#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4tmy n LYS 3 N 0.00 0.00 -3.22 1.61 5.02 -1.26 -4.99 118.16 115.32 4tmy n LYS 3 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 4tmy n LYS 3 Cb 0.00 -0.08 -0.06 0.00 -0.02 0.00 0.00 35.03 34.88 4tmy n LYS 3 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 4tmy s ARG 4 N 0.00 4.34 0.03 1.97 0.52 -1.26 -1.16 118.95 123.39 4tmy s ARG 4 Ca 0.00 0.64 0.08 0.00 -0.52 0.00 0.00 55.73 55.93 4tmy s ARG 4 Cb 0.00 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 4tmy s ARG 4 CO 0.00 0.22 -0.24 0.08 0.02 0.00 0.00 175.30 175.38 4tmy s VAL 5 N 0.36 2.30 -0.29 3.52 1.01 0.90 0.00 120.40 128.20 4tmy s VAL 5 Ca 0.30 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 61.01 4tmy s VAL 5 Cb -0.17 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.37 4tmy s VAL 5 CO 0.14 0.40 -0.04 -0.22 0.00 0.00 0.00 175.10 175.39 4tmy s LEU 6 N -1.17 3.84 -0.25 3.92 2.96 -0.83 0.12 118.68 127.26 4tmy s LEU 6 Ca 0.12 -1.44 -0.18 0.00 -0.22 0.00 0.00 54.13 52.41 4tmy s LEU 6 Cb -0.10 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 4tmy s LEU 6 CO 0.02 -0.25 0.52 -0.63 -1.32 0.00 0.00 176.35 174.69 4tmy s ILE 7 N 1.15 5.07 -0.20 6.68 1.01 -0.73 -1.94 121.20 132.24 4tmy s ILE 7 Ca -0.05 0.90 -0.02 0.00 0.00 0.00 0.00 60.65 61.48 4tmy s ILE 7 Cb -0.20 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.44 4tmy s ILE 7 CO -0.04 0.09 -0.10 -0.69 0.00 0.00 0.00 174.94 174.20 4tmy s VAL 8 N 2.24 2.88 -0.29 2.92 1.01 -0.91 -0.83 120.40 127.43 4tmy s VAL 8 Ca 0.22 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 4tmy s VAL 8 Cb -0.16 -2.28 0.17 0.00 0.00 0.00 0.00 36.38 34.12 4tmy s VAL 8 CO 0.09 0.47 1.10 -0.62 0.00 0.00 0.00 175.10 176.14 4tmy s ASP 9 N 1.34 -0.33 0.00 3.32 -1.08 -0.99 -1.42 116.67 117.51 4tmy s ASP 9 Ca 0.04 0.53 0.17 0.00 -0.52 0.00 0.00 52.55 52.77 4tmy s ASP 9 Cb -0.14 1.07 0.99 0.00 -1.46 0.00 0.00 42.92 43.38 4tmy s ASP 9 CO -0.06 -0.08 1.56 -0.90 0.52 0.00 0.00 175.17 176.21 4tmy n ASP 10 N 3.30 0.00 -4.08 -0.34 5.75 -1.26 -4.52 116.55 115.39 4tmy n ASP 10 Ca -0.17 -1.28 -0.33 0.00 -0.01 0.00 0.00 54.79 53.00 4tmy n ASP 10 Cb 0.57 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.52 4tmy n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 4tmy s ALA 11 N -2.00 2.84 0.25 2.12 0.00 -1.26 -5.01 121.76 118.70 4tmy s ALA 11 Ca 0.25 -2.17 -0.11 0.00 0.00 0.00 0.00 51.96 49.93 4tmy s ALA 11 Cb 0.11 -1.94 0.36 0.00 0.00 0.00 0.00 23.12 21.65 4tmy s ALA 11 CO 0.19 -1.49 1.57 0.00 0.00 0.00 0.00 175.76 176.04 4tmy h ALA 12 N 7.81 0.49 -0.58 0.00 0.00 -2.00 0.41 119.26 125.40 4tmy h ALA 12 Ca -0.13 0.33 0.08 0.00 0.00 0.00 0.00 54.91 55.18 4tmy h ALA 12 Cb 1.04 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 4tmy h ALA 12 CO 0.54 -0.44 0.24 0.74 0.00 0.00 0.00 179.25 180.32 4tmy h PHE 13 N -0.01 0.42 -0.16 0.00 -1.00 -1.97 0.25 116.94 114.46 4tmy h PHE 13 Ca 0.41 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 61.14 4tmy h PHE 13 Cb 0.64 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 4tmy h PHE 13 CO -0.72 0.14 -0.25 1.98 -1.61 0.00 0.00 178.31 177.85 4tmy h MET 14 N 0.44 0.29 0.46 1.51 4.05 -0.65 -1.38 114.93 119.65 4tmy h MET 14 Ca 0.28 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 4tmy h MET 14 Cb 0.30 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 4tmy h MET 14 CO -0.26 0.53 -0.22 0.00 0.23 0.00 0.00 176.91 177.19 4tmy h ARG 15 N 0.27 -0.60 -0.67 0.39 3.08 -0.10 -2.14 114.38 114.62 4tmy h ARG 15 Ca 0.04 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.19 4tmy h ARG 15 Cb 0.59 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.69 4tmy h ARG 15 CO 0.04 -0.29 -0.40 -0.12 -1.07 0.00 0.00 179.97 178.14 4tmy n MET 16 N -5.24 -0.30 -0.06 0.04 1.56 0.77 0.11 117.12 114.00 4tmy n MET 16 Ca -0.10 1.26 -0.13 0.00 -0.27 0.00 0.00 57.70 58.45 4tmy n MET 16 Cb 0.30 -1.86 -0.08 0.00 2.15 0.00 0.00 33.22 33.73 4tmy n MET 16 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 4tmy h MET 17 N 0.00 -0.45 -0.45 2.12 2.86 -1.31 -0.64 