#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tmy n LYS 3 N 0.00 0.03 -3.42 1.61 4.76 -1.26 -4.98 118.16 114.90 1tmy n LYS 3 Ca 0.00 -0.24 -0.37 0.00 -2.87 0.00 0.00 58.31 54.83 1tmy n LYS 3 Cb 0.00 -0.52 -0.06 0.00 -1.84 0.00 0.00 35.03 32.61 1tmy n LYS 3 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1tmy s ARG 4 N -0.02 4.29 -0.03 1.97 0.52 -1.26 -0.51 118.95 123.92 1tmy s ARG 4 Ca 0.00 0.29 0.07 0.00 -0.52 0.00 0.00 55.73 55.57 1tmy s ARG 4 Cb 0.00 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.03 1tmy s ARG 4 CO 0.00 0.21 -0.25 0.08 0.02 0.00 0.00 175.30 175.36 1tmy s VAL 5 N 0.49 2.00 -0.25 3.52 1.01 0.06 0.79 120.40 128.02 1tmy s VAL 5 Ca 0.22 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1tmy s VAL 5 Cb -0.14 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1tmy s VAL 5 CO 0.08 0.56 -0.02 -0.22 0.00 0.00 0.00 175.10 175.50 1tmy s LEU 6 N -0.48 3.20 -0.23 3.92 0.20 0.17 -1.24 118.68 124.22 1tmy s LEU 6 Ca 0.06 -0.61 -0.11 0.00 0.69 0.00 0.00 54.13 54.16 1tmy s LEU 6 Cb -0.11 -1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 43.86 1tmy s LEU 6 CO 0.00 -0.09 0.20 -0.63 -0.29 0.00 0.00 176.35 175.54 1tmy s ILE 7 N 1.44 5.33 -0.21 6.68 1.01 -0.99 -0.55 121.20 133.91 1tmy s ILE 7 Ca 0.03 0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1tmy s ILE 7 Cb -0.16 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1tmy s ILE 7 CO -0.02 0.33 -0.14 -0.69 0.00 0.00 0.00 174.94 174.42 1tmy s VAL 8 N 1.11 2.40 -0.29 2.92 1.01 0.12 -1.93 120.40 125.74 1tmy s VAL 8 Ca 0.09 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1tmy s VAL 8 Cb -0.14 -2.13 0.13 0.00 0.00 0.00 0.00 36.38 34.25 1tmy s VAL 8 CO 0.05 0.37 1.04 -0.62 0.00 0.00 0.00 175.10 175.94 1tmy s ASP 9 N 1.29 -0.44 0.28 3.32 -1.08 -0.98 -1.59 116.67 117.47 1tmy s ASP 9 Ca 0.02 0.80 0.15 0.00 -0.52 0.00 0.00 52.55 52.99 1tmy s ASP 9 Cb -0.15 0.93 0.25 0.00 -1.46 0.00 0.00 42.92 42.49 1tmy s ASP 9 CO -0.09 -0.13 1.53 -2.24 0.52 0.00 0.00 175.17 174.75 1tmy h ASP 10 N 4.72 0.00 -3.29 -0.34 2.03 -1.82 -3.37 116.42 114.35 1tmy h ASP 10 Ca -0.28 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.43 1tmy h ASP 10 Cb 1.18 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.60 1tmy h ASP 10 CO 0.14 0.56 0.59 0.00 -1.03 0.00 0.00 179.24 179.50 1tmy s ALA 11 N -3.19 3.60 0.21 4.15 0.00 -1.26 -4.95 121.76 120.32 1tmy s ALA 11 Ca 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.75 1tmy s ALA 11 Cb 0.10 -3.42 0.28 0.00 0.00 0.00 0.00 23.12 20.08 1tmy s ALA 11 CO 0.74 -1.13 1.74 0.00 0.00 0.00 0.00 175.76 177.11 1tmy h ALA 12 N 7.82 0.77 -0.75 0.00 0.00 -2.00 -1.64 119.26 123.47 1tmy h ALA 12 Ca -0.22 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1tmy h ALA 12 Cb 1.08 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1tmy h ALA 12 CO 0.93 -0.21 0.36 0.35 0.00 0.00 0.00 179.25 180.68 1tmy h PHE 13 N 0.38 1.07 -0.49 0.00 3.57 -1.98 -0.53 116.94 118.97 1tmy h PHE 13 Ca 0.31 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1tmy h PHE 13 Cb 0.39 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1tmy h PHE 13 CO -0.18 0.78 0.10 1.98 -2.23 0.00 0.00 178.31 178.76 1tmy h MET 14 N 1.05 0.75 -0.00 1.11 4.05 -1.74 0.32 114.93 120.46 1tmy h MET 14 Ca 0.26 -0.15 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1tmy h MET 14 Cb 0.11 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1tmy h MET 14 CO -0.03 0.69 0.00 0.00 0.23 0.00 0.00 176.91 177.80 1tmy h ARG 15 N 0.72 0.00 -0.40 0.39 3.08 -1.00 -0.03 114.38 117.15 1tmy h ARG 15 Ca 0.16 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.29 1tmy h ARG 15 Cb 0.30 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 1tmy h ARG 15 CO 0.00 0.29 -0.08 0.52 -1.07 0.00 0.00 179.97 179.63 1tmy h MET 16 N -0.28 0.02 0.69 0.04 2.86 -0.61 0.26 114.93 117.90 1tmy h MET 16 Ca 0.00 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1tmy h MET 16 Cb 0.29 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.95 1tmy h MET 16 CO 0.00 0.01 -0.33 1.98 1.06 0.00 0.00 176.91 