3abd n PRO 106 Cb 0.53 -2.01 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 3abd n PRO 106 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3abd s LEU 107 N 1.52 3.67 -0.10 2.45 2.96 -1.26 -4.82 118.68 123.09 3abd s LEU 107 Ca 0.90 0.71 0.12 0.00 -0.22 0.00 0.00 54.13 55.64 3abd s LEU 107 Cb -1.04 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 41.94 3abd s LEU 107 CO 0.55 -1.26 0.09 0.18 -1.32 0.00 0.00 176.35 174.59 3abd n LEU 108 N 8.06 0.00 -3.81 -0.68 4.77 -1.26 -5.00 117.00 119.07 3abd n LEU 108 Ca 0.14 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 3abd n LEU 108 Cb 0.48 0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.71 3abd n LEU 108 CO 0.69 0.25 -0.15 -0.55 -1.33 0.00 0.00 177.39 176.30 3abd s SER 109 N -4.36 -0.17 -0.28 -1.43 0.15 -1.26 -5.14 113.70 101.21 3abd s SER 109 Ca -0.06 0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.79 3abd s SER 109 Cb 0.05 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 3abd s SER 109 CO 0.52 -0.12 0.14 -0.63 1.20 0.00 0.00 173.24 174.36 3abd s ILE 110 N -0.13 4.77 0.59 6.45 -1.09 -1.26 -4.99 121.20 125.54 3abd s ILE 110 Ca -0.02 -0.11 -0.08 0.00 -2.23 0.00 0.00 60.65 58.21 3abd s ILE 110 Cb -0.02 -3.30 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 3abd s ILE 110 CO 0.01 0.23 0.95 -0.94 -1.23 0.00 0.00 174.94 173.96 3abd s SER 111 N 1.67 5.94 0.34 3.58 1.04 -1.26 -4.95 113.70 120.06 3abd s SER 111 Ca 0.06 1.08 0.26 0.00 0.48 0.00 0.00 55.95 57.83 3abd s SER 111 Cb -0.16 -2.14 0.90 0.00 0.10 0.00 0.00 66.02 64.73 3abd s SER 111 CO 0.07 -0.93 1.77 0.77 0.98 0.00 0.00 173.24 175.91 3abd h SER 112 N -0.21 0.00 -4.35 7.02 4.64 -2.07 -3.46 113.55 115.12 3abd h SER 112 Ca -0.45 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.36 3abd h SER 112 Cb 1.22 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.40 3abd h SER 112 CO 0.62 0.00 0.38 -1.81 -0.87 0.00 0.00 176.83 175.15 3abd s ASP 113 N -4.98 5.43 -0.60 4.97 1.11 -1.26 -4.95 116.67 116.40 3abd s ASP 113 Ca 0.06 1.43 -0.27 0.00 0.18 0.00 0.00 52.55 53.95 3abd s ASP 113 Cb 0.09 -2.31 0.00 0.00 1.07 0.00 0.00 42.92 41.78 3abd s ASP 113 CO 0.53 -1.38 1.54 -0.55 1.18 0.00 0.00 175.17 176.49 3abd s SER 114 N -4.00 5.87 0.20 0.27 0.15 -1.26 -4.85 113.70 110.08 3abd s SER 114 Ca 0.58 0.22 -0.11 0.00 0.70 0.00 0.00 55.95 57.34 3abd s SER 114 Cb -0.13 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.78 3abd s SER 114 CO 0.54 -1.93 1.85 0.25 1.20 0.00 0.00 173.24 175.15 3abd h LEU 115 N 14.10 0.84 -0.59 3.45 5.85 -1.92 -1.33 115.31 135.70 3abd h LEU 115 Ca -0.27 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.52 3abd h LEU 115 Cb 1.11 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.82 3abd h LEU 115 CO 1.20 0.64 -0.12 0.25 -0.34 0.00 0.00 178.44 180.07 3abd h LEU 116 N 0.97 -0.49 -0.65 2.25 5.85 -1.98 1.08 115.31 122.34 3abd h LEU 116 Ca 0.26 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 3abd h LEU 116 Cb -0.06 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3abd h LEU 116 CO -0.05 -0.18 0.34 -1.28 -0.34 0.00 0.00 178.44 176.93 3abd h SER 117 N 0.02 0.82 0.20 1.25 0.87 -1.79 0.18 113.55 115.10 3abd h SER 117 Ca 0.29 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3abd h SER 117 Cb 0.45 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3abd h SER 117 CO -0.59 0.69 -0.27 -0.74 -0.53 0.00 0.00 176.83 175.39 3abd h HIS 118 N 0.89 -0.74 -0.98 2.24 -0.00 0.26 -2.55 115.15 114.28 3abd h HIS 118 Ca 0.23 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.63 3abd h HIS 118 Cb 0.06 0.30 -0.05 0.00 -0.00 0.00 0.00 27.41 27.72 3abd h HIS 118 CO -0.00 -0.39 0.64 0.28 -0.00 0.00 0.00 177.93 178.46 3abd h VAL 119 N -0.54 1.21 -0.18 5.26 2.07 0.14 -2.03 116.25 122.17 3abd h VAL 119 Ca 0.01 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 3abd h VAL 119 Cb 0.53 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3abd h VAL 119 CO -0.11 0.23 -0.38 -0.33 0.02 0.00 0.00 177.57 177.01 3abd h GLU 120 N 1.28 0.41 -0.34 1.57 5.08 -0.80 -0.34 114.58 121.43 3abd h GLU 120 Ca 0.38 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3abd h GLU 120 Cb -0.07 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3abd h GLU 120 CO -0.10 0.73 -0.02 1.96 -1.00 0.00 0.00 179.01 180.58 3abd h GLN 121 N 0.34 0.54 -0.22 2.33 4.20 -0.96 -0.91 115.11 120.43 3abd h GLN 121 Ca 0.03 -0.12 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 3abd h GLN 121 Cb 0.82 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3abd h GLN 121 CO 0.07 0.58 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.27 3abd h LEU 122 N 0.51 0.62 -0.76 1.46 3.38 -0.79 -2.95 115.31 116.78 3abd h LEU 122 Ca 0.11 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 3abd h LEU 122 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3abd h LEU 122 CO 0.01 0.99 -0.61 -0.07 0.09 0.00 0.00 178.44 178.85 3abd h LEU 123 N 0.46 0.00 -1.53 1.67 3.38 -0.54 -2.13 115.31 116.63 3abd h LEU 123 Ca 0.03 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.11 3abd h LEU 123 Cb 0.99 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 3abd h LEU 123 CO 0.09 0.61 0.47 0.00 0.09 0.00 0.00 178.44 179.70 3abd h ALA 124 N 1.39 1.96 -0.40 1.53 0.00 -1.00 -1.47 119.26 121.26 3abd h ALA 124 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3abd h ALA 124 Cb 1.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3abd h ALA 124 CO 0.08 -0.13 -0.16 0.00 0.00 0.00 0.00 179.25 179.04 3abd h ALA 125 N 1.65 0.97 -0.38 0.00 0.00 -1.41 -0.78 119.26 119.30 3abd h ALA 125 Ca 0.33 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3abd h ALA 125 Cb 0.60 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3abd h ALA 125 CO -0.11 0.61 0.11 0.74 0.00 0.00 0.00 179.25 180.59 3abd h PHE 126 N 0.67 0.63 -0.30 0.00 -1.00 -1.31 -1.63 116.94 114.00 3abd h PHE 126 Ca 0.11 -0.07 0.05 0.00 2.81 0.00 0.00 57.97 60.87 3abd h PHE 126 Cb 0.64 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 39.98 3abd h PHE 126 CO 0.03 0.60 0.02 0.82 -1.61 0.00 0.00 178.31 178.18 3abd h ILE 127 N 0.47 0.81 -0.80 -0.55 1.08 -1.21 -1.07 117.51 116.24 3abd h ILE 127 Ca 0.12 -0.04 0.11 0.00 -0.39 0.00 0.00 64.86 64.66 3abd h ILE 127 Cb 0.28 0.68 -0.08 0.00 -3.07 0.00 0.00 36.82 34.63 3abd h ILE 127 CO -0.00 0.02 0.43 -0.07 -0.69 0.00 0.00 178.15 177.84 3abd h LEU 128 N 0.12 0.57 -0.41 1.44 3.38 -1.00 0.03 115.31 119.44 3abd h LEU 128 Ca 0.14 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3abd h LEU 128 Cb 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3abd h LEU 128 CO -0.22 0.30 -0.03 0.11 0.09 0.00 0.00 178.44 178.69 3abd h LYS 129 N 0.69 0.74 -0.84 1.13 1.79 -0.83 -3.01 116.57 116.24 3abd h LYS 129 Ca 0.40 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3abd h LYS 129 Cb 0.45 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.00 