#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jtr n GLN 7 N 0.00 -1.08 -2.39 -0.52 7.27 -1.26 -5.06 117.38 114.34 3jtr n GLN 7 Ca 0.00 1.20 -0.33 0.00 0.07 0.00 0.00 57.00 57.94 3jtr n GLN 7 Cb 0.00 -2.11 -0.03 0.00 2.41 0.00 0.00 30.24 30.51 3jtr n GLN 7 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3jtr s ALA 8 N -0.30 2.98 0.92 1.69 0.00 -1.26 -5.03 121.76 120.76 3jtr s ALA 8 Ca -0.04 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 3jtr s ALA 8 Cb 0.00 -3.16 0.14 0.00 0.00 0.00 0.00 23.12 20.11 3jtr s ALA 8 CO 0.21 -0.31 1.10 -1.25 0.00 0.00 0.00 175.76 175.51 3jtr s PRO 9 N -3.88 1.03 0.88 0.00 0.04 -1.26 -4.94 135.00 126.87 3jtr s PRO 9 Ca 0.61 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 3jtr s PRO 9 Cb -0.12 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.75 3jtr s PRO 9 CO 0.29 -2.48 0.95 0.44 0.04 0.00 0.00 177.00 176.24 3jtr n ILE 10 N -4.08 0.74 -1.75 0.56 -5.35 -1.26 -4.89 119.36 103.33 3jtr n ILE 10 Ca 0.08 -0.13 -0.42 0.00 -0.27 0.00 0.00 62.75 62.01 3jtr n ILE 10 Cb 0.54 -0.95 -0.01 0.00 -1.74 0.00 0.00 39.64 37.48 3jtr n ILE 10 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3jtr n ALA 11 N -3.69 2.15 -1.06 -1.28 0.00 -1.26 -4.98 120.51 110.40 3jtr n ALA 11 Ca 0.11 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 3jtr n ALA 11 Cb 0.52 -2.39 0.12 0.00 0.00 0.00 0.00 19.45 17.69 3jtr n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jtr s ALA 12 N -0.72 1.97 0.01 0.00 0.00 -1.26 -5.02 121.76 116.74 3jtr s ALA 12 Ca 0.58 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.77 3jtr s ALA 12 Cb -0.51 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.21 3jtr s ALA 12 CO 0.58 -2.13 0.44 -0.47 0.00 0.00 0.00 175.76 174.19 3jtr s TYR 13 N -2.80 3.75 -0.47 0.00 5.04 -1.26 -5.05 117.35 116.55 3jtr s TYR 13 Ca 0.63 1.05 -0.09 0.00 -2.44 0.00 0.00 57.07 56.22 3jtr s TYR 13 Cb -0.19 -2.33 0.12 0.00 0.35 0.00 0.00 41.96 39.90 3jtr s TYR 13 CO 0.56 0.63 0.35 0.15 -1.34 0.00 0.00 175.55 175.90 3jtr s LYS 14 N -1.07 2.50 0.12 4.97 -0.14 -1.26 -5.06 119.74 119.79 3jtr s LYS 14 Ca 0.25 -1.75 -0.31 0.00 -1.36 0.00 0.00 55.97 52.80 3jtr s LYS 14 Cb -0.17 -3.93 -0.10 0.00 -1.68 0.00 0.00 37.83 31.95 3jtr s LYS 14 CO 0.15 -1.19 1.77 -2.14 -0.76 0.00 0.00 175.35 173.18 3jtr s PRO 15 N 1.37 4.15 0.00 -1.68 0.02 -1.26 -4.88 135.00 132.73 3jtr s PRO 15 Ca 0.05 2.52 0.23 0.00 0.02 0.00 0.00 61.00 63.82 3jtr s PRO 15 Cb -0.26 -3.55 0.04 0.00 0.02 0.00 0.00 34.50 30.75 3jtr s PRO 15 CO -0.00 -0.80 1.11 0.54 -0.33 0.00 0.00 177.00 177.52 3jtr n ARG 16 N 5.49 0.94 -3.81 5.54 1.74 -1.26 -4.50 116.66 120.80 3jtr n ARG 16 Ca 0.17 -0.76 -0.10 0.00 -0.77 0.00 0.00 57.85 56.40 3jtr n ARG 16 Cb 0.39 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 3jtr n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3jtr s SER 17 N -2.58 -0.12 -0.40 0.55 1.04 -1.26 -4.99 113.70 105.93 3jtr s SER 17 Ca 0.17 -0.61 -0.23 0.00 0.48 0.00 0.00 55.95 55.77 3jtr s SER 17 Cb 0.18 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.81 3jtr s SER 17 CO 0.62 -0.95 0.77 0.20 0.98 0.00 0.00 173.24 174.86 3jtr s ASN 18 N -2.90 6.48 -0.03 7.02 0.01 -1.26 -4.50 114.94 119.76 3jtr s ASN 18 Ca 0.11 0.14 -0.17 0.00 -0.71 0.00 0.00 52.86 52.23 3jtr s ASN 18 Cb 0.01 -2.38 0.03 0.00 0.41 0.00 0.00 41.25 39.32 3jtr s ASN 18 CO -0.04 -0.79 0.38 -1.83 -1.51 0.00 0.00 177.10 173.31 3jtr s GLU 19 N 3.13 0.72 -0.25 -0.60 -1.05 -0.49 -5.02 118.70 115.13 3jtr s GLU 19 Ca 0.30 -0.05 -0.07 0.00 -0.15 0.00 0.00 54.97 54.99 3jtr s GLU 19 Cb -0.13 0.32 -0.03 0.00 -0.44 0.00 0.00 34.13 33.86 3jtr s GLU 19 CO 0.19 -0.20 0.07 0.42 0.95 0.00 0.00 175.26 176.70 3jtr s ILE 20 N -1.17 4.31 -0.44 1.83 1.01 -1.26 -0.77 121.20 124.71 3jtr s ILE 20 Ca -0.12 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 3jtr s ILE 20 Cb -0.04 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.45 3jtr s ILE 20 CO 0.05 0.32 0.34 -0.76 0.00 0.00 0.00 174.94 174.89 3jtr s LEU 21 N 1.61 5.34 -0.02 2.97 1.43 0.87 -4.89 118.68 125.99 3jtr s LEU 21 Ca 0.06 -1.13 -0.19 0.00 -1.03 0.00 0.00 54.13 51.85 3jtr s LEU 21 Cb -0.15 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 3jtr s LEU 21 CO 0.04 -0.54 0.53 0.26 0.23 0.00 0.00 176.35 176.86 3jtr s TRP 22 N 1.65 3.67 0.33 0.29 0.52 -1.26 -0.83 118.94 123.31 3jtr s TRP 22 Ca 0.04 1.10 0.00 0.00 0.02 0.00 0.00 56.10 57.27 3jtr s TRP 22 Cb -0.22 -2.52 0.07 0.00 -1.15 0.00 0.00 33.47 29.65 3jtr s TRP 22 CO 0.08 0.40 0.46 -0.40 0.02 0.00 0.00 176.95 177.51 3jtr n ASP 23 N 2.63 0.67 0.30 2.95 3.85 -0.93 -4.95 116.55 121.07 3jtr n ASP 23 Ca -0.09 -1.55 0.16 0.00 -0.71 0.00 0.00 54.79 52.60 3jtr n ASP 23 Cb 0.51 -0.29 0.92 0.00 -1.35 0.00 0.00 41.12 40.91 3jtr n ASP 23 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3jtr h GLY 24 N -0.25 0.00 -2.07 6.12 0.00 -1.99 -2.06 103.07 102.83 3jtr h GLY 24 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3jtr h GLY 24 CO 0.17 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.99 3jtr n TYR 25 N -3.70 0.43 -1.94 5.60 4.02 -1.26 -4.93 117.16 115.37 3jtr n TYR 25 Ca -0.03 -0.21 -0.02 0.00 -0.01 0.00 0.00 57.90 57.63 3jtr n TYR 25 Cb 0.11 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.43 3jtr n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3jtr n GLY 26 N 1.45 0.31 3.58 2.72 0.00 -0.77 -5.03 105.19 107.45 3jtr n GLY 26 Ca 0.19 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3jtr