179.63 1tmy h MET 17 N 0.02 -0.89 -0.71 1.72 1.85 -0.33 -0.81 114.93 115.78 1tmy h MET 17 Ca 0.19 0.06 0.01 0.00 -0.61 0.00 0.00 59.70 59.35 1tmy h MET 17 Cb 0.29 0.20 -0.04 0.00 0.43 0.00 0.00 31.60 32.49 1tmy h MET 17 CO -0.39 -0.59 0.47 1.25 -0.40 0.00 0.00 176.91 177.25 1tmy h LEU 18 N -0.94 0.82 -0.99 3.39 5.85 -0.63 -1.05 115.31 121.76 1tmy h LEU 18 Ca -0.09 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1tmy h LEU 18 Cb 0.71 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 1tmy h LEU 18 CO 0.16 0.59 0.64 0.50 -0.34 0.00 0.00 178.44 179.98 1tmy h LYS 19 N 0.97 1.11 0.16 1.25 3.64 -0.43 0.41 116.57 123.68 1tmy h LYS 19 Ca 0.26 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1tmy h LYS 19 Cb -0.11 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.44 1tmy h LYS 19 CO -0.06 0.74 -0.18 0.22 -2.27 0.00 0.00 179.45 177.90 1tmy h ASP 20 N 1.15 -0.47 -0.62 4.20 3.58 0.13 -0.32 116.42 124.05 1tmy h ASP 20 Ca 0.43 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.91 1tmy h ASP 20 Cb 0.19 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1tmy h ASP 20 CO -0.18 -0.26 0.31 0.40 -2.88 0.00 0.00 179.24 176.63 1tmy h ILE 21 N -0.38 1.21 -0.57 2.25 2.04 -0.74 0.61 117.51 121.94 1tmy h ILE 21 Ca 0.01 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1tmy h ILE 21 Cb 0.36 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1tmy h ILE 21 CO -0.05 0.24 0.22 0.40 0.00 0.00 0.00 178.15 178.96 1tmy h ILE 22 N 0.85 1.23 -0.14 -0.67 2.04 0.17 -1.93 117.51 119.06 1tmy h ILE 22 Ca 0.22 -0.71 -0.14 0.00 1.00 0.00 0.00 64.86 65.23 1tmy h ILE 22 Cb 0.10 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1tmy h ILE 22 CO -0.03 0.27 -0.50 0.74 0.00 0.00 0.00 178.15 178.63 1tmy h THR 23 N 0.79 1.34 0.00 -0.27 2.02 -0.77 -0.97 112.91 115.04 1tmy h THR 23 Ca 0.19 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 1tmy h THR 23 Cb 0.21 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1tmy h THR 23 CO -0.01 0.53 -0.06 0.11 0.37 0.00 0.00 175.52 176.46 1tmy h LYS 24 N 0.29 0.00 -0.61 6.66 1.57 -0.13 -1.98 116.57 122.38 1tmy h LYS 24 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1tmy h LYS 24 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1tmy h LYS 24 CO 0.09 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 1tmy n ALA 25 N -2.14 2.74 -0.66 3.86 0.00 -0.91 -4.90 120.51 118.50 1tmy n ALA 25 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1tmy n ALA 25 Cb 0.28 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1tmy n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tmy n GLY 26 N 1.16 0.73 4.00 0.00 0.00 -0.74 -5.06 105.19 105.28 1tmy n GLY 26 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1tmy n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tmy s TYR 27 N -2.48 2.44 0.06 1.61 1.51 -0.38 -5.02 117.35 115.08 1tmy s TYR 27 Ca 0.00 -0.29 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 1tmy s TYR 27 Cb 0.00 -2.57 -0.03 0.00 -0.11 0.00 0.00 41.96 39.25 1tmy s TYR 27 CO 0.00 -0.88 -0.16 -1.83 -1.11 0.00 0.00 175.55 171.57 1tmy s GLU 28 N -4.66 1.01 -0.43 -0.62 -1.05 0.34 -4.10 118.70 109.20 1tmy s GLU 28 Ca 0.58 -0.91 -0.19 0.00 -0.15 0.00 0.00 54.97 54.31 1tmy s GLU 28 Cb -0.09 -1.09 0.02 0.00 -0.44 0.00 0.00 34.13 32.54 1tmy s GLU 28 CO 0.37 0.26 0.54 0.08 0.95 0.00 0.00 175.26 177.46 1tmy s VAL 29 N -1.00 4.96 0.18 1.83 1.01 -1.26 -0.76 120.40 125.36 1tmy s VAL 29 Ca 0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1tmy s VAL 29 Cb -0.09 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1tmy s VAL 29 CO 0.02 -0.51 1.53 0.00 0.00 0.00 0.00 175.10 176.15 1tmy h ALA 30 N 8.80 0.71 0.00 5.51 0.00 -1.50 -3.47 119.26 129.30 1tmy h ALA 30 Ca -0.26 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1tmy h ALA 30 Cb 1.