3abd h LYS 129 CO -0.29 0.84 0.54 0.82 -1.08 0.00 0.00 179.45 180.28 3abd h ILE 130 N 0.56 1.22 -0.19 1.86 2.04 -0.87 -2.75 117.51 119.38 3abd h ILE 130 Ca 0.11 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.60 3abd h ILE 130 Cb 0.53 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3abd h ILE 130 CO 0.03 0.22 0.16 0.28 0.00 0.00 0.00 178.15 178.83 3abd h SER 131 N 1.14 0.00 -0.08 1.72 0.02 -0.86 -1.77 113.55 113.73 3abd h SER 131 Ca 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 3abd h SER 131 Cb -0.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3abd h SER 131 CO -0.06 0.00 -0.19 1.33 -1.14 0.00 0.00 176.83 176.76 3abd n VAL 132 N -4.24 2.14 1.30 2.27 0.24 -1.15 -4.72 118.33 114.18 3abd n VAL 132 Ca 0.02 -2.66 0.14 0.00 -2.04 0.00 0.00 64.34 59.81 3abd n VAL 132 Cb 0.29 -0.25 0.69 0.00 -1.47 0.00 0.00 33.84 33.10 3abd n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3abd n ASP 134 N -1.32 0.53 0.27 0.00 5.75 -1.26 -1.83 116.55 118.69 3abd n ASP 134 Ca 0.12 0.61 0.15 0.00 -0.01 0.00 0.00 54.79 55.66 3abd n ASP 134 Cb 0.27 -0.73 0.66 0.00 -1.03 0.00 0.00 41.12 40.30 3abd n ASP 134 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3abd h ALA 135 N 2.39 1.03 0.00 2.12 0.00 -1.87 -3.27 119.26 119.66 3abd h ALA 135 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3abd h ALA 135 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3abd h ALA 135 CO 0.00 0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.67 3abd n VAL 136 N -3.23 0.45 -4.58 0.00 0.24 -0.76 -5.01 118.33 105.45 3abd n VAL 136 Ca -0.00 -0.67 -0.30 0.00 -2.04 0.00 0.00 64.34 61.33 3abd n VAL 136 Cb 0.32 0.83 -0.13 0.00 -1.47 0.00 0.00 33.84 33.38 3abd n VAL 136 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3abd s LEU 137 N -0.45 2.33 0.53 1.34 1.43 -1.08 -5.10 118.68 117.67 3abd s LEU 137 Ca 0.00 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.25 3abd s LEU 137 Cb 0.00 -1.30 -0.07 0.00 0.03 0.00 0.00 46.19 44.86 3abd s LEU 137 CO 0.00 0.21 1.08 -1.81 0.23 0.00 0.00 176.35 176.06 3abd s ASP 138 N -1.74 5.98 0.61 2.29 1.11 -1.26 -4.85 116.67 118.80 3abd s ASP 138 Ca 0.14 2.03 -0.18 0.00 0.18 0.00 0.00 52.55 54.72 3abd s ASP 138 Cb -0.10 -2.57 -0.06 0.00 1.07 0.00 0.00 42.92 41.26 3abd s ASP 138 CO 0.05 -1.04 0.69 1.41 1.18 0.00 0.00 175.17 177.47 3abd n HIS 139 N -1.25 -0.13 -2.69 4.23 8.25 -1.26 -4.98 115.22 117.38 3abd n HIS 139 Ca 0.10 0.43 -0.31 0.00 -0.26 0.00 0.00 57.72 57.67 3abd n HIS 139 Cb 0.52 -2.02 -0.04 0.00 1.12 0.00 0.00 29.99 29.57 3abd n HIS 139 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3abd s ASN 140 N -1.26 6.62 0.78 0.41 0.01 -1.26 -4.99 114.94 115.24 3abd s ASN 140 Ca 0.71 1.36 -0.14 0.00 -0.71 0.00 0.00 52.86 54.09 3abd s ASN 140 Cb -0.42 -2.42 0.07 0.00 0.41 0.00 0.00 41.25 38.89 3abd s ASN 140 CO 0.52 -0.45 1.19 -2.16 -1.51 0.00 0.00 177.10 174.69 3abd s PRO 141 N -3.80 1.85 0.61 -0.60 0.04 -1.26 -4.99 135.00 126.85 3abd s PRO 141 Ca 0.55 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 63.11 3abd s PRO 141 Cb -0.10 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 3abd s PRO 141 CO 0.29 -2.04 1.27 -2.14 0.04 0.00 0.00 177.00 174.41 3abd s PRO 142 N -4.12 2.79 0.00 0.56 0.02 -1.26 -3.86 135.00 129.13 3abd s PRO 142 Ca 0.72 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.74 3abd s PRO 142 Cb -0.28 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3abd s PRO 142 CO 0.49 -1.