114.93 117.05 4tmy h MET 17 Ca 0.11 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 4tmy h MET 17 Cb 0.28 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 4tmy h MET 17 CO -0.63 -0.30 0.29 1.25 1.06 0.00 0.00 176.91 178.57 4tmy h LEU 18 N -0.47 0.48 -1.69 1.22 5.85 -0.23 -1.40 115.31 119.08 4tmy h LEU 18 Ca 0.07 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.95 4tmy h LEU 18 Cb 0.63 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 4tmy h LEU 18 CO -0.50 0.35 0.51 0.50 -0.34 0.00 0.00 178.44 178.95 4tmy h LYS 19 N 0.58 0.29 -0.00 1.25 3.64 0.13 -0.71 116.57 121.75 4tmy h LYS 19 Ca 0.17 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.31 4tmy h LYS 19 Cb -0.04 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 4tmy h LYS 19 CO -0.05 0.19 -0.94 0.22 -2.27 0.00 0.00 179.45 176.60 4tmy h ASP 20 N 0.30 0.52 0.24 4.20 3.58 -0.07 -2.72 116.42 122.47 4tmy h ASP 20 Ca 0.37 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 4tmy h ASP 20 Cb 1.00 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.89 4tmy h ASP 20 CO -0.10 1.22 -0.12 0.40 -2.88 0.00 0.00 179.24 177.76 4tmy h ILE 21 N 0.23 0.68 -0.06 2.25 2.04 -0.47 -1.97 117.51 120.20 4tmy h ILE 21 Ca -0.08 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 64.92 4tmy h ILE 21 Cb 1.57 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 4tmy h ILE 21 CO 0.16 0.16 -0.43 0.40 0.00 0.00 0.00 178.15 178.44 4tmy h ILE 22 N -0.87 0.13 -0.08 -0.67 2.04 -1.41 -1.78 117.51 114.86 4tmy h ILE 22 Ca -0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 4tmy h ILE 22 Cb 0.51 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 4tmy h ILE 22 CO 0.05 0.00 -0.22 0.74 0.00 0.00 0.00 178.15 178.72 4tmy h THR 23 N -0.55 0.47 0.00 -0.27 2.02 -1.57 0.16 112.91 113.18 4tmy h THR 23 Ca 0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 4tmy h THR 23 Cb 0.65 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 4tmy h THR 23 CO -0.36 0.00 -0.00 0.11 0.37 0.00 0.00 175.52 175.64 4tmy h LYS 24 N -0.31 0.00 -0.01 6.66 6.56 -1.13 -1.27 116.57 127.07 4tmy h LYS 24 Ca 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 4tmy h LYS 24 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 4tmy h LYS 24 CO -0.26 0.00 -0.05 0.00 -2.06 0.00 0.00 179.45 177.09 4tmy n ALA 25 N -2.09 2.69 0.00 3.86 0.00 -0.02 -4.90 120.51 120.05 4tmy n ALA 25 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 4tmy n ALA 25 Cb 0.17 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.33 4tmy n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4tmy n GLY 26 N 1.17 2.31 3.75 0.00 0.00 -0.48 -5.07 105.19 106.87 4tmy n GLY 26 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 4tmy n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4tmy s TYR 27 N -2.17 2.50 -0.11 1.61 1.51 -0.79 -4.96 117.35 114.94 4tmy s TYR 27 Ca 0.00 1.17 -0.02 0.00 -1.01 0.00 0.00 57.07 57.21 4tmy s TYR 27 Cb 0.00 -3.17 -0.03 0.00 -0.11 0.00 0.00 41.96 38.65 4tmy s TYR 27 CO 0.00 -2.20 -0.03 -1.21 -1.11 0.00 0.00 175.55 171.00 4tmy s GLU 28 N -5.04 3.25 -1.09 -0.62 2.02 -0.31 -4.05 118.70 112.85 4tmy s GLU 28 Ca 0.63 -0.48 -0.18 0.00 0.02 0.00 0.00 54.97 54.95 4tmy s GLU 28 Cb -0.16 -2.81 0.12 0.00 0.10 0.00 0.00 34.13 31.37 4tmy s GLU 28 CO 0.56 0.49 1.38 0.08 0.02 0.00 0.00 175.26 177.79 4tmy s VAL 29 N -0.31 4.55 0.39 2.63 1.01 -1.26 -0.07 120.40 127.34 4tmy s VAL 29 Ca 0.05 -1.78 0.14 0.00 0.00 0.00 0.00 61.98 60.40 4tmy s VAL 29 Cb -0.12 -4.95 0.36 0.00 0.00 0.00 0.00 36.38 31.67 4tmy s VAL 29 CO 0.02 -1.72 1.85 0.00 0.00 0.00 0.00 175.10 175.26 4tmy h ALA 30 N 8.33 2.07 -1.88 5.51 0.00 0.64 -3.46 119.26 130.47 4tmy h ALA 30 Ca 0.26 0.02 0.37 0.00 0.00 0.00 0.00 54.91 55.57 4tmy h ALA 30 Cb 0.95 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 4tmy h ALA 30 CO 1.27 -0.35 0.94 0.20 0.00 0.00 0.00 179.25 181.31 4tmy s GLY 31 N -3.79 -0.23 0.01 0.00 0.00 -0.79 -4.98 107.32 97.54 4tmy s GLY 31 Ca -0.09 0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.92 4tmy s GLY 31 CO 0.79 4.75 -0.09 -0.54 0.00 0.00 0.00 