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1tmy h ALA 30 CO 0.84 0.66 0.00 0.41 0.00 0.00 0.00 179.25 181.17 1tmy n GLY 31 N 0.07 -1.72 3.16 0.00 0.00 -1.23 -5.03 105.19 100.45 1tmy n GLY 31 Ca -0.02 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 1tmy n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tmy s GLU 32 N -1.94 0.86 0.06 1.61 2.02 -1.26 -2.33 118.70 117.72 1tmy s GLU 32 Ca 0.00 -1.37 -0.13 0.00 0.02 0.00 0.00 54.97 53.49 1tmy s GLU 32 Cb 0.00 -0.05 0.02 0.00 0.10 0.00 0.00 34.13 34.20 1tmy s GLU 32 CO 0.00 -0.10 0.30 0.00 0.02 0.00 0.00 175.26 175.48 1tmy s ALA 33 N -3.77 -0.65 -1.11 5.21 0.00 -0.81 -4.94 121.76 115.70 1tmy s ALA 33 Ca 0.15 -0.08 0.17 0.00 0.00 0.00 0.00 51.96 52.20 1tmy s ALA 33 Cb 0.06 0.39 -0.12 0.00 0.00 0.00 0.00 23.12 23.45 1tmy s ALA 33 CO -0.03 -0.45 0.79 0.25 0.00 0.00 0.00 175.76 176.32 1tmy n THR 34 N 0.40 0.00 -3.93 0.00 -2.24 -1.26 -2.32 114.28 104.93 1tmy n THR 34 Ca -0.18 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 1tmy n THR 34 Cb 0.60 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 1tmy n THR 34 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1tmy s ASN 35 N -2.39 0.03 0.31 3.42 2.20 -1.26 -3.45 114.94 113.79 1tmy s ASN 35 Ca 0.09 -0.97 -0.01 0.00 -0.94 0.00 0.00 52.86 51.03 1tmy s ASN 35 Cb 0.13 0.70 0.47 0.00 -2.00 0.00 0.00 41.25 40.55 1tmy s ASN 35 CO 0.60 -1.34 1.97 1.23 -2.94 0.00 0.00 177.10 176.63 1tmy h GLY 36 N 2.11 1.13 1.00 0.45 0.00 -1.88 -1.52 103.07 104.36 1tmy h GLY 36 Ca -0.26 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 1tmy h GLY 36 CO 0.34 0.41 -0.43 -0.09 0.00 0.00 0.00 176.54 176.77 1tmy h ARG 37 N 1.09 -1.16 -0.90 4.80 2.43 -1.94 0.16 114.38 118.86 1tmy h ARG 37 Ca 0.29 0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.66 1tmy h ARG 37 Cb -0.12 0.26 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 1tmy h ARG 37 CO -0.06 -0.77 0.58 1.49 -1.51 0.00 0.00 179.97 179.69 1tmy h GLU 38 N -1.22 0.80 0.04 0.20 4.81 -1.96 -2.21 114.58 115.03 1tmy h GLU 38 Ca -0.12 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1tmy h GLU 38 Cb 0.92 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1tmy h GLU 38 CO 0.20 0.53 -0.23 0.00 -0.73 0.00 0.00 179.01 178.78 1tmy h ALA 39 N 1.57 -0.33 -0.39 2.92 0.00 -0.25 0.22 119.26 122.99 1tmy h ALA 39 Ca 0.44 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.35 1tmy h ALA 39 Cb 0.53 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1tmy h ALA 39 CO -0.20 -0.74 0.26 0.28 0.00 0.00 0.00 179.25 178.85 1tmy h VAL 40 N -0.39 1.05 -0.24 0.00 2.07 -0.13 0.12 116.25 118.73 1tmy h VAL 40 Ca 0.05 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 1tmy h VAL 40 Cb 0.45 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1tmy h VAL 40 CO -0.18 0.08 -0.17 -0.33 0.02 0.00 0.00 177.57 176.99 1tmy h GLU 41 N 0.45 0.55 -0.02 1.57 5.08 -0.56 -1.74 114.58 119.90 1tmy h GLU 41 Ca 0.15 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1tmy h GLU 41 Cb 0.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1tmy h GLU 41 CO -0.04 0.83 -0.45 0.87 -1.00 0.00 0.00 179.01 179.23 1tmy h LYS 42 N 0.26 0.05 -0.05 2.33 1.57 -0.09 -2.23 116.57 118.41 1tmy h LYS 42 Ca 0.05 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1tmy h LYS 42 Cb 0.70 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1tmy h LYS 42 CO 0.05 0.50 -0.11 -0.92 -0.57 0.00 0.00 179.45 178.39 1tmy h TYR 43 N 0.04 -0.28 -0.48 -1.35 5.03 -0.46 1.03 116.97 120.51 1tmy h TYR 43 Ca -0.00 0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.38 1tmy h TYR 43 Cb 0.82 0.13 -0.05 0.00 1.55 0.00 0.00 36.73 39.18 1tmy h TYR 43 CO 0.00 -0.17 0.19 0.87 -1.32 0.00 0.00 178.16 177.74 1tmy h LYS 44 N -0.16 0.37 0.00 1.82 1.57 -0.92 0.33 116.57 119.57 1tmy h LYS 44 Ca 0.06 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1tmy h LYS 44 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1tmy h LYS 44 CO -0.15 0.24 -0.70 1.05 -0.57 0.00 0.00 179.45 179.32 1tmy h GLU 45 N 0.38 0.00 0.00 3.15 4.11 -1.03 -3.38 114.58 117.81 1tmy h GLU 45 Ca 0.22 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.33 1tmy h GLU 45 Cb 0.