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 3abd n GLY 143 N 0.74 0.73 3.76 0.52 0.00 -1.26 -4.52 105.19 105.16 3abd n GLY 143 Ca 0.14 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3abd n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abd n THR 145 N -2.87 0.00 -4.08 0.00 -2.24 0.22 -4.88 114.28 100.44 3abd n THR 145 Ca 0.10 -0.83 -0.10 0.00 -2.27 0.00 0.00 64.05 60.95 3abd n THR 145 Cb 0.52 0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.98 3abd n THR 145 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3abd s PHE 146 N -2.13 0.71 0.28 4.78 -0.71 -1.26 -0.69 117.98 118.96 3abd s PHE 146 Ca 0.08 -1.07 -0.05 0.00 -1.04 0.00 0.00 56.93 54.85 3abd s PHE 146 Cb 0.00 -0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 41.49 3abd s PHE 146 CO 0.06 -0.61 0.41 -0.08 -1.34 0.00 0.00 175.22 173.65 3abd s THR 147 N -4.03 0.00 -0.11 -4.49 -1.32 -0.38 -4.94 115.64 100.37 3abd s THR 147 Ca 0.23 -1.62 0.03 0.00 -1.21 0.00 0.00 61.69 59.12 3abd s THR 147 Cb 0.06 -2.47 0.01 0.00 -1.51 0.00 0.00 72.50 68.59 3abd s THR 147 CO 0.02 0.00 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.54 3abd s VAL 148 N -3.59 1.82 -0.06 5.08 1.01 -1.26 -0.89 120.40 122.51 3abd s VAL 148 Ca 0.30 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3abd s VAL 148 Cb 0.01 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3abd s VAL 148 CO 0.15 0.51 -0.09 -0.76 0.00 0.00 0.00 175.10 174.91 3abd s LEU 149 N 0.64 3.06 -0.15 3.92 1.43 0.46 -4.97 118.68 123.08 3abd s LEU 149 Ca -0.13 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3abd s LEU 149 Cb -0.16 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.41 3abd s LEU 149 CO 0.03 0.36 -0.20 -0.69 0.23 0.00 0.00 176.35 176.08 3abd s VAL 150 N -0.79 1.97 -0.27 -1.59 1.01 -1.26 0.06 120.40 119.53 3abd s VAL 150 Ca 0.12 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 3abd s VAL 150 Cb -0.11 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 3abd s VAL 150 CO 0.01 0.53 0.20 -1.00 0.00 0.00 0.00 175.10 174.84 3abd s HIS 151 N 0.97 3.24 0.35 5.22 3.76 -0.04 -5.00 115.29 123.80 3abd s HIS 151 Ca -0.04 0.16 0.02 0.00 -0.15 0.00 0.00 55.06 55.05 3abd s HIS 151 Cb -0.15 -2.38 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 3abd s HIS 151 CO -0.05 -0.13 0.53 0.95 -0.85 0.00 0.00 174.74 175.19 3abd s THR 152 N 1.68 4.62 -0.18 1.30 -4.23 -1.26 -0.56 115.64 117.01 3abd s THR 152 Ca 0.08 -0.67 0.21 0.00 -1.18 0.00 0.00 61.69 60.13 3abd s THR 152 Cb -0.16 -3.67 0.22 0.00 1.34 0.00 0.00 72.50 70.24 3abd s THR 152 CO 0.10 -0.38 1.62 0.03 -0.54 0.00 0.00 174.62 175.45 3abd h ARG 153 N 0.75 0.00 -0.05 3.99 3.08 -0.97 -3.42 114.38 117.77 3abd h ARG 153 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 3abd h ARG 153 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 3abd h ARG 153 CO 0.58 0.23 -0.38 0.39 -1.07 0.00 0.00 179.97 179.73 3abd n GLU 161 N -3.20 1.60 -0.73 0.04 1.02 -1.26 -5.06 120.64 113.04 3abd n GLU 161 Ca 0.02 -3.20 0.07 0.00 -0.02 0.00 0.00 57.16 54.04 3abd n GLU 161 Cb 0.57 -1.63 0.36 0.00 -0.02 0.00 0.00 31.44 30.72 3abd n GLU 161 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3abd n LYS 162 N -1.15 4.20 -0.01 3.49 2.85 -1.26 -4.16 118.16 122.13 3abd n LYS 162 Ca 0.20 -2.84 0.10 0.00 -1.05 0.00 0.00 58.31 54.73 3abd n LYS 162 Cb 0.73 -2.07 -0.15 0.00 -0.65 0.00 0.00 35.03 32.89 