n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jtr s VAL 27 N -2.10 4.85 -0.12 1.61 1.01 -1.26 -4.89 120.40 119.51 3jtr s VAL 27 Ca 0.00 0.76 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 3jtr s VAL 27 Cb 0.00 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 3jtr s VAL 27 CO 0.00 -0.31 1.12 -2.16 0.00 0.00 0.00 175.10 173.75 3jtr s PRO 28 N 2.81 4.34 -0.43 2.72 0.04 -1.26 -2.18 135.00 141.04 3jtr s PRO 28 Ca 0.27 1.53 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 3jtr s PRO 28 Cb -0.14 -3.60 0.03 0.00 0.04 0.00 0.00 34.50 30.83 3jtr s PRO 28 CO 0.15 -0.48 0.36 -1.01 0.04 0.00 0.00 177.00 176.06 3jtr s HIS 29 N 2.51 3.22 -0.33 0.56 3.76 -0.01 -4.96 115.29 120.05 3jtr s HIS 29 Ca 0.51 -0.61 -0.11 0.00 -0.15 0.00 0.00 55.06 54.70 3jtr s HIS 29 Cb -0.20 -2.80 -0.01 0.00 1.11 0.00 0.00 32.58 30.68 3jtr s HIS 29 CO 0.17 -0.67 0.20 0.42 -0.85 0.00 0.00 174.74 174.01 3jtr s ILE 30 N 1.80 4.93 -0.26 0.60 1.01 -1.26 -0.09 121.20 127.92 3jtr s ILE 30 Ca 0.07 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 3jtr s ILE 30 Cb -0.20 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 3jtr s ILE 30 CO 0.10 0.01 0.06 -0.31 0.00 0.00 0.00 174.94 174.80 3jtr s TYR 31 N 1.66 3.09 0.07 3.97 1.51 0.05 -4.97 117.35 122.74 3jtr s TYR 31 Ca 0.05 -0.75 0.10 0.00 -1.01 0.00 0.00 57.07 55.46 3jtr s TYR 31 Cb -0.17 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 3jtr s TYR 31 CO 0.08 -0.49 -0.26 0.20 -1.11 0.00 0.00 175.55 173.98 3jtr s GLY 32 N 1.54 1.42 0.00 0.71 0.00 -1.26 -1.40 107.32 108.34 3jtr s GLY 32 Ca 0.05 -1.31 0.18 0.00 0.00 0.00 0.00 44.72 43.64 3jtr s GLY 32 CO 0.02 -1.22 1.58 3.33 0.00 0.00 0.00 173.10 176.81 3jtr n VAL 33 N 1.55 0.67 -3.83 1.40 0.24 -1.26 -4.66 118.33 112.44 3jtr n VAL 33 Ca -0.17 0.17 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 3jtr n VAL 33 Cb 0.52 -0.86 -0.00 0.00 -1.47 0.00 0.00 33.84 32.03 3jtr n VAL 33 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3jtr s ASP 34 N -2.89 -0.14 0.13 -1.34 1.47 -1.26 -5.00 116.67 107.64 3jtr s ASP 34 Ca 0.11 -0.75 -0.23 0.00 1.18 0.00 0.00 52.55 52.86 3jtr s ASP 34 Cb 0.12 0.71 -0.04 0.00 -0.34 0.00 0.00 42.92 43.37 3jtr s ASP 34 CO 0.32 -1.35 1.66 0.00 0.68 0.00 0.00 175.17 176.48 3jtr h ALA 35 N 2.00 -0.14 0.00 2.11 0.00 -2.00 -1.66 119.26 119.57 3jtr h ALA 35 Ca -0.25 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3jtr h ALA 35 Cb 1.24 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 3jtr h ALA 35 CO 0.30 -0.64 -0.00 -1.35 0.00 0.00 0.00 179.25 177.56 3jtr h PRO 36 N -0.24 0.00 0.12 0.00 0.11 -1.93 -1.85 132.00 128.23 3jtr h PRO 36 Ca 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3jtr h PRO 36 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3jtr h PRO 36 CO -0.21 0.00 -0.06 0.77 -0.21 0.00 0.00 178.00 178.29 3jtr h SER 37 N 0.00 -0.14 -1.00 -2.05 0.02 -1.71 -1.44 113.55 107.24 3jtr h SER 37 Ca -0.00 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 3jtr h SER 37 Cb 0.01 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 3jtr h SER 37 CO 0.00 0.17 0.66 0.00 -1.14 0.00 0.00 176.83 176.52 3jtr h ALA 38 N 0.36 1.28 -0.62 3.77 0.00 -1.03 0.39 119.26 123.42 3jtr h ALA 38 Ca -0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3jtr h ALA 38 Cb 0.37 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3jtr h ALA 38 CO 0.03 0.62 0.02 0.74 0.00 0.00 0.00 179.25 180.65 3jtr h PHE 39 N 1.32 1.17 -0.23 0.00 -1.00 -1.30 0.45 116.94 117.36 3jtr h PHE 39 Ca 0.37 -0.20 0.01 0.00 2.81 0.00 0.00 57.97 60.97 3jtr h PHE 39 Cb -0.11 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.13 3jtr h PHE 39 CO -0.00 1.02 0.12 -0.92 -1.61 0.00 0.00 178.31 176.92 3jtr h TYR 40 N 0.99 0.23 -0.79 -0.55 3.20 -0.60 -0.67 116.97 118.79 3jtr h TYR 40 Ca 0.18 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.13 3jtr h TYR 40 Cb 0.54 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 3jtr h TYR 40 CO 0.04 0.13 0.46 0.78 -1.64 0.00 0.00 178.16 177.93 3jtr h GLY 41 N 0.26 1.19 1.01 1.82 0.00 -0.55 0.31 103.07 107.10 3jtr h GLY 41 Ca 0.09 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 3jtr h GLY 41 CO -0.05 0.20 0.06 -1.82 0.00 0.00 0.00 176.54 174.92 3jtr h TYR 42 N 0.83 0.95 -0.41 5.60 3.20 -0.56 -0.45 116.97 126.13 3jtr h TYR 42 Ca 0.35 -0.14 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 3jtr h TYR 42 Cb 0.22 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3jtr h TYR 42 CO -0.05 0.86 -0.19 0.78 -1.64 0.00 0.00 178.16 177.92 3jtr h GLY 43 N 0.77 0.85 0.69 1.82 0.00 -0.66 -1.18 103.07 105.36 3jtr h GLY 43 Ca 0.16 -0.70 0.02 0.00 0.00 0.00 0.00 47.33 46.81 3jtr h GLY 43 CO 0.02 0.64 -0.12 -0.25 0.00 0.00 0.00 176.54 176.82 3jtr h TRP 44 N 0.69 -0.31 -0.35 5.60 2.91 -0.69 -1.57 115.95 122.22 3jtr h TRP 44 Ca 0.10 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.10 3jtr h TRP 44 Cb 0.70 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.47 3jtr h TRP 44 CO 0.04 -0.19 0.09 0.00 -1.03 0.00 0.00 178.44 177.35 3jtr h ALA 45 N 0.75 0.46 -0.56 2.65 0.00 -0.95 -0.45 119.26 121.17 3jtr h ALA 45 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3jtr h ALA 45 Cb 0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3jtr h ALA 45 CO -0.12 0.13 0.25 1.96 0.00 0.00 0.00 179.25 181.47 3jtr h GLN 46 N 0.42 0.80 -0.19 0.00 4.20 -1.18 -0.97 115.11 118.18 3jtr h GLN 46 Ca 0.11 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 3jtr h GLN 46 