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1tmy h GLU 45 CO -0.21 0.70 -2.23 1.28 0.07 0.00 0.00 179.01 178.62 1tmy n LEU 46 N -3.38 0.50 -3.47 3.06 4.77 0.35 -5.01 117.00 113.82 1tmy n LEU 46 Ca 0.01 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 1tmy n LEU 46 Cb 0.78 0.23 0.06 0.00 -2.33 0.00 0.00 43.42 42.16 1tmy n LEU 46 CO 0.43 0.51 0.02 1.17 -1.33 0.00 0.00 177.39 178.19 1tmy n LYS 47 N -2.74 -4.09 -1.48 3.23 4.81 0.11 -4.93 118.16 113.07 1tmy n LYS 47 Ca -0.31 0.75 -0.34 0.00 -0.87 0.00 0.00 58.31 57.54 1tmy n LYS 47 Cb 1.05 -5.46 0.08 0.00 0.02 0.00 0.00 35.03 30.72 1tmy n LYS 47 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1tmy s PRO 48 N -5.28 2.28 0.16 1.64 0.04 -1.26 -4.93 135.00 127.65 1tmy s PRO 48 Ca 0.21 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1tmy s PRO 48 Cb -0.04 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 1tmy s PRO 48 CO 0.77 -1.69 1.38 -0.44 0.04 0.00 0.00 177.00 177.05 1tmy h ASP 49 N -0.33 0.32 -5.06 6.66 3.32 0.01 -3.46 116.42 117.89 1tmy h ASP 49 Ca -0.47 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.18 1tmy h ASP 49 Cb 1.28 -0.10 -0.19 0.00 0.22 0.00 0.00 39.33 40.54 1tmy h ASP 49 CO 0.51 1.04 -0.68 -0.63 -1.72 0.00 0.00 179.24 177.76 1tmy s ILE 50 N -3.27 0.14 -0.01 0.35 1.01 -0.02 -4.21 121.20 115.19 1tmy s ILE 50 Ca -0.04 -1.16 0.04 0.00 0.00 0.00 0.00 60.65 59.49 1tmy s ILE 50 Cb 0.10 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 1tmy s ILE 50 CO 0.83 -0.64 -0.13 -0.69 0.00 0.00 0.00 174.94 174.32 1tmy s VAL 51 N -2.21 1.01 -0.13 2.92 1.01 0.12 0.43 120.40 123.54 1tmy s VAL 51 Ca -0.09 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1tmy s VAL 51 Cb -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1tmy s VAL 51 CO -0.04 0.29 -0.12 0.42 0.00 0.00 0.00 175.10 175.65 1tmy s THR 52 N -0.20 3.12 -0.16 3.92 -4.23 0.28 0.92 115.64 119.28 1tmy s THR 52 Ca 0.03 -0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 59.88 1tmy s THR 52 Cb -0.06 -2.31 0.05 0.00 1.34 0.00 0.00 72.50 71.52 1tmy s THR 52 CO -0.00 0.52 0.01 -0.32 -0.54 0.00 0.00 174.62 174.29 1tmy s MET 53 N 0.37 0.77 0.19 3.99 0.00 0.60 0.12 119.30 125.34 1tmy s MET 53 Ca -0.10 -0.33 -0.30 0.00 0.00 0.00 0.00 55.69 54.96 1tmy s MET 53 Cb -0.16 -1.85 -0.09 0.00 0.00 0.00 0.00 34.83 32.73 1tmy s MET 53 CO 0.05 -0.54 1.35 0.34 0.00 0.00 0.00 175.02 176.22 1tmy s ASP 54 N 1.85 6.84 -0.07 1.11 2.15 -0.62 -0.63 116.67 127.30 1tmy s ASP 54 Ca 0.01 2.43 0.21 0.00 0.43 0.00 0.00 52.55 55.63 1tmy s ASP 54 Cb -0.16 -2.61 0.43 0.00 -0.30 0.00 0.00 42.92 40.28 1tmy s ASP 54 CO -0.07 -0.58 1.18 2.30 -0.17 0.00 0.00 175.17 177.83 1tmy n ILE 55 N 2.84 0.72 0.22 4.11 -5.35 0.38 -4.72 119.36 117.55 1tmy n ILE 55 Ca 0.07 -1.75 0.10 0.00 -0.27 0.00 0.00 62.75 60.91 1tmy n ILE 55 Cb 0.42 0.61 0.38 0.00 -1.74 0.00 0.00 39.64 39.31 1tmy n ILE 55 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1tmy h THR 56 N 5.09 0.46 -3.50 7.28 1.35 -1.93 -3.39 112.91 118.27 1tmy h THR 56 Ca -0.15 -1.21 -0.70 0.00 -0.55 0.00 0.00 66.41 63.80 1tmy h THR 56 Cb 1.61 1.88 -0.35 0.00 -1.73 0.00 0.00 68.15 69.56 1tmy h THR 56 CO 0.07 0.21 -0.48 -0.04 -0.25 0.00 0.00 175.52 175.03 1tmy s MET 57 N -3.48 2.20 0.29 4.72 -1.94 -1.26 -4.94 119.30 114.89 1tmy s MET 57 Ca 0.02 -2.07 0.01 0.00 -1.71 0.00 0.00 55.69 51.95 1tmy s MET 57 Cb 0.09 -3.64 0.55 0.00 2.01 0.00 0.00 34.83 33.84 1tmy s MET 57 CO 0.65 -1.11 1.87 -1.00 -0.01 0.00 0.00 175.02 175.41 1tmy h PRO 58 N 7.70 0.98 0.00 2.03 0.13 -1.98 0.18 132.00 141.04 1tmy h PRO 58 Ca -0.09 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1tmy h PRO 58 Cb 1.01 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1tmy h PRO 58 CO 0.71 0.65 0.00 -0.85 -0.23 0.00 0.00 178.00 178.28 1tmy n GLU 59 N -4.56 0.00 0.00 0.86 0.00 -1.26 0.11 120.64 115.80 1tmy n GLU 59 Ca 0.17 0.46 0.14 0.00 0.00 0.00 0.00 57.16 57.92 1tmy n GLU 59 Cb 0.30 -1.51 0.59 0.00 0.00 0.00 0.00 31.44 30.81 1tmy n GLU 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1tmy n MET 60 N -1.52 0.40 -3.76 3.44 2.81 0.65 -4.94 117.12 114.20 1tmy n MET 60 Ca 0.01 -0.11 -0.25 0.00 -1.81 0.00 0.00 57.70 55.53 1tmy n MET 60 Cb 0.03 