3abd n LYS 162 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 3abd n ILE 163 N 0.78 0.00 -1.64 0.58 3.06 -1.26 -4.61 119.36 116.27 3abd n ILE 163 Ca 0.25 -0.33 -0.40 0.00 -2.50 0.00 0.00 62.75 59.77 3abd n ILE 163 Cb 1.02 0.34 -0.01 0.00 0.54 0.00 0.00 39.64 41.52 3abd n ILE 163 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3abd n GLN 164 N -1.98 3.54 0.00 9.51 10.64 -1.26 -4.59 117.38 133.25 3abd n GLN 164 Ca -0.01 -2.63 0.10 0.00 -1.83 0.00 0.00 57.00 52.62 3abd n GLN 164 Cb 0.47 -2.95 0.03 0.00 -0.86 0.00 0.00 30.24 26.93 3abd n GLN 164 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3abd n VAL 165 N 3.80 0.00 -3.93 -0.39 0.31 -1.26 -4.74 118.33 112.11 3abd n VAL 165 Ca 0.64 -0.37 -0.30 0.00 -0.01 0.00 0.00 64.34 64.30 3abd n VAL 165 Cb 0.30 1.29 -0.16 0.00 -0.91 0.00 0.00 33.84 34.36 3abd n VAL 165 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3abd s ILE 166 N -1.99 1.41 0.53 2.52 1.01 -1.26 -4.99 121.20 118.43 3abd s ILE 166 Ca 0.18 -1.00 0.22 0.00 0.00 0.00 0.00 60.65 60.06 3abd s ILE 166 Cb 0.16 -1.62 0.35 0.00 0.01 0.00 0.00 42.46 41.36 3abd s ILE 166 CO 0.40 0.02 2.06 0.11 0.00 0.00 0.00 174.94 177.53 3abd h LYS 167 N 8.01 0.00 0.00 2.79 1.57 -1.99 0.53 116.57 127.48 3abd h LYS 167 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3abd h LYS 167 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3abd h LYS 167 CO 0.42 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.05 3abd n ASP 168 N -4.41 0.77 -3.45 0.86 8.00 -1.26 -4.29 116.55 112.77 3abd n ASP 168 Ca 0.05 0.62 -0.26 0.00 0.71 0.00 0.00 54.79 55.90 3abd n ASP 168 Cb 0.41 -0.81 -0.09 0.00 -0.02 0.00 0.00 41.12 40.61 3abd n ASP 168 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3abd n PHE 169 N -2.27 1.35 -1.82 1.24 7.35 0.19 -5.12 117.46 118.38 3abd n PHE 169 Ca 0.04 -3.82 -0.31 0.00 -0.76 0.00 0.00 57.45 52.60 3abd n PHE 169 Cb 0.34 -0.32 0.02 0.00 0.35 0.00 0.00 39.48 39.87 3abd n PHE 169 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3abd s PRO 170 N -1.30 3.38 0.24 -7.13 0.04 -1.24 -4.48 135.00 124.52 3abd s PRO 170 Ca 0.34 0.86 0.11 0.00 0.04 0.00 0.00 61.00 62.35 3abd s PRO 170 Cb 0.09 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3abd s PRO 170 CO -0.12 -0.74 -0.13 -1.58 0.04 0.00 0.00 177.00 174.47 3abd s TRP 171 N -3.05 2.48 0.03 0.56 0.52 -1.26 -5.11 118.94 113.12 3abd s TRP 171 Ca 0.57 -0.28 0.00 0.00 0.02 0.00 0.00 56.10 56.41 3abd s TRP 171 Cb -0.12 -1.13 -0.03 0.00 -1.15 0.00 0.00 33.47 31.04 3abd s TRP 171 CO 0.51 0.62 -0.04 -1.50 0.02 0.00 0.00 176.95 176.57 3abd s ILE 172 N -2.17 0.19 0.15 2.03 2.07 -1.26 -5.05 121.20 117.16 3abd s ILE 172 Ca 0.28 -1.16 -0.31 0.00 -1.41 0.00 0.00 60.65 58.05 3abd s ILE 172 Cb -0.07 -0.61 -0.10 0.00 0.13 0.00 0.00 42.46 41.81 3abd s ILE 172 CO 0.16 -0.61 1.62 -0.76 -1.91 0.00 0.00 174.94 173.44 3abd s LEU 173 N -1.84 4.37 0.38 8.50 1.43 -1.26 -4.95 118.68 125.30 3abd s LEU 173 Ca -0.10 2.63 -0.26 0.00 -1.03 0.00 0.00 54.13 55.37 3abd s LEU 173 Cb -0.06 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 3abd s LEU 173 CO -0.03 -0.87 1.18 0.00 0.23 0.00 0.00 176.35 176.86 3abd s ALA 174 N 1.57 3.23 0.59 4.21 0.00 -1.26 -5.06 121.76 125.04 3abd s ALA 174 Ca 0.72 1.01 0.10 0.00 0.00 0.00 0.00 51.96 53.79 3abd s ALA 174 Cb -0.44 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.39 3abd s ALA 174 CO 0.32 -0.51 0.82 0.16 0.00 0.00 0.00 