173.10 178.00 4tmy s GLU 32 N -2.06 0.66 0.03 2.90 2.02 -1.26 -1.78 118.70 119.20 4tmy s GLU 32 Ca 0.27 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 54.86 4tmy s GLU 32 Cb 0.01 -0.60 -0.02 0.00 0.10 0.00 0.00 34.13 33.62 4tmy s GLU 32 CO -0.02 0.16 -0.15 0.00 0.02 0.00 0.00 175.26 175.26 4tmy s ALA 33 N -0.52 1.26 -1.36 5.21 0.00 -0.01 -4.93 121.76 121.40 4tmy s ALA 33 Ca 0.00 -0.81 0.14 0.00 0.00 0.00 0.00 51.96 51.29 4tmy s ALA 33 Cb -0.05 -0.23 0.31 0.00 0.00 0.00 0.00 23.12 23.15 4tmy s ALA 33 CO 0.00 0.26 1.21 0.25 0.00 0.00 0.00 175.76 177.49 4tmy n THR 34 N 2.08 0.70 -3.81 0.00 -2.24 -1.26 -2.34 114.28 107.42 4tmy n THR 34 Ca -0.17 -0.85 0.02 0.00 -2.27 0.00 0.00 64.05 60.78 4tmy n THR 34 Cb 0.55 0.74 0.01 0.00 -2.10 0.00 0.00 70.33 69.52 4tmy n THR 34 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 4tmy s ASN 35 N -1.06 -0.02 0.14 3.42 2.20 -1.26 -4.24 114.94 114.12 4tmy s ASN 35 Ca 0.26 -0.18 -0.26 0.00 -0.94 0.00 0.00 52.86 51.74 4tmy s ASN 35 Cb 0.14 0.16 -0.02 0.00 -2.00 0.00 0.00 41.25 39.53 4tmy s ASN 35 CO 0.19 -0.30 1.61 1.23 -2.94 0.00 0.00 177.10 176.89 4tmy h GLY 36 N 2.00 -0.43 0.50 0.45 0.00 -1.16 0.67 103.07 105.10 4tmy h GLY 36 Ca -0.26 0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.46 4tmy h GLY 36 CO 0.30 -0.22 -0.37 -0.09 0.00 0.00 0.00 176.54 176.16 4tmy h ARG 37 N -0.39 -0.67 -0.76 4.80 9.65 -1.90 -0.24 114.38 124.87 4tmy h ARG 37 Ca 0.10 0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.09 4tmy h ARG 37 Cb 0.54 0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 29.21 4tmy h ARG 37 CO -0.35 -0.45 0.44 1.49 2.80 0.00 0.00 179.97 183.90 4tmy h GLU 38 N -0.69 0.76 -0.68 0.20 4.81 -1.95 0.13 114.58 117.16 4tmy h GLU 38 Ca -0.00 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.28 4tmy h GLU 38 Cb 0.66 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 4tmy h GLU 38 CO -0.13 0.50 0.31 0.00 -0.73 0.00 0.00 179.01 178.96 4tmy h ALA 39 N 1.40 0.92 -0.24 2.92 0.00 0.24 0.12 119.26 124.62 4tmy h ALA 39 Ca 0.35 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 4tmy h ALA 39 Cb 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 4tmy h ALA 39 CO -0.21 -0.10 -0.32 0.28 0.00 0.00 0.00 179.25 178.90 4tmy h VAL 40 N 0.53 1.32 0.11 0.00 2.07 0.89 -0.76 116.25 120.39 4tmy h VAL 40 Ca 0.34 -1.52 0.01 0.00 0.82 0.00 0.00 66.70 66.35 4tmy h VAL 40 Cb 0.38 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 4tmy h VAL 40 CO -0.29 0.48 -0.12 -0.33 0.02 0.00 0.00 177.57 177.33 4tmy h GLU 41 N 0.35 -0.24 -0.43 1.57 5.08 -0.64 -1.63 114.58 118.63 4tmy h GLU 41 Ca 0.03 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 4tmy h GLU 41 Cb 0.90 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 4tmy h GLU 41 CO 0.08 -0.16 0.27 0.87 -1.00 0.00 0.00 179.01 179.06 4tmy h LYS 42 N -0.25 0.57 -0.51 2.33 1.79 -0.80 -1.85 116.57 117.85 4tmy h LYS 42 Ca 0.01 -0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.54 4tmy h LYS 42 Cb 0.25 -0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 30.68 4tmy h LYS 42 CO -0.04 0.40 -0.15 -0.92 -1.08 0.00 0.00 179.45 177.66 4tmy h TYR 43 N 0.57 -0.33 -0.83 -1.35 3.20 -0.77 0.40 116.97 117.86 4tmy h TYR 43 Ca 0.15 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 4tmy h TYR 43 Cb -0.03 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 4tmy h TYR 43 CO -0.04 -0.24 0.44 0.87 -1.64 0.00 0.00 178.16 177.55 4tmy h LYS 44 N -0.02 1.18 -0.17 1.82 1.57 -0.91 -0.78 116.57 119.25 4tmy h LYS 44 Ca 0.25 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 4tmy h LYS 44 Cb 0.40 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.49 4tmy h LYS 44 CO -0.54 0.88 -0.42 1.05 -0.57 0.00 0.00 179.45 179.84 4tmy h GLU 45 N 1.17 0.59 0.00 3.15 4.11 -0.45 -3.37 114.58 119.78 4tmy h GLU 45 Ca 0.29 -0.40 0.00 0.00 0.07 0.00 0.00 59.36 59.32 4tmy h GLU 45 Cb 0.06 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.37 4tmy h GLU 45 CO -0.04 1.02 -1.43 1.28 0.07 0.00 0.00 179.01 179.91 4tmy n LEU 46 N -4.25 0.47 -3.85 3.06 4.77 0.13 -5.00 117.00 112.33 4tmy n