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.09 1tmy n MET 60 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1tmy n ASN 61 N -1.20 -3.73 0.26 7.83 5.15 0.31 -4.57 115.26 119.31 1tmy n ASN 61 Ca 0.12 -0.74 0.10 0.00 -0.60 0.00 0.00 54.58 53.46 1tmy n ASN 61 Cb 0.29 -4.23 0.69 0.00 -0.53 0.00 0.00 39.78 36.00 1tmy n ASN 61 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1tmy h GLY 62 N -2.12 0.00 1.41 8.20 0.00 -1.82 -2.01 103.07 106.73 1tmy h GLY 62 Ca -0.59 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1tmy h GLY 62 CO 0.61 0.00 0.03 -2.22 0.00 0.00 0.00 176.54 174.95 1tmy h ILE 63 N 0.00 1.23 -0.15 2.60 2.04 -1.91 -0.53 117.51 120.78 1tmy h ILE 63 Ca -0.00 -0.92 -0.15 0.00 1.00 0.00 0.00 64.86 64.79 1tmy h ILE 63 Cb 0.15 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1tmy h ILE 63 CO 0.01 0.32 -0.56 -0.78 0.00 0.00 0.00 178.15 177.15 1tmy h ASP 64 N 0.69 0.52 -0.87 1.72 3.58 -1.75 -1.93 116.42 118.38 1tmy h ASP 64 Ca 0.14 -0.28 0.03 0.00 0.42 0.00 0.00 57.03 57.34 1tmy h ASP 64 Cb 0.39 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 1tmy h ASP 64 CO 0.01 0.97 0.57 0.00 -2.88 0.00 0.00 179.24 177.91 1tmy h ALA 65 N 1.04 1.14 -0.63 -0.78 0.00 -1.12 -0.08 119.26 118.82 1tmy h ALA 65 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1tmy h ALA 65 Cb 1.08 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1tmy h ALA 65 CO 0.10 0.44 0.28 0.82 0.00 0.00 0.00 179.25 180.88 1tmy h ILE 66 N 1.12 1.23 -0.23 0.00 2.04 -0.79 -1.48 117.51 119.39 1tmy h ILE 66 Ca 0.34 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 1tmy h ILE 66 Cb -0.04 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1tmy h ILE 66 CO -0.10 0.27 -0.29 0.11 0.00 0.00 0.00 178.15 178.14 1tmy h LYS 67 N 0.88 0.45 0.07 2.37 1.57 -0.51 -1.73 116.57 119.68 1tmy h LYS 67 Ca 0.21 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1tmy h LYS 67 Cb 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1tmy h LYS 67 CO -0.02 0.70 -0.03 0.93 -0.57 0.00 0.00 179.45 180.45 1tmy h GLU 68 N 0.40 -0.09 -0.59 3.15 4.39 -0.66 -1.66 114.58 119.51 1tmy h GLU 68 Ca 0.05 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.85 1tmy h GLU 68 Cb 0.71 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.31 1tmy h GLU 68 CO 0.05 0.06 0.22 0.82 -1.16 0.00 0.00 179.01 179.00 1tmy h ILE 69 N -0.22 0.77 0.00 3.13 2.04 -1.18 -0.96 117.51 121.10 1tmy h ILE 69 Ca -0.01 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1tmy h ILE 69 Cb 0.19 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1tmy h ILE 69 CO 0.02 0.07 -0.11 0.24 0.00 0.00 0.00 178.15 178.37 1tmy h MET 70 N 0.40 0.00 0.58 2.37 2.86 -1.12 0.75 114.93 120.76 1tmy h MET 70 Ca 0.30 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.91 1tmy h MET 70 Cb 0.37 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.03 1tmy h MET 70 CO -0.30 0.11 -0.28 0.87 1.06 0.00 0.00 176.91 178.37 1tmy h LYS 71 N 0.00 -0.75 0.00 1.72 1.57 -0.23 -2.53 116.57 116.36 1tmy h LYS 71 Ca -0.00 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1tmy h LYS 71 Cb 0.21 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1tmy h LYS 71 CO 0.01 -0.44 -0.08 0.82 -0.57 0.00 0.00 179.45 179.20 1tmy h ILE 72 N -1.00 0.44 -1.27 1.86 2.04 -0.99 -3.37 117.51 115.21 1tmy h ILE 72 Ca -0.08 -0.38 -0.18 0.00 1.00 0.00 0.00 64.86 65.22 1tmy h ILE 72 Cb 0.66 1.26 -0.22 0.00 -0.74 0.00 0.00 36.82 37.78 1tmy h ILE 72 CO 0.13 0.07 -0.54 -0.62 0.00 0.00 0.00 178.15 177.19 1tmy s ASP 73 N -5.99 -0.81 0.59 1.72 2.15 0.26 -5.01 116.67 109.58 1tmy s ASP 73 Ca -0.03 -1.38 0.29 0.00 0.43 0.00 0.00 52.55 51.86 1tmy s ASP 73 Cb 0.13 1.52 1.49 0.00 -0.30 0.00 0.00 42.92 45.76 1tmy s ASP 73 CO 0.55 -0.15 1.91 1.55 -0.17 0.00 0.00 175.17 178.86 1tmy h PRO 74 N 6.32 0.00 -0.71 4.34 0.13 -1.63 0.13 132.00 140.58 1tmy h PRO 74 Ca 0.07 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.96 1tmy h PRO 74 Cb 1.12 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.11 1tmy h PRO 74 CO 0.11 0.00 0.27 0.09 -0.23 0.00 0.00 178.00 178.24 