175.76 176.55 3abd s ASP 175 N -1.01 5.03 0.30 0.00 -4.77 -1.26 -5.01 116.67 109.96 3abd s ASP 175 Ca 0.55 -0.90 0.10 0.00 -3.30 0.00 0.00 52.55 49.00 3abd s ASP 175 Cb -0.32 0.41 0.46 0.00 -1.09 0.00 0.00 42.92 42.38 3abd s ASP 175 CO 0.41 -1.41 1.68 -0.08 0.70 0.00 0.00 175.17 176.47 3abd h GLU 176 N 0.12 0.07 -0.15 2.11 4.22 -1.99 -2.19 114.58 116.76 3abd h GLU 176 Ca -0.29 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.01 3abd h GLU 176 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3abd h GLU 176 CO 0.40 0.57 -0.38 1.96 -2.18 0.00 0.00 179.01 179.38 3abd h GLN 177 N 0.05 0.33 0.00 1.92 4.20 -1.95 0.30 115.11 119.96 3abd h GLN 177 Ca -0.00 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3abd h GLN 177 Cb 0.93 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 3abd h GLN 177 CO 0.07 0.67 -0.13 -0.44 -0.67 0.00 0.00 178.83 178.33 3abd h ASP 178 N 0.28 0.00 0.00 1.46 3.32 -1.73 -3.38 116.42 116.37 3abd h ASP 178 Ca 0.03 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3abd h ASP 178 Cb 0.80 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3abd h ASP 178 CO 0.06 0.13 -1.47 1.33 -1.72 0.00 0.00 179.24 177.58 3abd n VAL 179 N -3.77 0.47 -1.85 -1.35 0.24 -0.82 -4.79 118.33 106.46 3abd n VAL 179 Ca -0.02 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 3abd n VAL 179 Cb 0.24 -0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 31.79 3abd n VAL 179 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3abd s HIS 180 N -2.16 2.97 -0.11 6.34 5.65 0.98 -4.96 115.29 123.99 3abd s HIS 180 Ca -0.10 0.49 -0.01 0.00 0.25 0.00 0.00 55.06 55.70 3abd s HIS 180 Cb 0.03 -4.02 0.03 0.00 -1.18 0.00 0.00 32.58 27.44 3abd s HIS 180 CO 0.20 -3.82 -0.07 1.41 -0.65 0.00 0.00 174.74 171.81 3abd s MET 181 N 1.22 1.44 0.08 2.88 1.75 -1.26 -4.61 119.30 120.79 3abd s MET 181 Ca 0.72 -0.23 -0.31 0.00 -1.25 0.00 0.00 55.69 54.62 3abd s MET 181 Cb -0.46 -1.55 -0.07 0.00 2.84 0.00 0.00 34.83 35.59 3abd s MET 181 CO 0.32 -0.28 1.36 -1.58 -0.65 0.00 0.00 175.02 174.19 3abd s HIS 182 N 1.73 3.16 -0.96 4.11 2.46 -1.26 -4.10 115.29 120.42 3abd s HIS 182 Ca 0.05 0.97 -0.05 0.00 0.47 0.00 0.00 55.06 56.49 3abd s HIS 182 Cb -0.13 -3.64 -0.06 0.00 -0.13 0.00 0.00 32.58 28.63 3abd s HIS 182 CO -0.08 -2.24 0.84 -3.47 -2.47 0.00 0.00 174.74 167.32 3abd n ASP 183 N 4.34 -5.92 -4.78 9.88 2.03 -1.26 -4.13 116.55 116.71 3abd n ASP 183 Ca 0.12 -0.64 -0.36 0.00 0.52 0.00 0.00 54.79 54.42 3abd n ASP 183 Cb 0.43 -4.79 -0.03 0.00 -0.72 0.00 0.00 41.12 36.01 3abd n ASP 183 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3abd s PRO 184 N -4.34 4.04 -0.13 -0.67 0.04 -1.26 -0.88 135.00 131.81 3abd s PRO 184 Ca 0.39 1.57 0.02 0.00 0.04 0.00 0.00 61.00 63.01 3abd s PRO 184 Cb -0.05 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 32.01 3abd s PRO 184 CO 0.67 -0.26 -0.19 0.50 0.04 0.00 0.00 177.00 177.76 3abd s ARG 185 N -2.60 3.16 -0.18 4.56 3.52 0.04 -4.88 118.95 122.58 3abd s ARG 185 Ca 0.60 -0.80 -0.08 0.00 -0.13 0.00 0.00 55.73 55.32 3abd s ARG 185 Cb -0.23 -2.48 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 3abd s ARG 185 CO 0.29 0.11 0.08 -1.17 -0.81 0.00 0.00 175.30 173.80 3abd s LEU 186 N 0.55 3.92 -0.35 -0.88 0.20 -1.26 -1.14 118.68 119.71 3abd s LEU 186 Ca -0.12 0.14 0.02 0.00 0.69 0.00 0.00 54.13 54.86 3abd s LEU 186 Cb -0.16 -1.99 0.11 0.00 -0.43 0.00 0.00 46.19 43.71 3abd s LEU 186 CO 0.04 0.20 