LEU 46 Ca -0.06 0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 4tmy n LEU 46 Cb 0.55 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 4tmy n LEU 46 CO 0.46 -0.09 -0.15 0.29 -1.33 0.00 0.00 177.39 176.57 4tmy n LYS 47 N -2.43 -1.60 -0.63 3.23 5.02 -0.30 -4.87 118.16 116.58 4tmy n LYS 47 Ca -0.02 0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 56.34 4tmy n LYS 47 Cb 0.55 -3.92 0.21 0.00 -0.02 0.00 0.00 35.03 31.85 4tmy n LYS 47 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 4tmy s PRO 48 N -6.46 -0.06 -0.11 1.97 0.04 -1.26 -4.94 135.00 124.18 4tmy s PRO 48 Ca 0.33 1.14 -0.09 0.00 0.04 0.00 0.00 61.00 62.42 4tmy s PRO 48 Cb -0.14 -1.63 -0.27 0.00 0.04 0.00 0.00 34.50 32.51 4tmy s PRO 48 CO 0.89 -3.24 0.43 -0.44 0.04 0.00 0.00 177.00 174.69 4tmy h ASP 49 N -2.29 0.43 -3.68 6.66 3.32 -0.76 -3.48 116.42 116.62 4tmy h ASP 49 Ca -0.54 -0.91 -0.45 0.00 0.02 0.00 0.00 57.03 55.15 4tmy h ASP 49 Cb 1.30 -0.14 -0.17 0.00 0.22 0.00 0.00 39.33 40.55 4tmy h ASP 49 CO 0.47 1.80 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.40 4tmy s ILE 50 N -2.54 1.56 -0.01 0.35 1.01 -0.56 -4.11 121.20 116.90 4tmy s ILE 50 Ca -0.21 -1.93 0.02 0.00 0.00 0.00 0.00 60.65 58.52 4tmy s ILE 50 Cb 0.06 -1.78 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 4tmy s ILE 50 CO 0.77 -0.46 -0.06 -0.69 0.00 0.00 0.00 174.94 174.50 4tmy s VAL 51 N -2.43 0.50 -0.08 2.92 1.01 0.55 -1.97 120.40 120.90 4tmy s VAL 51 Ca 0.15 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.89 4tmy s VAL 51 Cb -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 4tmy s VAL 51 CO 0.05 0.15 -0.11 0.42 0.00 0.00 0.00 175.10 175.61 4tmy s THR 52 N -0.02 3.30 -0.12 3.92 -4.23 -0.82 -0.36 115.64 117.32 4tmy s THR 52 Ca 0.01 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 4tmy s THR 52 Cb -0.04 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.48 4tmy s THR 52 CO -0.00 0.57 -0.11 -0.32 -0.54 0.00 0.00 174.62 174.21 4tmy s MET 53 N -0.37 1.87 0.27 3.99 1.75 0.34 -2.13 119.30 125.02 4tmy s MET 53 Ca 0.04 -0.40 -0.29 0.00 -1.25 0.00 0.00 55.69 53.79 4tmy s MET 53 Cb -0.12 -1.75 -0.09 0.00 2.84 0.00 0.00 34.83 35.70 4tmy s MET 53 CO 0.02 -0.19 1.04 0.34 -0.65 0.00 0.00 175.02 175.59 4tmy s ASP 54 N 1.40 7.36 -0.05 1.11 2.15 -0.51 0.91 116.67 129.04 4tmy s ASP 54 Ca 0.01 2.15 -0.01 0.00 0.43 0.00 0.00 52.55 55.13 4tmy s ASP 54 Cb -0.13 -2.62 -0.00 0.00 -0.30 0.00 0.00 42.92 39.87 4tmy s ASP 54 CO -0.06 -0.07 -0.01 0.40 -0.17 0.00 0.00 175.17 175.26 4tmy h ILE 55 N 3.06 0.00 -2.37 4.11 2.04 -1.91 -3.29 117.51 119.16 4tmy h ILE 55 Ca -0.46 -0.44 -0.53 0.00 1.00 0.00 0.00 64.86 64.43 4tmy h ILE 55 Cb 1.21 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 4tmy h ILE 55 CO 0.67 0.00 1.17 -0.89 0.00 0.00 0.00 178.15 179.10 4tmy s THR 56 N -1.29 3.62 0.17 -0.27 2.01 -1.26 -0.25 115.64 118.36 4tmy s THR 56 Ca -0.01 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 4tmy s THR 56 Cb 0.00 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 4tmy s THR 56 CO 0.02 -1.33 0.09 -0.04 -0.69 0.00 0.00 174.62 172.66 4tmy s MET 57 N 6.09 1.08 0.63 4.92 -1.94 -1.26 -4.79 119.30 124.03 4tmy s MET 57 Ca 0.51 -1.55 -0.12 0.00 -1.71 0.00 0.00 55.69 52.82 4tmy s MET 57 Cb -0.10 0.22 -0.03 0.00 2.01 0.00 0.00 34.83 36.92 4tmy s MET 57 CO 0.20 -0.32 1.03 -2.14 -0.01 0.00 0.00 175.02 173.78 4tmy s PRO 58 N -4.10 3.43 0.00 2.03 0.02 -1.26 -4.19 135.00 130.94 4tmy s PRO 58 Ca 0.32 0.86 0.00 0.00 0.02 0.00 0.00 61.00 62.20 4tmy s PRO 58 Cb 0.07 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.53 4tmy s PRO 58 CO 0.07 -0.70 0.00 0.39 -0.33 0.00 0.00 177.00 176.43 4tmy n GLU 59 N -2.68 0.00 -3.69 5.54 1.02 -1.26 -4.32 120.64 115.26 4tmy n GLU 59 Ca 0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 4tmy n GLU 59 Cb 0.54 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.84 4tmy n GLU 59 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 4tmy s MET 60 N 0.00 0.24 0.90 3.49 1.75 -1.26 -4.99 119.30 119.43 4tmy s MET 60 Ca 0.00 0.75 -0.14 0.00 -1.25 0.00 0.00 55.69 