Cb 0.30 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3jtr h GLN 46 CO 0.00 0.64 -0.56 0.00 -0.67 0.00 0.00 178.83 178.24 3jtr h ALA 47 N 1.48 0.67 -0.55 3.87 0.00 -0.83 0.16 119.26 124.05 3jtr h ALA 47 Ca 0.19 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.65 3jtr h ALA 47 Cb 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3jtr h ALA 47 CO -0.02 0.69 0.25 -0.09 0.00 0.00 0.00 179.25 180.08 3jtr h ARG 48 N 0.44 0.46 0.00 0.00 9.65 -0.44 -1.23 114.38 123.26 3jtr h ARG 48 Ca 0.01 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 3jtr h ARG 48 Cb 1.11 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.59 3jtr h ARG 48 CO 0.11 0.30 -1.17 0.43 2.80 0.00 0.00 179.97 182.44 3jtr n SER 49 N -4.92 0.75 -0.20 -3.80 7.64 -0.43 -4.56 113.62 108.10 3jtr n SER 49 Ca 0.06 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3jtr n SER 49 Cb 0.19 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 3jtr n SER 49 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3jtr n HIS 50 N -2.65 0.00 -0.31 1.43 8.25 0.53 -4.99 115.22 117.48 3jtr n HIS 50 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 3jtr n HIS 50 Cb 0.58 0.15 0.20 0.00 1.12 0.00 0.00 29.99 32.04 3jtr n HIS 50 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3jtr h GLY 51 N 0.00 0.95 0.78 -1.41 0.00 -1.08 -1.96 103.07 100.34 3jtr h GLY 51 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.52 3jtr h GLY 51 CO 0.00 -0.39 -0.14 -0.55 0.00 0.00 0.00 176.54 175.45 3jtr h ASP 52 N 0.04 -0.39 -0.20 0.19 3.45 -1.87 -0.11 116.42 117.53 3jtr h ASP 52 Ca 0.49 0.04 -0.13 0.00 0.43 0.00 0.00 57.03 57.87 3jtr h ASP 52 Cb 0.90 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.82 3jtr h ASP 52 CO -0.85 -0.22 -0.39 0.78 -1.57 0.00 0.00 179.24 177.00 3jtr h ASN 53 N -0.30 0.68 -0.32 6.45 -0.26 -1.83 -0.83 115.58 119.17 3jtr h ASN 53 Ca 0.01 -0.55 0.07 0.00 -0.56 0.00 0.00 56.30 55.28 3jtr h ASN 53 Cb 0.30 -0.20 -0.08 0.00 -1.06 0.00 0.00 38.32 37.29 3jtr h ASN 53 CO -0.06 1.10 -0.23 0.40 -1.06 0.00 0.00 177.43 177.57 3jtr h ILE 54 N 0.28 0.38 -0.61 2.81 2.04 -1.34 0.34 117.51 121.42 3jtr h ILE 54 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3jtr h ILE 54 Cb 0.99 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3jtr h ILE 54 CO 0.09 0.00 0.34 -0.07 0.00 0.00 0.00 178.15 178.50 3jtr h LEU 55 N -0.20 0.76 0.05 1.44 3.38 -0.92 0.12 115.31 119.94 3jtr h LEU 55 Ca 0.16 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3jtr h LEU 55 Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3jtr h LEU 55 CO -0.44 0.63 -0.13 -0.09 0.09 0.00 0.00 178.44 178.51 3jtr h ARG 56 N 0.83 -0.23 -0.41 1.13 2.43 -0.48 -0.49 114.38 117.16 3jtr h ARG 56 Ca 0.22 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.46 3jtr h ARG 56 Cb 0.04 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 3jtr h ARG 56 CO -0.03 -0.16 0.13 -0.07 -1.51 0.00 0.00 179.97 178.32 3jtr h LEU 57 N -0.24 0.11 -0.88 3.80 3.38 0.19 -1.53 115.31 120.14 3jtr h LEU 57 Ca 0.03 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3jtr h LEU 57 Cb 0.27 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3jtr h LEU 57 CO -0.09 0.10 0.57 1.88 0.09 0.00 0.00 178.44 180.98 3jtr h TYR 58 N 0.28 1.06 -0.61 1.13 0.99 -0.65 -1.23 116.97 117.93 3jtr h TYR 58 Ca 0.19 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.97 3jtr h TYR 58 Cb 0.20 -0.35 -0.03 0.00 1.00 0.00 0.00 36.73 37.55 3jtr h TYR 58 CO -0.17 0.60 0.40 0.78 -0.00 0.00 0.00 178.16 179.77 3jtr h GLY 59 N 1.09 0.84 1.09 3.88 0.00 -0.34 -2.06 103.07 107.57 3jtr h GLY 59 Ca 0.36 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 3jtr h GLY 59 CO -0.13 0.28 -0.35 0.83 0.00 0.00 0.00 176.54 177.18 3jtr h GLU 60 N 0.78 0.90 0.00 4.80 5.08 -0.48 -2.21 114.58 123.45 3jtr h GLU 60 Ca 0.23 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3jtr h GLU 60 Cb -0.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3jtr h GLU 60 CO -0.06 1.11 0.00 0.00 -1.00 0.00 0.00 179.01 179.07 3jtr n ALA 61 N -2.53 1.86 1.79 3.43 0.00 -0.54 0.17 120.51 124.69 3jtr n ALA 61 Ca -0.02 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3jtr n ALA 61 Cb 0.52 -1.42 0.67 0.00 0.00 0.00 0.00 19.45 19.22 3jtr n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jtr n ARG 62 N -2.29 0.90 -1.86 0.00 1.74 -0.83 -4.16 116.66 110.15 3jtr n ARG 62 Ca 0.03 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.98 3jtr n ARG 62 Cb 0.30 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 3jtr n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jtr n GLY 63 N 0.71 0.56 0.71 -0.13 0.00 0.13 -4.87 105.19 102.30 3jtr n GLY 63 Ca 0.17 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.90 3jtr n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jtr n LYS 64 N -2.44 2.90 -0.06 1.61 5.02 -0.84 -4.67 118.16 119.68 3jtr n LYS 64 Ca -0.15 -2.25 -0.10 0.00 -2.02 0.00 0.00 58.31 53.79 3jtr n LYS 64 Cb 0.54 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 3jtr n LYS 64 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3jtr h GLY 65 N 2.00 -0.41 1.54 0.72 0.00 -1.77 0.25 103.07 105.40 3jtr h GLY 65 Ca 0.00 0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.81 3jtr h GLY 65 CO 0.06 -0.21 0.22 0.00 0.00 0.00 0.00 176.54 176.60 3jtr h ALA 66 N 0.51 1.98 0.12 3.60 0.00 -1.78 0.42 119.26 124.12 3jtr h ALA 66 Ca 0.13 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3jtr h ALA 66 Cb 0.56 