1tmy n ASN 75 N -3.73 4.47 -4.76 1.44 4.13 -1.26 -4.99 115.26 110.56 1tmy n ASN 75 Ca 0.08 -3.30 -0.36 0.00 1.68 0.00 0.00 54.58 52.68 1tmy n ASN 75 Cb 0.65 -0.74 0.02 0.00 -1.54 0.00 0.00 39.78 38.17 1tmy n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1tmy s ALA 76 N -3.04 2.67 -0.32 5.41 0.00 0.44 -5.01 121.76 121.90 1tmy s ALA 76 Ca 0.54 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1tmy s ALA 76 Cb 0.44 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 20.23 1tmy s ALA 76 CO 0.12 -0.96 0.02 0.15 0.00 0.00 0.00 175.76 175.09 1tmy s LYS 77 N -3.22 1.87 -0.05 0.00 1.02 -1.26 -4.92 119.74 113.18 1tmy s LYS 77 Ca 0.74 -1.66 0.06 0.00 0.02 0.00 0.00 55.97 55.13 1tmy s LYS 77 Cb -0.28 -3.17 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1tmy s LYS 77 CO 0.31 -0.82 -0.23 0.42 -0.92 0.00 0.00 175.35 174.12 1tmy s ILE 78 N 1.03 2.29 -0.08 2.17 1.01 -1.26 0.11 121.20 126.47 1tmy s ILE 78 Ca 0.03 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1tmy s ILE 78 Cb -0.20 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1tmy s ILE 78 CO -0.06 0.57 -0.21 -0.63 0.00 0.00 0.00 174.94 174.62 1tmy s ILE 79 N -0.31 2.40 -0.10 2.92 1.01 0.26 -0.03 121.20 127.35 1tmy s ILE 79 Ca 0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 1tmy s ILE 79 Cb -0.13 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1tmy s ILE 79 CO 0.02 0.56 0.20 0.54 0.00 0.00 0.00 174.94 176.27 1tmy s VAL 80 N -0.05 5.40 -0.18 2.92 0.11 -0.78 -0.29 120.40 127.53 1tmy s VAL 80 Ca -0.06 0.35 -0.09 0.00 -2.93 0.00 0.00 61.98 59.25 1tmy s VAL 80 Cb -0.14 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 31.18 1tmy s VAL 80 CO 0.05 0.60 0.14 0.00 -3.33 0.00 0.00 175.10 172.55 1tmy s SER 82 N 0.02 0.56 0.42 0.00 1.04 -1.05 -0.47 113.70 114.22 1tmy s SER 82 Ca 0.10 -1.36 0.07 0.00 0.48 0.00 0.00 55.95 55.24 1tmy s SER 82 Cb -0.11 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1tmy s SER 82 CO -0.00 -1.09 0.24 0.00 0.98 0.00 0.00 173.24 173.36 1tmy s ALA 83 N -3.66 3.77 0.21 5.32 0.00 -1.26 -0.46 121.76 125.67 1tmy s ALA 83 Ca 0.32 -1.98 -0.32 0.00 0.00 0.00 0.00 51.96 49.98 1tmy s ALA 83 Cb 0.02 -0.56 -0.12 0.00 0.00 0.00 0.00 23.12 22.45 1tmy s ALA 83 CO 0.16 -0.20 1.67 -1.33 0.00 0.00 0.00 175.76 176.07 1tmy n MET 84 N -1.35 2.62 -0.65 0.00 2.81 -1.25 -2.63 117.12 116.67 1tmy n MET 84 Ca -0.00 0.94 0.00 0.00 -1.81 0.00 0.00 57.70 56.83 1tmy n MET 84 Cb 0.64 -2.76 0.00 0.00 -0.71 0.00 0.00 33.22 30.39 1tmy n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tmy n GLY 85 N 3.61 0.72 2.28 3.03 0.00 -1.26 -4.97 105.19 108.61 1tmy n GLY 85 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1tmy n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tmy n GLN 86 N -2.45 2.78 -0.26 1.61 6.02 -1.08 -4.75 117.38 119.25 1tmy n GLN 86 Ca 0.00 -3.39 0.07 0.00 -0.01 0.00 0.00 57.00 53.68 1tmy n GLN 86 Cb 0.00 -2.28 0.21 0.00 1.02 0.00 0.00 30.24 29.19 1tmy n GLN 86 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1tmy h GLN 87 N 1.99 0.29 -0.11 -1.09 1.08 -1.93 -1.91 115.11 113.42 1tmy h GLN 87 Ca 0.58 -0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 57.58 1tmy h GLN 87 Cb 0.97 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1tmy h GLN 87 CO 1.48 0.19 -0.70 0.00 -0.95 0.00 0.00 178.83 178.84 1tmy h ALA 88 N 1.64 0.57 -0.59 3.87 0.00 -2.00 -1.06 119.26 121.69 1tmy h ALA 88 Ca 0.45 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1tmy h ALA 88 Cb 0.79 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1tmy h ALA 88 CO -0.52 0.73 0.06 0.52 0.00 0.00 0.00 179.25 180.04 1tmy h MET 89 N 0.35 0.98 -0.24 0.00 2.86 -1.91 -1.26 114.93 115.71 1tmy h MET 89 Ca -0.03 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1tmy h MET 89 Cb 1.28 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 1tmy h MET 89 CO 0.13 0.93 0.12 0.28 1.06 0.00 0.00 176.91 179.43 1tmy h VAL 90 N 0.92 1.00 -0.17 -2.22 2.07 -1.17 0.29 116.25 116.97 1tmy h VAL 90 Ca 0.18 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1tmy h VAL 90 Cb 