55.05 4tmy s MET 60 Cb 0.00 0.01 0.14 0.00 2.84 0.00 0.00 34.83 37.82 4tmy s MET 60 CO 0.00 -0.22 1.21 0.54 -0.65 0.00 0.00 175.02 175.90 4tmy s ASN 61 N 1.96 3.64 0.12 1.11 2.20 -1.26 -0.80 114.94 121.91 4tmy s ASN 61 Ca -0.04 0.65 -0.15 0.00 -0.94 0.00 0.00 52.86 52.38 4tmy s ASN 61 Cb -0.11 -1.01 -0.04 0.00 -2.00 0.00 0.00 41.25 38.10 4tmy s ASN 61 CO -0.10 -2.44 1.53 1.23 -2.94 0.00 0.00 177.10 174.38 4tmy h GLY 62 N -1.43 0.77 0.35 0.45 0.00 -0.69 -2.34 103.07 100.19 4tmy h GLY 62 Ca -0.46 -0.63 0.08 0.00 0.00 0.00 0.00 47.33 46.32 4tmy h GLY 62 CO 0.55 0.57 0.10 -2.22 0.00 0.00 0.00 176.54 175.54 4tmy h ILE 63 N 0.52 0.72 -0.32 2.60 1.08 -1.86 0.33 117.51 120.58 4tmy h ILE 63 Ca 0.10 -0.08 -0.05 0.00 -0.39 0.00 0.00 64.86 64.43 4tmy h ILE 63 Cb 0.58 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 4tmy h ILE 63 CO 0.03 0.04 -0.01 0.44 -0.69 0.00 0.00 178.15 177.97 4tmy h ASP 64 N 0.24 0.56 -0.88 1.72 3.32 -1.95 -2.20 116.42 117.23 4tmy h ASP 64 Ca 0.25 -0.32 0.08 0.00 0.02 0.00 0.00 57.03 57.06 4tmy h ASP 64 Cb 0.34 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 4tmy h ASP 64 CO -0.33 0.74 0.53 0.00 -1.72 0.00 0.00 179.24 178.47 4tmy h ALA 65 N 0.84 1.24 -0.09 3.45 0.00 -0.76 0.11 119.26 124.04 4tmy h ALA 65 Ca 0.09 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 4tmy h ALA 65 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 4tmy h ALA 65 CO 0.02 0.22 -0.02 0.82 0.00 0.00 0.00 179.25 180.29 4tmy h ILE 66 N 0.93 0.91 -0.56 0.00 2.04 -0.20 0.18 117.51 120.81 4tmy h ILE 66 Ca 0.40 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.36 4tmy h ILE 66 Cb 0.27 0.91 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 4tmy h ILE 66 CO -0.21 0.00 0.11 0.11 0.00 0.00 0.00 178.15 178.16 4tmy h LYS 67 N -0.00 0.23 -0.33 2.37 1.57 -0.69 -0.22 116.57 119.50 4tmy h LYS 67 Ca 0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 4tmy h LYS 67 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 4tmy h LYS 67 CO -0.09 0.16 0.09 0.93 -0.57 0.00 0.00 179.45 179.96 4tmy h GLU 68 N 0.24 0.52 -0.62 3.15 4.39 -0.09 -2.54 114.58 119.62 4tmy h GLU 68 Ca 0.29 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 4tmy h GLU 68 Cb 0.42 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 4tmy h GLU 68 CO -0.38 0.57 0.15 0.82 -1.16 0.00 0.00 179.01 179.02 4tmy h ILE 69 N 0.37 1.24 -0.56 3.13 2.04 -0.27 -2.27 117.51 121.20 4tmy h ILE 69 Ca 0.10 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 4tmy h ILE 69 Cb 0.28 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 4tmy h ILE 69 CO -0.00 0.34 0.34 0.24 0.00 0.00 0.00 178.15 179.07 4tmy h MET 70 N 0.93 0.75 -0.84 2.37 2.86 -0.90 1.36 114.93 121.45 4tmy h MET 70 Ca 0.20 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.85 4tmy h MET 70 Cb 0.33 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 4tmy h MET 70 CO -0.00 0.53 0.55 -0.22 1.06 0.00 0.00 176.91 178.83 4tmy h LYS 71 N 0.75 0.86 0.09 1.72 3.64 -1.14 -1.58 116.57 120.91 4tmy h LYS 71 Ca 0.20 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.35 4tmy h LYS 71 Cb -0.03 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 31.61 4tmy h LYS 71 CO -0.04 0.57 -0.76 0.82 -2.27 0.00 0.00 179.45 177.77 4tmy h ILE 72 N 0.89 1.47 -2.79 2.00 2.04 -0.61 -3.43 117.51 117.08 4tmy h ILE 72 Ca 0.37 -2.36 -0.54 0.00 1.00 0.00 0.00 64.86 63.33 4tmy h ILE 72 Cb 0.29 2.95 -0.40 0.00 -0.74 0.00 0.00 36.82 38.92 4tmy h ILE 72 CO -0.14 0.68 -0.79 -0.62 0.00 0.00 0.00 178.15 177.28 4tmy s ASP 73 N -6.92 3.49 0.00 1.72 -1.08 0.45 -4.99 116.67 109.35 4tmy s ASP 73 Ca -0.13 -1.48 0.18 0.00 -0.52 0.00 0.00 52.55 50.59 4tmy s ASP 73 Cb 0.02 -0.41 0.98 0.00 -1.46 0.00 0.00 42.92 42.05 4tmy s ASP 73 CO 0.83 -0.41 1.48 -2.65 0.52 0.00 0.00 175.17 174.94 4tmy n PRO 74 N 5.00 0.42 -0.15 4.34 -0.02 -0.67 -1.21 135.00 142.71 4tmy n PRO 74 Ca -0.03 0.06 0.05 0.00 -2.02 0.00 0.00 63.50 61.56 4tmy n PRO 74 Cb 0.41 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.51 4tmy n PRO 74 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 4tmy