0.11 -0.63 -0.29 0.00 0.00 176.35 175.78 3abd s ILE 187 N 0.20 1.59 0.32 6.68 1.01 0.04 -4.99 121.20 126.05 3abd s ILE 187 Ca 0.05 -2.04 -0.29 0.00 0.00 0.00 0.00 60.65 58.37 3abd s ILE 187 Cb -0.12 -2.17 -0.12 0.00 0.01 0.00 0.00 42.46 40.06 3abd s ILE 187 CO 0.00 -0.69 1.48 -2.65 0.00 0.00 0.00 174.94 173.08 3abd n PRO 188 N 4.33 2.50 -0.04 2.79 -0.02 -1.26 -0.90 135.00 142.39 3abd n PRO 188 Ca 0.02 0.88 -0.09 0.00 -2.02 0.00 0.00 63.50 62.29 3abd n PRO 188 Cb 0.40 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 3abd n PRO 188 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3abd n LEU 189 N 1.37 0.83 -3.54 2.45 4.77 -0.45 -4.88 117.00 117.54 3abd n LEU 189 Ca 0.06 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 3abd n LEU 189 Cb 0.37 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3abd n LEU 189 CO 0.63 0.05 0.59 -0.75 -1.33 0.00 0.00 177.39 176.58 3abd s LYS 190 N -2.21 0.86 0.04 3.23 2.47 -0.95 -4.96 119.74 118.23 3abd s LYS 190 Ca -0.13 0.21 0.03 0.00 -1.56 0.00 0.00 55.97 54.52 3abd s LYS 190 Cb 0.05 0.40 -0.02 0.00 -1.46 0.00 0.00 37.83 36.80 3abd s LYS 190 CO 0.17 -0.27 -0.10 0.99 0.16 0.00 0.00 175.35 176.30 3abd s THR 191 N -1.17 0.77 0.01 3.43 2.01 -1.26 -0.05 115.64 119.39 3abd s THR 191 Ca -0.07 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 60.88 3abd s THR 191 Cb -0.00 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 3abd s THR 191 CO 0.06 -0.22 0.05 0.00 -0.69 0.00 0.00 174.62 173.82 3abd s MET 192 N -1.37 0.39 -0.01 4.92 0.23 0.37 -5.00 119.30 118.84 3abd s MET 192 Ca -0.05 -0.52 0.06 0.00 -1.03 0.00 0.00 55.69 54.15 3abd s MET 192 Cb -0.09 0.15 -0.01 0.00 -1.53 0.00 0.00 34.83 33.35 3abd s MET 192 CO 0.01 -0.08 -0.18 0.99 -2.03 0.00 0.00 175.02 173.73 3abd s THR 193 N -1.46 1.44 0.36 3.16 2.01 -1.26 -1.69 115.64 118.20 3abd s THR 193 Ca -0.15 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 3abd s THR 193 Cb -0.09 -1.20 0.03 0.00 0.01 0.00 0.00 72.50 71.25 3abd s THR 193 CO 0.00 0.40 0.66 -0.94 -0.69 0.00 0.00 174.62 174.05 3abd s SER 194 N -0.45 0.32 0.51 3.53 1.04 -0.57 -4.97 113.70 113.11 3abd s SER 194 Ca 0.07 -1.23 0.29 0.00 0.48 0.00 0.00 55.95 55.56 3abd s SER 194 Cb -0.07 0.77 1.30 0.00 0.10 0.00 0.00 66.02 68.12 3abd s SER 194 CO -0.01 -1.50 1.98 0.44 0.98 0.00 0.00 173.24 175.13 3abd h ASP 195 N 2.05 0.00 -0.00 7.02 3.32 -1.97 -3.15 116.42 123.68 3abd h ASP 195 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3abd h ASP 195 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3abd h ASP 195 CO 0.39 0.12 -0.08 2.30 -1.72 0.00 0.00 179.24 180.25 3abd n ILE 196 N -3.37 0.00 -3.65 0.35 -5.35 -1.26 -4.58 119.36 101.50 3abd n ILE 196 Ca -0.01 -0.46 -0.06 0.00 -0.27 0.00 0.00 62.75 61.96 3abd n ILE 196 Cb 0.32 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.17 3abd n ILE 196 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3abd s LEU 197 N -1.61 -0.96 -0.06 7.28 2.96 -1.19 -4.31 118.68 120.79 3abd s LEU 197 Ca 0.01 1.50 0.02 0.00 -0.22 0.00 0.00 54.13 55.45 3abd s LEU 197 Cb 0.02 2.31 -0.03 0.00 0.50 0.00 0.00 46.19 48.99 3abd s LEU 197 CO 0.08 -0.23 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.22 3abd s LYS 198 N 1.97 2.67 -0.05 1.98 1.02 0.24 -1.52 119.74 126.06 3abd s LYS 198 Ca -0.09 -0.65 -0.09 0.00 0.02 0.00 0.00 55.97 55.16 3abd s LYS 198 Cb -0.07 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.79 3abd s LYS 