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.30 3jtr h ALA 66 CO -0.46 -0.03 -0.79 1.49 0.00 0.00 0.00 179.25 179.46 3jtr h GLU 67 N 0.26 0.26 -0.10 0.00 4.81 -1.50 -1.97 114.58 116.33 3jtr h GLU 67 Ca 0.14 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 3jtr h GLU 67 Cb 0.23 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3jtr h GLU 67 CO -0.03 1.21 -0.06 1.88 -0.73 0.00 0.00 179.01 181.28 3jtr h TYR 68 N -0.45 0.25 0.00 0.92 0.05 -0.84 -3.40 116.97 113.49 3jtr h TYR 68 Ca -0.15 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.57 3jtr h TYR 68 Cb 1.58 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.26 3jtr h TYR 68 CO 0.20 0.59 0.00 0.91 -1.05 0.00 0.00 178.16 178.81 3jtr n TRP 69 N -4.71 0.00 -3.96 4.88 8.01 0.12 -5.10 117.44 116.68 3jtr n TRP 69 Ca -0.07 -0.21 0.00 0.00 -1.31 0.00 0.00 57.50 55.91 3jtr n TRP 69 Cb 0.28 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.56 3jtr n TRP 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3jtr n GLY 70 N -0.21 -1.87 0.52 6.99 0.00 -0.74 -4.56 105.19 105.31 3jtr n GLY 70 Ca 0.00 -1.39 0.34 0.00 0.00 0.00 0.00 46.02 44.97 3jtr n GLY 70 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jtr h PRO 71 N 0.00 0.00 0.00 1.61 0.11 -1.93 0.82 132.00 132.62 3jtr h PRO 71 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3jtr h PRO 71 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3jtr h PRO 71 CO 0.00 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.54 3jtr n ASP 72 N -4.13 0.00 -0.16 -2.05 8.00 -1.26 -2.70 116.55 114.26 3jtr n ASP 72 Ca 0.24 0.43 0.05 0.00 0.71 0.00 0.00 54.79 56.22 3jtr n ASP 72 Cb 1.20 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 41.81 3jtr n ASP 72 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3jtr n TYR 73 N -1.47 0.00 -0.06 1.24 4.02 0.28 -4.73 117.16 116.43 3jtr n TYR 73 Ca 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.92 3jtr n TYR 73 Cb 0.24 0.00 0.20 0.00 -0.02 0.00 0.00 39.34 39.76 3jtr n TYR 73 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3jtr h GLU 74 N 0.78 0.67 -0.12 -0.72 4.81 -1.52 -2.32 114.58 116.16 3jtr h GLU 74 Ca 0.00 -0.19 -0.19 0.00 -0.13 0.00 0.00 59.36 58.85 3jtr h GLU 74 Cb 0.31 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3jtr h GLU 74 CO 0.00 0.72 -0.72 1.96 -0.73 0.00 0.00 179.01 180.25 3jtr h GLN 75 N 0.62 0.54 -0.61 1.92 1.08 -1.85 -0.31 115.11 116.51 3jtr h GLN 75 Ca 0.12 -0.43 -0.10 0.00 -1.45 0.00 0.00 58.65 56.79 3jtr h GLN 75 Cb 0.47 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 3jtr h GLN 75 CO 0.02 1.06 0.01 1.15 -0.95 0.00 0.00 178.83 180.12 3jtr h THR 76 N 0.38 1.27 -0.06 -0.54 2.02 -1.88 -0.06 112.91 114.03 3jtr h THR 76 Ca -0.03 -1.15 0.04 0.00 0.77 0.00 0.00 66.41 66.04 3jtr h THR 76 Cb 1.31 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3jtr h THR 76 CO 0.13 0.42 -0.20 0.74 0.37 0.00 0.00 175.52 176.98 3jtr h THR 77 N 0.98 0.51 -0.91 3.16 2.02 -1.00 0.04 112.91 117.71 3jtr h THR 77 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 3jtr h THR 77 Cb 0.55 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3jtr h THR 77 CO 0.03 0.00 0.53 0.58 0.37 0.00 0.00 175.52 177.03 3jtr h VAL 78 N -0.29 1.26 -0.26 3.16 2.07 -0.96 0.30 116.25 121.53 3jtr h VAL 78 Ca 0.08 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3jtr h VAL 78 Cb 0.40 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3jtr h VAL 78 CO -0.23 0.28 0.12 -0.25 0.02 0.00 0.00 177.57 177.51 3jtr h TRP 79 N 1.27 0.38 0.09 1.57 2.91 -0.62 -2.58 115.95 118.96 3jtr h TRP 79 Ca 0.33 -0.02 -0.28 0.00 1.13 0.00 0.00 58.89 60.04 3jtr h TRP 79 Cb -0.02 -0.12 0.02 0.00 -0.51 0.00 0.00 29.16 28.54 3jtr h TRP 79 CO 0.01 0.36 -1.17 -0.07 -1.03 0.00 0.00 178.44 176.54 3jtr h LEU 80 N 0.28 0.76 -0.39 0.65 3.38 -0.41 -2.28 115.31 117.31 3jtr h LEU 80 Ca 0.09 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 3jtr h LEU 80 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3jtr h LEU 80 CO -0.01 1.50 0.15 -0.07 0.09 0.00 0.00 178.44 180.11 3jtr h LEU 81 N 0.26 0.54 -1.38 1.67 3.38 -1.06 -1.08 115.31 117.63 3jtr h LEU 81 Ca -0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3jtr h LEU 81 Cb 1.84 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 3jtr h LEU 81 CO 0.22 0.56 0.10 0.74 0.09 0.00 0.00 178.44 180.15 3jtr h THR 82 N 0.48 1.16 -0.30 0.22 2.02 -1.48 0.25 112.91 115.27 3jtr h THR 82 Ca 0.13 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3jtr h THR 82 Cb 0.19 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3jtr h THR 82 CO -0.01 0.20 0.00 0.59 0.37 0.00 0.00 175.52 176.67 3jtr n ASN 83 N -4.36 2.06 -2.10 4.18 5.03 -0.86 -4.93 115.26 114.28 3jtr n ASN 83 Ca 0.02 -2.11 -0.10 0.00 0.87 0.00 0.00 54.58 53.26 3jtr n ASN 83 Cb 0.17 -0.31 -0.02 0.00 -1.02 0.00 0.00 39.78 38.60 3jtr n ASN 83 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jtr n GLY 84 N 0.79 -0.05 0.14 7.41 0.00 0.08 -4.90 105.19 108.65 3jtr n GLY 84 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3jtr n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3jtr h VAL 85 N 0.00 0.73 -0.88 1.61 2.07 -1.45 -1.11 116.25 117.21 3jtr h VAL 85 Ca -0.23 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3jtr h VAL 85 Cb 1.02 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3jtr h VAL 85 CO 0.29 0.00 0.47 -0.65 0.02 0.00 0.00 177.57 177.70 3jtr h PRO 86 N -0.07 1.24 -0.20 1.57 0.11 -1.76 -1.39 132.00 131.50 3jtr h PRO 86 Ca 0.09 -0.15 -0.15 0.00 0.11 0.00 0.00 66.00 65.90 3jtr h PRO 86 Cb 0.21 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3jtr h PRO 86 CO -0.21 0.92 -0.47 1.49 -0.21 0.00 0.00 178.00 179.51 3jtr h GLU 87 N 1.24 0.67 -0.57 1.05 4.81 -1.90 -2.73 114.58 117.14 3jtr h GLU 87 Ca 0.31 -0.46 0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3jtr h GLU 87 Cb 0.05 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3jtr h GLU 87 CO -0.05 1.08 0.38 -0.09 -0.73 0.00 0.00 179.01 179.60 3jtr h ARG 88 N 0.36 0.50 -0.42 1.92 2.43 -1.08 -1.03 114.38 117.05 3jtr h ARG 88 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3jtr h ARG 88 Cb 1.09 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3jtr h ARG 88 CO 0.10 0.33 0.28 0.00 -1.51 0.00 0.00 179.97 179.17 3jtr h ALA 89 N 1.69 0.54 -0.65 2.80 0.00 -1.14 0.43 119.26 122.92 3jtr h ALA 89 Ca 0.25 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.22 3jtr h ALA 89 Cb 0.33 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3jtr h ALA 89 CO -0.07 -0.00 0.30 1.96 0.00 0.00 0.00 179.25 181.43 3jtr h GLN 90 N 0.57 0.50 0.20 0.00 1.08 -0.90 0.37 115.11 116.93 3jtr h GLN 90 Ca 0.15 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 3jtr h GLN 90 Cb -0.06 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 3jtr h GLN 90 CO -0.03 0.33 -0.10 1.96 -0.95 0.00 0.00 178.83 180.04 3jtr h GLN 91 N 0.52 -0.26 -0.97 1.46 4.20 -0.71 -1.77 115.11 117.58 3jtr h GLN 91 Ca 0.32 0.02 0.16 0.00 0.06 0.00 0.00 58.65 59.21 3jtr h GLN 91 Cb 0.36 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.11 3jtr h GLN 91 CO -0.28 0.02 0.61 -1.49 -0.67 0.00 0.00 178.83 177.02 3jtr h TRP 92 N -0.52 0.96 0.20 2.96 4.06 0.04 0.91 115.95 124.56 3jtr h TRP 92 Ca -0.03 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 3jtr h TRP 92 Cb 0.39 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 3jtr h TRP 92 CO 0.01 0.30 -0.09 -0.92 -3.56 0.00 0.00 178.44 174.17 3jtr h TYR 93 N 0.76 -0.25 -0.14 0.49 3.20 -0.65 -2.59 116.97 117.79 3jtr h TYR 93 Ca 0.51 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.37 3jtr h TYR 93 Cb 0.79 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3jtr h TYR 93 CO -0.00 -0.11 0.06 0.00 -1.64 0.00 0.00 178.16 176.47 3jtr h ALA 94 N 0.48 1.84 -0.02 1.82 0.00 -0.33 -1.87 119.26 121.18 3jtr h ALA 94 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3jtr h ALA 94 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3jtr h ALA 94 CO 0.04 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.47 3jtr n GLN 95 N -4.48 1.13 -2.07 0.00 6.02 0.20 -4.88 117.38 113.30 3jtr n GLN 95 Ca -0.01 -0.20 -0.34 0.00 -0.01 0.00 0.00 57.00 56.45 3jtr n GLN 95 Cb 0.11 -1.40 0.02 0.00 1.02 0.00 0.00 30.24 29.98 3jtr n GLN 95 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3jtr s GLN 96 N -1.98 3.19 0.51 -1.09 -1.52 -0.71 -5.01 119.66 113.06 3jtr s GLN 96 Ca 0.37 1.43 -0.22 0.00 -1.95 0.00 0.00 55.36 55.00 3jtr s GLN 96 Cb 0.18 -2.00 -0.06 0.00 -0.22 0.00 0.00 33.01 30.91 3jtr s GLN 96 CO 0.29 -0.94 1.27 -1.54 -0.25 0.00 0.00 175.29 174.12 3jtr s SER 97 N -2.27 5.62 0.31 5.90 1.04 -1.26 -4.77 113.70 118.27 3jtr s SER 97 Ca 0.68 2.56 0.01 0.00 0.48 0.00 0.00 55.95 59.68 3jtr s SER 97 Cb -0.20 -2.62 0.54 0.00 0.10 0.00 0.00 66.02 63.84 3jtr s SER 97 CO 0.33 -1.31 1.93 -0.65 0.98 0.00 0.00 173.24 174.52 3jtr h PRO 98 N 1.66 0.98 -0.37 4.02 0.11 -1.96 0.24 132.00 136.69 3jtr h PRO 98 Ca -0.50 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 3jtr h PRO 98 Cb 1.28 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3jtr h PRO 98 CO 0.58 0.65 0.16 -0.44 -0.21 0.00 0.00 178.00 178.74 3jtr h ASP 99 N 1.01 0.50 0.56 -2.05 5.19 -2.00 -2.19 116.42 117.44 3jtr h ASP 99 Ca 0.36 -0.15 -0.16 0.00 -0.62 0.00 0.00 57.03 56.46 3jtr h ASP 99 Cb 0.13 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 3jtr h ASP 99 CO -0.12 0.50 -0.74 0.15 -3.12 0.00 0.00 179.24 175.92 3jtr h PHE 100 N 0.45 0.19 -0.67 4.55 3.57 -1.73 -2.98 116.94 120.33 3jtr h PHE 100 Ca 0.12 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3jtr h PHE 100 Cb 0.15 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3jtr h PHE 100 CO -0.01 0.82 0.43 -0.09 -2.23 0.00 0.00 178.31 177.23 3jtr h ARG 101 N 0.09 0.89 -0.43 1.11 2.43 -0.39 -1.75 114.38 116.33 3jtr h ARG 101 Ca -0.02 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 3jtr h ARG 101 Cb 1.30 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3jtr h ARG 101 CO 0.11 0.60 -0.09 0.00 -1.51 0.00 0.00 179.97 179.08 3jtr h ALA 102 N 1.56 1.04 -0.20 2.80 0.00 -1.28 -1.05 119.26 122.12 3jtr h ALA 102 Ca 0.24 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3jtr h ALA 102 Cb -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3jtr h ALA 102 CO -0.05 0.59 0.11 -0.91 0.00 0.00 0.00 179.25 178.99 3jtr h ASN 103 N 0.69 0.24 -0.56 0.00 2.35 -1.28 -1.24 115.58 115.78 3jtr h ASN 103 Ca 0.12 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3jtr h ASN 103 Cb 0.56 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 3jtr h ASN 103 CO 0.03 0.24 0.27 -0.07 -1.65 0.00 0.00 177.43 176.26 3jtr h LEU 104 N 0.22 0.75 -0.73 1.61 3.38 -1.14 -1.49 115.31 117.92 3jtr h LEU 104 Ca 0.07 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3jtr h LEU 104 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3jtr h LEU 104 CO -0.01 0.65 -0.20 0.44 0.09 0.00 0.00 178.44 179.41 3jtr h ASP 105 N 0.83 0.77 -0.58 -0.43 3.32 -1.03 -2.09 116.42 