0.45 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1tmy h VAL 90 CO 0.02 0.05 -0.03 0.40 0.02 0.00 0.00 177.57 178.02 1tmy h ILE 91 N 0.26 0.84 -0.37 4.57 2.04 -0.79 0.11 117.51 124.18 1tmy h ILE 91 Ca 0.10 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1tmy h ILE 91 Cb 0.02 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 1tmy h ILE 91 CO -0.06 0.00 -0.38 -0.33 0.00 0.00 0.00 178.15 177.38 1tmy h GLU 92 N 0.01 -0.30 -0.91 2.37 4.39 -0.90 0.36 114.58 119.59 1tmy h GLU 92 Ca 0.08 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.90 1tmy h GLU 92 Cb 0.12 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 1tmy h GLU 92 CO -0.17 -0.20 0.59 0.00 -1.16 0.00 0.00 179.01 178.07 1tmy h ALA 93 N 0.53 1.62 -0.26 3.43 0.00 0.48 0.63 119.26 125.70 1tmy h ALA 93 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1tmy h ALA 93 Cb 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1tmy h ALA 93 CO -0.53 0.18 -0.50 0.82 0.00 0.00 0.00 179.25 179.21 1tmy h ILE 94 N 0.90 1.29 -0.36 0.00 5.03 0.10 -1.78 117.51 122.70 1tmy h ILE 94 Ca 0.43 -1.70 0.03 0.00 -0.12 0.00 0.00 64.86 63.50 1tmy h ILE 94 Cb 0.43 1.71 -0.02 0.00 -3.03 0.00 0.00 36.82 35.92 1tmy h ILE 94 CO -0.19 0.55 0.24 0.11 -0.68 0.00 0.00 178.15 178.18 1tmy h LYS 95 N 0.55 0.37 0.00 2.37 1.57 0.30 -1.65 116.57 120.08 1tmy h LYS 95 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1tmy h LYS 95 Cb 1.11 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1tmy h LYS 95 CO 0.11 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.24 1tmy n ALA 96 N -2.50 1.71 0.00 3.86 0.00 0.15 -4.86 120.51 118.86 1tmy n ALA 96 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1tmy n ALA 96 Cb 0.15 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1tmy n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tmy n GLY 97 N 0.11 1.18 3.76 0.00 0.00 -0.62 -4.63 105.19 104.98 1tmy n GLY 97 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1tmy n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tmy s ALA 98 N -1.83 3.70 0.14 4.61 0.00 -0.71 -4.75 121.76 122.91 1tmy s ALA 98 Ca 0.00 1.58 0.09 0.00 0.00 0.00 0.00 51.96 53.62 1tmy s ALA 98 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1tmy s ALA 98 CO 0.00 -1.01 1.38 0.87 0.00 0.00 0.00 175.76 177.00 1tmy h LYS 99 N 4.33 0.00 0.00 0.00 1.79 -0.79 -3.41 116.57 118.49 1tmy h LYS 99 Ca -0.48 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.16 1tmy h LYS 99 Cb 1.23 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.85 1tmy h LYS 99 CO 0.75 0.86 0.59 -3.47 -1.08 0.00 0.00 179.45 177.11 1tmy n ASP 100 N -3.45 -1.66 -4.00 0.86 2.03 -1.24 -5.06 116.55 104.02 1tmy n ASP 100 Ca -0.00 -1.85 -0.08 0.00 0.52 0.00 0.00 54.79 53.38 1tmy n ASP 100 Cb 0.84 2.70 -0.09 0.00 -0.72 0.00 0.00 41.12 43.85 1tmy n ASP 100 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1tmy s PHE 101 N -2.20 0.36 0.02 -0.67 -0.71 -1.26 -1.86 117.98 111.67 1tmy s PHE 101 Ca 0.23 -0.82 0.06 0.00 -1.04 0.00 0.00 56.93 55.35 1tmy s PHE 101 Cb -0.03 -0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 41.51 1tmy s PHE 101 CO 0.05 -0.41 -0.17 0.42 -1.34 0.00 0.00 175.22 173.77 1tmy s ILE 102 N -3.56 1.34 -0.11 -4.49 -1.09 -0.35 -4.95 121.20 107.99 1tmy s ILE 102 Ca 0.03 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.52 1tmy s ILE 102 Cb 0.05 -1.16 -0.01 0.00 -1.58 0.00 0.00 42.46 39.76 1tmy s ILE 102 CO -0.09 0.19 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.93 1tmy s VAL 103 N -0.68 2.54 0.62 2.92 1.01 -1.26 -2.52 120.40 123.03 1tmy s VAL 103 Ca 0.05 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1tmy s VAL 103 Cb -0.08 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1tmy s VAL 103 CO 0.01 0.54 0.99 -0.54 0.00 0.00 0.00 175.10 176.10 1tmy s LYS 104 N 0.30 3.22 0.19 2.72 1.02 0.39 -3.86 119.74 123.73 1tmy s LYS 104 Ca -0.14 0.41 -0.33 0.00 0.02 0.00 0.00 55.97 55.93 1tmy s LYS 104 Cb -0.17 -2.15 -0.14 0.00 -0.52 0.00 0.00 37.83 34.85 1tmy s LYS 104 CO 0.07 -0.68 1.47 -0.35 -0.92 0.00 0.00 175.35 174.93 