n ASN 75 N -1.13 2.71 -4.65 2.55 3.02 -1.26 -5.05 115.26 111.45 4tmy n ASN 75 Ca 0.11 -2.42 -0.39 0.00 -0.03 0.00 0.00 54.58 51.85 4tmy n ASN 75 Cb 0.09 -0.26 0.04 0.00 -0.61 0.00 0.00 39.78 39.04 4tmy n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 4tmy n ALA 76 N -0.39 0.60 -3.61 5.41 0.00 -0.35 -4.98 120.51 117.19 4tmy n ALA 76 Ca 0.11 0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.29 4tmy n ALA 76 Cb 0.51 -2.17 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 4tmy n ALA 76 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 4tmy s LYS 77 N -2.52 2.26 -0.14 0.00 1.02 -1.26 -4.95 119.74 114.14 4tmy s LYS 77 Ca 0.70 -1.64 0.02 0.00 0.02 0.00 0.00 55.97 55.07 4tmy s LYS 77 Cb -0.46 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.26 4tmy s LYS 77 CO 0.51 -0.99 -0.22 0.42 -0.92 0.00 0.00 175.35 174.16 4tmy s ILE 78 N 1.25 2.06 -0.12 2.17 1.01 -1.26 -0.33 121.20 125.97 4tmy s ILE 78 Ca 0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 4tmy s ILE 78 Cb -0.23 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 4tmy s ILE 78 CO -0.02 0.55 -0.01 -0.63 0.00 0.00 0.00 174.94 174.83 4tmy s ILE 79 N 0.86 4.19 -0.10 2.92 1.01 0.52 -0.26 121.20 130.34 4tmy s ILE 79 Ca -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 4tmy s ILE 79 Cb -0.15 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 4tmy s ILE 79 CO -0.03 0.54 -0.02 0.54 0.00 0.00 0.00 174.94 175.98 4tmy s VAL 80 N -0.24 4.14 -0.19 2.92 0.11 0.33 0.13 120.40 127.58 4tmy s VAL 80 Ca 0.05 -0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 58.70 4tmy s VAL 80 Cb -0.12 -2.75 -0.05 0.00 -1.53 0.00 0.00 36.38 31.92 4tmy s VAL 80 CO 0.02 0.57 0.15 0.00 -3.33 0.00 0.00 175.10 172.51 4tmy s SER 82 N 0.31 0.24 1.09 0.00 1.04 -0.54 -3.47 113.70 112.38 4tmy s SER 82 Ca 0.09 -0.62 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 4tmy s SER 82 Cb -0.11 0.21 0.22 0.00 0.10 0.00 0.00 66.02 66.44 4tmy s SER 82 CO -0.01 -0.51 1.06 0.00 0.98 0.00 0.00 173.24 174.76 4tmy n ALA 83 N 0.73 -2.02 -2.11 5.32 0.00 -1.26 -0.32 120.51 120.85 4tmy n ALA 83 Ca -0.19 -1.45 -0.33 0.00 0.00 0.00 0.00 53.44 51.47 4tmy n ALA 83 Cb 0.59 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 4tmy n ALA 83 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 4tmy s MET 84 N -5.35 4.05 0.00 0.00 1.00 -1.26 -3.50 119.30 114.25 4tmy s MET 84 Ca 0.63 0.73 0.00 0.00 0.00 0.00 0.00 55.69 57.06 4tmy s MET 84 Cb -0.04 -2.47 0.00 0.00 0.00 0.00 0.00 34.83 32.33 4tmy s MET 84 CO 0.46 0.17 0.00 0.41 0.00 0.00 0.00 175.02 176.06 4tmy n GLY 85 N -0.25 2.39 1.34 -0.03 0.00 -1.26 -4.84 105.19 102.53 4tmy n GLY 85 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 4tmy n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 4tmy n GLN 86 N -2.00 1.16 -0.32 1.61 6.02 -1.23 -4.44 117.38 118.18 4tmy n GLN 86 Ca 0.00 -0.35 0.02 0.00 -0.01 0.00 0.00 57.00 56.66 4tmy n GLN 86 Cb 0.00 -1.14 0.19 0.00 1.02 0.00 0.00 30.24 30.32 4tmy n GLN 86 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 4tmy h GLN 87 N 0.55 1.12 0.00 -1.09 4.20 -1.88 -1.92 115.11 116.08 4tmy h GLN 87 Ca 0.07 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 4tmy h GLN 87 Cb 1.11 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 4tmy h GLN 87 CO 0.15 0.74 -0.39 0.00 -0.67 0.00 0.00 178.83 178.66 4tmy h ALA 88 N 1.46 1.28 0.00 3.87 0.00 -2.02 -2.82 119.26 121.04 4tmy h ALA 88 Ca 0.38 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 4tmy h ALA 88 Cb 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.78 4tmy h ALA 88 CO -0.12 0.49 -0.96 0.52 0.00 0.00 0.00 179.25 179.17 4tmy h MET 89 N 0.00 0.46 -0.99 0.00 2.86 -1.72 -3.17 114.93 112.37 4tmy h MET 89 Ca -0.00 -0.50 0.02 0.00 -2.06 0.00 0.00 59.70 57.16 4tmy h MET 89 Cb 0.72 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.48 4tmy h MET 89 CO 0.05 1.15 0.66 0.28 1.06 0.00 0.00 176.91 180.10 4tmy h VAL 90 N 0.26 1.23 -0.78 -2.22 2.07 -1.26 -1.12 116.25 114.44 4tmy h VAL 90 Ca -0.09 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 66.99 4tmy h VAL 