117.21 3jtr h ASP 105 Ca 0.21 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3jtr h ASP 105 Cb 0.10 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3jtr h ASP 105 CO -0.03 0.96 0.07 0.00 -1.72 0.00 0.00 179.24 178.51 3jtr h ALA 106 N 1.11 0.78 -0.08 3.45 0.00 -0.83 -0.67 119.26 123.02 3jtr h ALA 106 Ca 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3jtr h ALA 106 Cb 0.70 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3jtr h ALA 106 CO 0.05 0.56 0.02 0.35 0.00 0.00 0.00 179.25 180.23 3jtr h PHE 107 N 0.88 0.13 -0.89 0.00 3.57 -1.08 0.12 116.94 119.67 3jtr h PHE 107 Ca 0.17 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3jtr h PHE 107 Cb 0.46 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 3jtr h PHE 107 CO 0.03 0.29 0.59 0.00 -2.23 0.00 0.00 178.31 176.99 3jtr h ALA 108 N 0.83 1.46 -0.57 2.41 0.00 -1.33 -2.09 119.26 119.97 3jtr h ALA 108 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3jtr h ALA 108 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3jtr h ALA 108 CO -0.00 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.88 3jtr h ALA 109 N 1.49 0.75 -0.60 0.00 0.00 -0.35 -1.23 119.26 119.31 3jtr h ALA 109 Ca 0.36 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3jtr h ALA 109 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3jtr h ALA 109 CO -0.12 0.40 0.39 0.78 0.00 0.00 0.00 179.25 180.71 3jtr h GLY 110 N 0.80 0.85 0.91 0.00 0.00 -0.25 0.14 103.07 105.53 3jtr h GLY 110 Ca 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.23 3jtr h GLY 110 CO -0.01 0.28 0.09 -2.22 0.00 0.00 0.00 176.54 174.68 3jtr h ILE 111 N 0.78 0.99 -0.63 2.60 2.04 -1.17 -1.05 117.51 121.07 3jtr h ILE 111 Ca 0.23 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 3jtr h ILE 111 Cb -0.05 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3jtr h ILE 111 CO -0.07 0.03 0.27 0.78 0.00 0.00 0.00 178.15 179.17 3jtr h ASN 112 N 0.19 0.82 0.58 1.72 2.35 -0.73 -2.41 115.58 118.09 3jtr h ASN 112 Ca 0.07 -0.10 -0.21 0.00 -0.55 0.00 0.00 56.30 55.52 3jtr h ASN 112 Cb 0.02 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3jtr h ASN 112 CO -0.05 0.71 -0.93 0.00 -1.65 0.00 0.00 177.43 175.51 3jtr h ALA 113 N 1.41 0.45 -0.21 -0.83 0.00 -0.50 -1.53 119.26 118.04 3jtr h ALA 113 Ca 0.22 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3jtr h ALA 113 Cb 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3jtr h ALA 113 CO -0.02 0.92 0.06 -0.92 0.00 0.00 0.00 179.25 179.30 3jtr h TYR 114 N 0.12 0.33 0.00 0.00 3.20 -1.04 -1.86 116.97 117.72 3jtr h TYR 114 Ca -0.06 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 3jtr h TYR 114 Cb 1.58 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 3jtr h TYR 114 CO 0.04 0.41 -0.07 0.00 -1.64 0.00 0.00 178.16 176.89 3jtr h ALA 115 N 0.89 1.39 0.05 1.82 0.00 -1.24 -1.17 119.26 120.99 3jtr h ALA 115 Ca 0.07 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3jtr h ALA 115 Cb 0.23 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3jtr h ALA 115 CO -0.00 0.09 -0.58 0.37 0.00 0.00 0.00 179.25 179.13 3jtr h GLN 116 N 0.00 0.31 -0.00 0.00 -0.00 -1.01 -2.98 115.11 111.43 3jtr h GLN 116 Ca -0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 3jtr h GLN 116 Cb 0.19 0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.80 3jtr h GLN 116 CO 0.01 1.11 -0.15 0.94 0.00 0.00 0.00 178.83 180.74 3jtr n GLN 117 N -4.26 0.16 -2.89 1.69 0.00 -0.72 -4.17 117.38 107.18 3jtr n GLN 117 Ca -0.11 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.00 56.72 3jtr n GLN 117 Cb 0.68 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.44 3jtr n GLN 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3jtr n ASN 118 N -1.38 0.79 0.28 1.69 3.02 -0.47 -4.97 115.26 114.21 3jtr n ASN 118 Ca 0.09 -2.87 0.12 0.00 -0.03 0.00 0.00 54.58 51.88 3jtr n ASN 118 Cb 0.32 -0.35 0.78 0.00 -0.61 0.00 0.00 39.78 39.92 3jtr n ASN 118 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3jtr h PRO 119 N 2.94 0.00 0.00 3.52 0.13 -1.68 -1.51 132.00 135.39 3jtr h PRO 119 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 3jtr h PRO 119 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3jtr h PRO 119 CO 0.45 0.04 -0.07 0.38 -0.23 0.00 0.00 178.00 178.57 3jtr h ASP 120 N 0.00 0.00 0.25 1.44 2.03 -1.93 -2.68 116.42 115.52 3jtr h ASP 120 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3jtr h ASP 120 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 3jtr h ASP 120 CO 0.00 0.07 0.00 0.47 -1.03 0.00 0.00 179.24 178.75 3jtr n ASP 121 N -4.24 0.00 -4.36 4.15 8.00 -0.57 -4.76 116.55 114.77 3jtr n ASP 121 Ca -0.03 -0.56 -0.36 0.00 0.71 0.00 0.00 54.79 54.55 3jtr n ASP 121 Cb 0.15 -0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 40.99 3jtr n ASP 121 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3jtr s ILE 122 N -2.26 3.82 0.21 0.53 -1.09 -1.01 -4.82 121.20 116.57 3jtr s ILE 122 Ca 0.37 -0.44 -0.32 0.00 -2.23 0.00 0.00 60.65 58.02 3jtr s ILE 122 Cb 0.20 -2.82 -0.13 0.00 -1.58 0.00 0.00 42.46 38.13 3jtr s ILE 122 CO 0.39 0.31 1.50 -0.24 -1.23 0.00 0.00 174.94 175.66 3jtr n SER 123 N 4.85 2.98 -0.36 3.58 2.88 -1.26 -4.88 113.62 121.40 3jtr n SER 123 Ca -0.17 1.12 -0.01 0.00 -1.33 0.00 0.00 58.87 58.48 3jtr n SER 123 Cb 0.50 -1.44 0.04 0.00 -0.75 0.00 0.00 64.21 62.57 3jtr n SER 123 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3jtr h PRO 124 N 5.03 -0.02 -0.01 -1.46 0.11 -1.95 -2.59 132.00 131.11 3jtr h PRO 124 