1tmy n PRO 105 N -2.72 1.97 -1.97 -1.68 -0.04 -1.26 -3.89 135.00 125.41 1tmy n PRO 105 Ca 0.05 0.71 -0.39 0.00 -0.04 0.00 0.00 63.50 63.83 1tmy n PRO 105 Cb 0.56 -2.41 0.01 0.00 -0.04 0.00 0.00 33.50 31.63 1tmy n PRO 105 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1tmy s PHE 106 N 0.41 2.60 -0.37 0.54 0.08 -1.25 -4.98 117.98 115.01 1tmy s PHE 106 Ca 0.74 1.40 -0.05 0.00 0.12 0.00 0.00 56.93 59.14 1tmy s PHE 106 Cb -0.70 -3.69 0.07 0.00 -0.57 0.00 0.00 43.02 38.14 1tmy s PHE 106 CO 0.44 -2.36 0.15 -0.65 -0.10 0.00 0.00 175.22 172.71 1tmy s GLN 107 N -2.59 2.43 0.21 0.44 -0.21 -1.26 -5.01 119.66 113.67 1tmy s GLN 107 Ca 0.64 -1.43 -0.01 0.00 0.02 0.00 0.00 55.36 54.58 1tmy s GLN 107 Cb -0.38 -3.52 0.47 0.00 1.00 0.00 0.00 33.01 30.58 1tmy s GLN 107 CO 0.47 -0.83 1.10 -2.30 -2.12 0.00 0.00 175.29 171.60 1tmy n PRO 108 N 4.75 -0.06 0.19 2.91 -0.02 -1.26 0.79 135.00 142.31 1tmy n PRO 108 Ca -0.09 1.06 0.06 0.00 -2.02 0.00 0.00 63.50 62.51 1tmy n PRO 108 Cb 0.43 -1.66 0.35 0.00 -0.02 0.00 0.00 33.50 32.60 1tmy n PRO 108 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1tmy h SER 109 N 0.00 0.00 0.29 2.55 4.64 -1.99 -2.12 113.55 116.93 1tmy h SER 109 Ca 0.40 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.49 1tmy h SER 109 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1tmy h SER 109 CO -0.68 0.35 -0.96 0.03 -0.87 0.00 0.00 176.83 174.70 1tmy h ARG 110 N 0.00 0.45 0.29 4.77 3.08 -0.05 -0.86 114.38 122.06 1tmy h ARG 110 Ca -0.00 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 1tmy h ARG 110 Cb 0.88 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1tmy h ARG 110 CO 0.05 1.14 -0.14 0.28 -1.07 0.00 0.00 179.97 180.22 1tmy h VAL 111 N 0.25 0.73 -0.58 2.04 2.07 -1.00 -0.95 116.25 118.81 1tmy h VAL 111 Ca -0.09 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1tmy h VAL 111 Cb 1.60 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1tmy h VAL 111 CO 0.17 0.03 0.38 0.58 0.02 0.00 0.00 177.57 178.75 1tmy h VAL 112 N -0.45 1.13 -0.16 2.57 2.07 -1.39 0.63 116.25 120.65 1tmy h VAL 112 Ca -0.04 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1tmy h VAL 112 Cb 0.34 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1tmy h VAL 112 CO 0.07 0.14 -0.13 -0.08 0.02 0.00 0.00 177.57 177.58 1tmy h GLU 113 N 0.76 0.25 0.04 1.57 4.81 -0.71 0.14 114.58 121.44 1tmy h GLU 113 Ca 0.22 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1tmy h GLU 113 Cb -0.06 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1tmy h GLU 113 CO -0.05 0.39 -0.02 0.00 -0.73 0.00 0.00 179.01 178.60 1tmy h ALA 114 N 1.63 -0.06 -0.98 2.92 0.00 0.14 -0.91 119.26 122.02 1tmy h ALA 114 Ca 0.05 -0.32 0.13 0.00 0.00 0.00 0.00 54.91 54.77 1tmy h ALA 114 Cb 0.38 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1tmy h ALA 114 CO 0.02 -0.18 0.62 -0.07 0.00 0.00 0.00 179.25 179.64 1tmy h LEU 115 N -0.77 0.85 0.21 0.00 4.07 -0.10 -2.18 115.31 117.39 1tmy h LEU 115 Ca -0.01 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1tmy h LEU 115 Cb 0.65 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1tmy h LEU 115 CO 0.01 0.44 -0.10 0.78 -1.08 0.00 0.00 178.44 178.48 1tmy h ASN 116 N 0.90 -0.24 -0.85 -0.43 2.35 -0.60 -3.16 115.58 113.55 1tmy h ASN 116 Ca 0.49 -0.19 0.12 0.00 -0.55 0.00 0.00 56.30 56.17 1tmy h ASN 116 Cb 0.57 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.93 1tmy h ASN 116 CO -0.26 0.07 0.47 0.11 -1.65 0.00 0.00 177.43 176.17 1tmy h LYS 117 N -0.57 0.73 0.00 0.81 1.57 -0.57 -2.20 116.57 116.34 1tmy h LYS 117 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1tmy h LYS 117 Cb 0.42 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1tmy h LYS 117 CO 0.05 0.48 0.00 -0.24 -0.57 0.00 0.00 179.45 179.17 1tmy h VAL 118 N 0.75 0.00 -0.01 0.50 3.04 -1.40 -3.52 116.25 115.61 1tmy h VAL 118 Ca 0.43 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.92 1tmy h VAL 118 Cb 0.48 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1tmy h VAL 118 CO -0.29 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.07