198 CO -0.19 0.59 0.21 1.41 -0.92 0.00 0.00 175.35 176.45 3abd s MET 199 N -0.62 0.39 -0.02 1.68 1.75 -0.68 -0.77 119.30 121.03 3abd s MET 199 Ca 0.09 0.03 0.06 0.00 -1.25 0.00 0.00 55.69 54.62 3abd s MET 199 Cb -0.11 0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.72 3abd s MET 199 CO 0.01 -0.08 -0.20 -1.14 -0.65 0.00 0.00 175.02 172.96 3abd s GLN 200 N -0.55 1.69 -0.13 4.11 0.74 -0.53 -0.47 119.66 124.51 3abd s GLN 200 Ca -0.06 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 54.65 3abd s GLN 200 Cb -0.04 -1.60 0.00 0.00 1.10 0.00 0.00 33.01 32.47 3abd s GLN 200 CO 0.01 0.41 -0.20 -1.17 -0.55 0.00 0.00 175.29 173.79 3abd s LEU 201 N -0.41 2.26 0.08 3.68 2.96 0.93 -0.61 118.68 127.57 3abd s LEU 201 Ca 0.06 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3abd s LEU 201 Cb -0.08 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 3abd s LEU 201 CO -0.00 0.11 0.02 -0.72 -1.32 0.00 0.00 176.35 174.44 3abd s TYR 202 N 0.64 0.59 -0.09 5.38 1.13 -0.80 -1.34 117.35 122.86 3abd s TYR 202 Ca -0.10 -1.07 -0.01 0.00 -1.41 0.00 0.00 57.07 54.47 3abd s TYR 202 Cb -0.16 -0.38 -0.03 0.00 -1.10 0.00 0.00 41.96 40.28 3abd s TYR 202 CO 0.02 -0.44 -0.02 0.08 -2.51 0.00 0.00 175.55 172.68 3abd s VAL 203 N -3.95 4.12 -0.24 -3.49 1.01 -0.08 -0.34 120.40 117.43 3abd s VAL 203 Ca 0.12 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 3abd s VAL 203 Cb 0.07 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3abd s VAL 203 CO -0.06 0.59 0.04 -1.61 0.00 0.00 0.00 175.10 174.06 3abd s GLU 204 N -0.72 3.60 -0.12 2.72 2.02 0.72 -0.78 118.70 126.14 3abd s GLU 204 Ca 0.11 -0.51 -0.01 0.00 0.02 0.00 0.00 54.97 54.58 3abd s GLU 204 Cb -0.11 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.86 3abd s GLU 204 CO 0.02 -0.16 -0.09 -2.00 0.02 0.00 0.00 175.26 173.05 3abd s GLU 205 N 1.50 3.27 0.12 1.61 2.12 -0.30 -0.17 118.70 126.86 3abd s GLU 205 Ca 0.06 -0.61 -0.31 0.00 0.36 0.00 0.00 54.97 54.47 3abd s GLU 205 Cb -0.15 -2.69 -0.08 0.00 0.26 0.00 0.00 34.13 31.47 3abd s GLU 205 CO 0.02 0.35 1.45 0.50 -0.54 0.00 0.00 175.26 177.03 3abd s ARG 206 N 0.03 4.29 0.33 4.30 3.52 -0.20 -0.78 118.95 130.44 3abd s ARG 206 Ca -0.02 2.15 0.03 0.00 -0.13 0.00 0.00 55.73 57.75 3abd s ARG 206 Cb -0.14 -3.26 0.58 0.00 -1.56 0.00 0.00 34.95 30.57 3abd s ARG 206 CO 0.04 -0.50 1.91 0.00 -0.81 0.00 0.00 175.30 175.93 3abd h ALA 207 N 6.92 1.40 -3.44 6.12 0.00 -1.16 -3.37 119.26 125.73 3abd h ALA 207 Ca -0.42 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 53.67 3abd h ALA 207 Cb 1.21 -0.19 -0.38 0.00 0.00 0.00 0.00 17.79 18.43 3abd h ALA 207 CO 0.88 0.44 -0.63 -1.58 0.00 0.00 0.00 179.25 178.36 3abd s HIS 208 N -5.24 3.63 -0.10 0.00 5.65 -1.26 -4.89 115.29 113.07 3abd s HIS 208 Ca -0.09 -2.81 0.15 0.00 0.25 0.00 0.00 55.06 52.55 3abd s HIS 208 Cb 0.16 -3.03 -0.06 0.00 -1.18 0.00 0.00 32.58 28.47 3abd s HIS 208 CO 0.77 -0.93 1.16 0.87 -0.65 0.00 0.00 174.74 175.96 3abd h LYS 209 N 7.60 0.00 0.00 2.88 1.57 -1.96 -3.47 116.57 123.20 3abd h LYS 209 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3abd h LYS 209 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3abd h LYS 209 CO 0.61 0.48 0.00 0.41 -0.57 0.00 0.00 179.45 180.38 3abd n GLY 210 N 1.32 2.86 0.05 3.86 0.00 -1.26 -4.88 105.19 107.13 3abd n GLY 210 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3abd n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76