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3jtr h PRO 124 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3jtr h PRO 124 CO 0.82 -0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 3jtr n ASP 125 N -5.48 0.35 -1.13 -2.05 5.68 -1.26 -1.86 116.55 110.80 3jtr n ASP 125 Ca 0.10 -1.16 0.12 0.00 -0.50 0.00 0.00 54.79 53.34 3jtr n ASP 125 Cb 0.40 -0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.59 3jtr n ASP 125 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3jtr n VAL 126 N -0.70 0.46 -0.08 2.12 0.24 -0.98 -4.54 118.33 114.84 3jtr n VAL 126 Ca 0.22 -0.72 -0.11 0.00 -2.04 0.00 0.00 64.34 61.69 3jtr n VAL 126 Cb 0.16 1.00 0.02 0.00 -1.47 0.00 0.00 33.84 33.55 3jtr n VAL 126 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3jtr h ARG 127 N 4.43 0.81 0.00 7.34 3.08 -1.38 -2.92 114.38 125.75 3jtr h ARG 127 Ca 0.00 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3jtr h ARG 127 Cb 0.97 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3jtr h ARG 127 CO 0.00 1.06 0.09 -0.56 -1.07 0.00 0.00 179.97 179.49 3jtr h GLN 128 N 0.67 0.00 -0.46 0.04 3.07 -1.80 -1.30 115.11 115.33 3jtr h GLN 128 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.66 3jtr h GLN 128 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.51 3jtr h GLN 128 CO 0.09 0.00 -0.23 0.28 0.09 0.00 0.00 178.83 179.06 3jtr h VAL 129 N 0.00 1.27 -4.07 1.86 2.07 -1.83 -3.45 116.25 112.10 3jtr h VAL 129 Ca 0.00 -1.40 -0.53 0.00 0.82 0.00 0.00 66.70 65.59 3jtr h VAL 129 Cb 0.18 1.16 0.11 0.00 -1.52 0.00 0.00 31.29 31.22 3jtr h VAL 129 CO 0.00 0.48 0.50 -0.76 0.02 0.00 0.00 177.57 177.81 3jtr s LEU 130 N -9.03 3.76 0.57 2.57 1.43 -0.49 -4.44 118.68 113.04 3jtr s LEU 130 Ca -0.11 2.46 -0.15 0.00 -1.03 0.00 0.00 54.13 55.30 3jtr s LEU 130 Cb 0.12 -4.48 -0.05 0.00 0.03 0.00 0.00 46.19 41.81 3jtr s LEU 130 CO 0.87 -1.49 1.02 -2.16 0.23 0.00 0.00 176.35 174.81 3jtr s PRO 131 N -3.14 3.64 0.19 1.29 0.04 -1.26 -5.08 135.00 130.67 3jtr s PRO 131 Ca 0.74 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.83 3jtr s PRO 131 Cb -0.32 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 3jtr s PRO 131 CO 0.36 -0.54 0.29 0.14 0.04 0.00 0.00 177.00 177.30 3jtr s VAL 132 N -2.67 5.16 0.35 -0.36 -7.23 -1.26 -5.13 120.40 109.26 3jtr s VAL 132 Ca 0.60 -0.89 0.04 0.00 -1.81 0.00 0.00 61.98 59.92 3jtr s VAL 132 Cb -0.12 -3.72 -0.06 0.00 0.56 0.00 0.00 36.38 33.04 3jtr s VAL 132 CO 0.37 -0.20 0.06 -0.94 -0.31 0.00 0.00 175.10 174.08 3jtr s SER 133 N -3.55 2.64 0.35 4.85 1.04 -1.26 -4.69 113.70 113.07 3jtr s SER 133 Ca 0.34 -1.40 0.08 0.00 0.48 0.00 0.00 55.95 55.45 3jtr s SER 133 Cb -0.10 -0.07 0.80 0.00 0.10 0.00 0.00 66.02 66.75 3jtr s SER 133 CO 0.28 -0.61 1.86 1.23 0.98 0.00 0.00 173.24 176.97 3jtr h GLY 134 N 2.03 1.28 1.02 7.32 0.00 -1.87 -2.38 103.07 110.47 3jtr h GLY 134 Ca -0.41 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 3jtr h GLY 134 CO 0.70 0.08 -0.07 0.00 0.00 0.00 0.00 176.54 177.25 3jtr h ALA 135 N 1.60 0.64 -0.67 3.60 0.00 -1.92 -1.29 119.26 121.22 3jtr h ALA 135 Ca 0.47 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 55.20 3jtr h ALA 135 Cb 0.74 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 3jtr h ALA 135 CO -0.23 0.51 0.01 -0.44 0.00 0.00 0.00 179.25 179.11 3jtr h ASP 136 N 0.73 -0.28 -0.32 0.00 3.32 -1.82 0.58 116.42 118.63 3jtr h ASP 136 Ca 0.12 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 3jtr h ASP 136 Cb 0.61 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3jtr h ASP 136 CO 0.04 -0.13 0.10 0.58 -1.72 0.00 0.00 179.24 178.11 3jtr h VAL 137 N 0.12 1.20 -0.18 -1.35 2.07 -1.12 -1.53 116.25 115.47 3jtr h VAL 137 Ca 0.36 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3jtr h VAL 137 Cb 0.60 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3jtr h VAL 137 CO -0.57 0.22 0.11 0.58 0.02 0.00 0.00 177.57 177.93 3jtr h VAL 138 N 0.37 1.07 -0.44 2.57 2.07 -0.56 -2.70 116.25 118.62 3jtr h VAL 138 Ca 0.10 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3jtr h VAL 138 Cb 0.24 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3jtr h VAL 138 CO -0.00 0.06 0.17 0.00 0.02 0.00 0.00 177.57 177.81 3jtr h ALA 139 N 1.04 0.53 -0.47 1.67 0.00 0.42 -0.99 119.26 121.46 3jtr h ALA 139 Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3jtr h ALA 139 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3jtr h ALA 139 CO -0.01 -0.22 0.20 1.25 0.00 0.00 0.00 179.25 180.47 3jtr h HIS 140 N 0.34 0.69 -0.48 0.00 6.17 -1.25 0.14 115.15 120.76 3jtr h HIS 140 Ca 0.20 -0.04 0.05 0.00 0.71 0.00 0.00 60.37 61.29 3jtr h HIS 140 Cb 0.19 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 29.88 3jtr h HIS 140 CO -0.15 0.57 0.32 0.00 0.71 0.00 0.00 177.93 179.39 3jtr h ALA 141 N 1.05 1.88 -0.02 5.26 0.00 -1.17 0.27 119.26 126.53 3jtr h ALA 141 Ca 0.16 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 3jtr h ALA 141 Cb 0.16 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.85 3jtr h ALA 141 CO -0.02 0.05 -0.76 1.25 0.00 0.00 0.00 179.25 179.77 3jtr h HIS 142 N 0.45 0.80 -0.34 0.00 6.17 -0.11 -1.34 115.15 120.79 3jtr h HIS 142 Ca 0.21 -0.42 0.00 0.00 0.71 0.00 0.00 60.37 60.87 3jtr h HIS 142 Cb 0.24 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.06 3jtr h HIS 142 CO -0.00 1.25 0.22 -0.09 0.71 0.00 0.00 177.93 180.02 3jtr h ARG 143 N 0.13 0.45 0.20 5.26 2.43 -0.50 -2.10 114.38 120.24 3jtr h ARG 143 Ca -0.09 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3jtr