90 Cb 1.60 -0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 4tmy h VAL 90 CO 0.17 0.24 0.51 0.40 0.02 0.00 0.00 177.57 178.92 4tmy h ILE 91 N 1.32 1.19 -0.02 4.57 2.04 -1.53 -0.07 117.51 125.01 4tmy h ILE 91 Ca 0.37 -0.36 -0.16 0.00 1.00 0.00 0.00 64.86 65.71 4tmy h ILE 91 Cb -0.11 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.01 4tmy h ILE 91 CO -0.09 0.19 -0.73 -0.33 0.00 0.00 0.00 178.15 177.19 4tmy h GLU 92 N 1.04 0.13 -0.02 2.37 4.39 -1.24 -1.71 114.58 119.53 4tmy h GLU 92 Ca 0.29 -0.11 -0.21 0.00 0.34 0.00 0.00 59.36 59.67 4tmy h GLU 92 Cb -0.10 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 4tmy h GLU 92 CO -0.06 0.80 -0.86 0.00 -1.16 0.00 0.00 179.01 177.72 4tmy h ALA 93 N 1.17 0.46 0.20 3.43 0.00 -0.54 -2.15 119.26 121.83 4tmy h ALA 93 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 4tmy h ALA 93 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 4tmy h ALA 93 CO 0.10 0.81 -0.10 0.82 0.00 0.00 0.00 179.25 180.89 4tmy h ILE 94 N 0.23 0.89 -1.04 0.00 2.04 -0.94 -1.63 117.51 117.06 4tmy h ILE 94 Ca -0.06 -0.77 0.27 0.00 1.00 0.00 0.00 64.86 65.31 4tmy h ILE 94 Cb 1.48 1.32 -0.12 0.00 -0.74 0.00 0.00 36.82 38.76 4tmy h ILE 94 CO 0.15 0.16 0.64 0.11 0.00 0.00 0.00 178.15 179.21 4tmy h LYS 95 N -0.67 0.45 0.00 2.37 1.57 -1.37 0.17 116.57 119.08 4tmy h LYS 95 Ca -0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 4tmy h LYS 95 Cb 0.48 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 4tmy h LYS 95 CO 0.05 0.30 -0.01 0.00 -0.57 0.00 0.00 179.45 179.21 4tmy h ALA 96 N 1.69 1.00 0.00 3.86 0.00 -1.19 -3.47 119.26 121.15 4tmy h ALA 96 Ca 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.55 4tmy h ALA 96 Cb 1.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 4tmy h ALA 96 CO -0.42 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.25 4tmy n GLY 97 N 0.56 1.64 2.84 0.00 0.00 0.58 -4.52 105.19 106.29 4tmy n GLY 97 Ca 0.02 -0.10 -0.47 0.00 0.00 0.00 0.00 46.02 45.47 4tmy n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4tmy n ALA 98 N 0.00 -3.01 0.08 4.61 0.00 -0.67 -4.88 120.51 116.64 4tmy n ALA 98 Ca 0.00 0.47 -0.06 0.00 0.00 0.00 0.00 53.44 53.86 4tmy n ALA 98 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 4tmy n ALA 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 4tmy h LYS 99 N 2.26 0.03 0.00 0.00 1.79 -0.95 -3.41 116.57 116.29 4tmy h LYS 99 Ca -0.39 -0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.15 4tmy h LYS 99 Cb 1.17 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 4tmy h LYS 99 CO 0.52 0.90 0.45 -3.47 -1.08 0.00 0.00 179.45 176.77 4tmy n ASP 100 N -3.51 -1.57 -4.15 0.86 -0.08 -1.23 -5.05 116.55 101.82 4tmy n ASP 100 Ca -0.01 -1.89 -0.11 0.00 -1.51 0.00 0.00 54.79 51.28 4tmy n ASP 100 Cb 0.84 2.57 -0.10 0.00 2.34 0.00 0.00 41.12 46.78 4tmy n ASP 100 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 4tmy s PHE 101 N -2.78 0.92 -0.01 -0.67 -0.71 -1.26 -0.52 117.98 112.95 4tmy s PHE 101 Ca 0.18 -1.24 -0.02 0.00 -1.04 0.00 0.00 56.93 54.82 4tmy s PHE 101 Cb -0.03 -0.45 0.00 0.00 -1.21 0.00 0.00 43.02 41.33 4tmy s PHE 101 CO 0.06 -0.60 0.04 0.96 -1.34 0.00 0.00 175.22 174.34 4tmy s ILE 102 N -4.08 0.02 0.39 -4.49 -4.36 0.48 -4.87 121.20 104.28 4tmy s ILE 102 Ca 0.29 -0.16 -0.08 0.00 -0.26 0.00 0.00 60.65 60.43 4tmy s ILE 102 Cb 0.07 -0.11 -0.06 0.00 1.25 0.00 0.00 42.46 43.61 4tmy s ILE 102 CO 0.06 -0.09 0.72 -0.69 0.24 0.00 0.00 174.94 175.18 4tmy s VAL 103 N -0.26 4.86 -0.02 8.37 1.01 -1.26 -1.47 120.40 131.63 4tmy s VAL 103 Ca -0.03 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.40 4tmy s VAL 103 Cb -0.02 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 4tmy s VAL 103 CO -0.00 -0.52 -0.03 -0.54 0.00 0.00 0.00 175.10 174.01 4tmy s LYS 104 N -3.90 2.72 0.39 2.72 1.02 0.56 -3.58 119.74 119.67 4tmy s LYS 104 Ca 0.49 -0.62 -0.19 0.00 0.02 0.00 0.00 55.97 55.68 4tmy s LYS 104 Cb -0.10 -2.61 -0.10 0.00 -0.52 0.00 0.00 37.83 34.50 4tmy s LYS 104 CO 0.33 0.63 0.87 -1.25 -0.92 0.00 0.00 175.35 175.01 4tmy s PRO 105 N -1.32 4.13 0.89 -1.68 