h ARG 143 Cb 1.44 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.87 3jtr h ARG 143 CO 0.15 0.31 -0.23 1.25 -1.51 0.00 0.00 179.97 179.93 3jtr h LEU 144 N 0.46 -0.63 0.09 3.80 5.85 -0.84 0.66 115.31 124.70 3jtr h LEU 144 Ca 0.12 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3jtr h LEU 144 Cb -0.04 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3jtr h LEU 144 CO -0.03 -0.34 -0.04 0.24 -0.34 0.00 0.00 178.44 177.94 3jtr h MET 145 N -0.48 -0.11 0.00 1.25 2.86 -1.27 -2.20 114.93 114.98 3jtr h MET 145 Ca 0.01 0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.46 3jtr h MET 145 Cb 0.46 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 3jtr h MET 145 CO -0.08 0.43 -1.37 -0.91 1.06 0.00 0.00 176.91 176.04 3jtr h ASN 146 N -0.81 0.00 0.00 1.22 4.21 -1.46 -1.64 115.58 117.10 3jtr h ASN 146 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 3jtr h ASN 146 Cb 0.59 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 3jtr h ASN 146 CO 0.02 0.68 -0.03 0.49 -1.29 0.00 0.00 177.43 177.30 3jtr n PHE 147 N -2.98 0.00 0.10 1.19 3.01 0.08 -1.02 117.46 117.85 3jtr n PHE 147 Ca -0.10 -0.90 0.00 0.00 1.01 0.00 0.00 57.45 57.47 3jtr n PHE 147 Cb 0.88 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 3jtr n PHE 147 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3jtr n LEU 148 N -1.27 0.28 0.00 4.37 4.77 -0.37 -4.53 117.00 120.25 3jtr n LEU 148 Ca 0.14 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3jtr n LEU 148 Cb 0.62 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3jtr n LEU 148 CO 0.01 -0.76 0.40 -1.22 -1.33 0.00 0.00 177.39 174.49 3jtr n TYR 149 N -3.41 0.00 0.20 -1.77 4.02 -0.83 -3.94 117.16 111.43 3jtr n TYR 149 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 3jtr n TYR 149 Cb 0.00 -0.30 -0.04 0.00 -0.02 0.00 0.00 39.34 38.98 3jtr n TYR 149 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3jtr h VAL 150 N 0.00 0.00 -3.47 -0.72 2.07 -1.43 -3.39 116.25 109.32 3jtr h VAL 150 Ca 0.00 -0.07 -0.71 0.00 0.82 0.00 0.00 66.70 66.74 3jtr h VAL 150 Cb 0.00 0.00 -0.33 0.00 -1.52 0.00 0.00 31.29 29.44 3jtr h VAL 150 CO 0.00 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.16 3jtr s ALA 151 N -4.09 3.37 0.38 1.67 0.00 -0.19 -5.00 121.76 117.90 3jtr s ALA 151 Ca -0.07 -2.77 -0.24 0.00 0.00 0.00 0.00 51.96 48.88 3jtr s ALA 151 Cb 0.01 -2.63 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 3jtr s ALA 151 CO 0.22 -1.93 0.95 -1.54 0.00 0.00 0.00 175.76 173.47 3jtr s SER 152 N 1.75 7.12 0.51 0.00 1.04 -1.25 -4.06 113.70 118.81 3jtr s SER 152 Ca 0.10 1.78 0.21 0.00 0.48 0.00 0.00 55.95 58.53 3jtr s SER 152 Cb -0.22 -2.56 1.30 0.00 0.10 0.00 0.00 66.02 64.64 3jtr s SER 152 CO -0.03 -0.23 2.02 1.55 0.98 0.00 0.00 173.24 177.53 3jtr h PRO 153 N 2.56 0.08 -0.35 4.02 0.13 -1.89 -2.81 132.00 133.74 3jtr h PRO 153 Ca -0.48 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 3jtr h PRO 153 Cb 1.19 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jtr h PRO 153 CO 0.63 0.05 -0.22 0.78 -0.23 0.00 0.00 178.00 179.01 3jtr h GLY 154 N 0.08 0.83 1.84 1.56 0.00 -1.92 0.24 103.07 105.71 3jtr h GLY 154 Ca 0.22 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 3jtr h GLY 154 CO -0.02 0.71 -0.05 3.21 0.00 0.00 0.00 176.54 180.39 3jtr h ARG 155 N 0.55 0.20 0.08 4.80 3.08 -1.71 1.48 114.38 122.85 3jtr h ARG 155 Ca 0.07 -0.03 -0.26 0.00 0.07 0.00 0.00 59.98 59.83 3jtr h ARG 155 Cb 0.78 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3jtr h ARG 155 CO 0.06 0.26 -1.35 1.15 -1.07 0.00 0.00 179.97 179.03 3jtr h THR 156 N 0.20 1.00 0.00 2.04 2.02 -1.42 -3.33 112.91 113.42 3jtr h THR 156 Ca 0.05 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.89 3jtr h THR 156 Cb 0.22 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 3jtr h THR 156 CO 0.01 0.62 0.00 0.18 0.37 0.00 0.00 175.52 176.70 3jtr n LEU 157 N -4.05 0.08 -0.95 2.58 4.77 0.82 -4.92 117.00 115.33 3jtr n LEU 157 Ca -0.27 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3jtr n LEU 157 Cb 0.83 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3jtr n LEU 157 CO 0.35 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3jtr n GLY 158 N 1.15 0.59 0.00 -0.72 0.00 0.44 -5.03 105.19 101.61 3jtr n GLY 158 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3jtr n GLY 158 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jtr n GLU 159 N -0.95 0.00 0.00 1.61 1.02 0.48 -5.00 120.64 117.80 3jtr n GLU 159 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3jtr n GLU 159 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 3jtr n GLU 159 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jtr n GLY 160 N 0.00 3.65 3.90 0.62 0.00 -1.26 -4.42 105.19 107.69 3jtr n GLY 160 Ca 0.00 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 3jtr n GLY 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jtr s ASP 161 N 0.00 6.45 1.00 1.61 1.11 -1.26 -5.09 116.67 120.49 3jtr s ASP 161 Ca 0.00 0.49 -0.27 0.00 0.18 0.00 0.00 52.55 52.96 3jtr s ASP 161 Cb 0.00 -2.05 -0.18 0.00 1.07 0.00 0.00 42.92 41.76 3jtr s ASP 161 CO 0.00 0.11 -1.43 -2.65 1.18 0.00 0.00 175.17 172.38 3jtr n PRO 162 N 0.27 -0.11 0.00 8.23 -0.02 -1.26 -5.27 135.00 136.84 3jtr n PRO 162 Ca -0.04 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3jtr n PRO 162 Cb 0.52 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 3jtr n PRO 162 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18