0.04 -1.26 -4.20 135.00 131.60 4tmy s PRO 105 Ca 0.17 0.94 -0.13 0.00 0.04 0.00 0.00 61.00 62.02 4tmy s PRO 105 Cb -0.11 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.18 4tmy s PRO 105 CO 0.07 0.03 0.52 1.19 0.04 0.00 0.00 177.00 178.85 4tmy n PHE 106 N -0.58 -1.02 -3.54 0.56 3.72 -1.24 -5.03 117.46 110.35 4tmy n PHE 106 Ca 0.06 0.28 -0.29 0.00 -0.05 0.00 0.00 57.45 57.44 4tmy n PHE 106 Cb 0.54 -1.84 -0.13 0.00 -0.94 0.00 0.00 39.48 37.11 4tmy n PHE 106 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 4tmy s GLN 107 N -3.53 0.68 0.31 -1.08 -0.21 -1.26 -5.05 119.66 109.52 4tmy s GLN 107 Ca 0.60 -1.38 0.17 0.00 0.02 0.00 0.00 55.36 54.77 4tmy s GLN 107 Cb -0.25 -1.54 1.12 0.00 1.00 0.00 0.00 33.01 33.35 4tmy s GLN 107 CO 0.64 -1.17 1.35 -2.30 -2.12 0.00 0.00 175.29 171.68 4tmy n PRO 108 N 4.09 -0.05 0.08 2.91 -0.02 -1.26 0.23 135.00 140.98 4tmy n PRO 108 Ca 0.09 1.18 -0.12 0.00 -2.02 0.00 0.00 63.50 62.63 4tmy n PRO 108 Cb 0.37 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 4tmy n PRO 108 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 4tmy h SER 109 N 0.00 -0.18 -0.14 2.55 4.64 -1.99 0.93 113.55 119.36 4tmy h SER 109 Ca 0.71 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 62.04 4tmy h SER 109 Cb 1.87 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 64.02 4tmy h SER 109 CO -0.66 -0.11 0.02 0.03 -0.87 0.00 0.00 176.83 175.24 4tmy h ARG 110 N -0.15 0.22 -0.74 4.77 2.47 0.26 -1.47 114.38 119.74 4tmy h ARG 110 Ca 0.01 -0.06 0.12 0.00 -1.26 0.00 0.00 59.98 58.79 4tmy h ARG 110 Cb 0.15 -0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.36 4tmy h ARG 110 CO -0.02 0.40 0.32 0.28 0.56 0.00 0.00 179.97 181.51 4tmy h VAL 111 N 0.01 0.73 -0.07 2.04 2.07 -0.26 -1.86 116.25 118.91 4tmy h VAL 111 Ca 0.04 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 4tmy h VAL 111 Cb 0.29 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 4tmy h VAL 111 CO 0.00 0.09 -0.02 0.58 0.02 0.00 0.00 177.57 178.24 4tmy h VAL 112 N 0.51 1.31 -0.18 2.57 2.07 -0.47 -2.23 116.25 119.82 4tmy h VAL 112 Ca 0.39 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.98 4tmy h VAL 112 Cb 0.53 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.04 4tmy h VAL 112 CO -0.35 0.27 -0.47 -0.08 0.02 0.00 0.00 177.57 176.96 4tmy h GLU 113 N -0.22 -0.48 -0.34 1.57 4.81 -1.07 0.26 114.58 119.11 4tmy h GLU 113 Ca 0.02 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 4tmy h GLU 113 Cb 0.44 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 4tmy h GLU 113 CO 0.01 -0.32 -0.45 0.00 -0.73 0.00 0.00 179.01 177.52 4tmy h ALA 114 N 0.02 -0.53 -0.99 2.92 0.00 -1.37 0.36 119.26 119.68 4tmy h ALA 114 Ca 0.07 0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.20 4tmy h ALA 114 Cb 0.64 0.91 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 4tmy h ALA 114 CO -0.44 -0.91 0.59 -0.07 0.00 0.00 0.00 179.25 178.41 4tmy h LEU 115 N -0.38 0.76 -0.07 0.00 4.07 -0.70 -1.43 115.31 117.56 4tmy h LEU 115 Ca 0.11 0.09 -0.05 0.00 0.08 0.00 0.00 57.88 58.12 4tmy h LEU 115 Cb 0.60 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.30 4tmy h LEU 115 CO -0.54 0.28 -0.14 0.78 -1.08 0.00 0.00 178.44 177.74 4tmy h ASN 116 N 0.76 0.25 -0.78 -0.43 2.35 0.16 -2.99 115.58 114.90 4tmy h ASN 116 Ca 0.56 -0.56 0.13 0.00 -0.55 0.00 0.00 56.30 55.88 4tmy h ASN 116 Cb 0.84 -0.07 -0.09 0.00 0.05 0.00 0.00 38.32 39.05 4tmy h ASN 116 CO -0.37 0.76 0.38 0.11 -1.65 0.00 0.00 177.43 176.66 4tmy h LYS 117 N -0.25 0.57 0.00 0.81 1.57 -0.30 -0.22 116.57 118.75 4tmy h LYS 117 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 4tmy h LYS 117 Cb 0.72 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.90 4tmy h LYS 117 CO 0.03 0.38 0.00 0.28 -0.57 0.00 0.00 179.45 179.57 4tmy h VAL 118 N 0.59 0.00 -0.01 0.50 2.07 -1.13 -3.51 116.25 114.75 4tmy h VAL 118 Ca 0.41 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.89 4tmy h VAL 118 Cb 0.54 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 4tmy h VAL 118 CO -0.34 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.05