#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rld s ARG 2 N 0.00 4.42 0.24 1.61 0.52 -1.26 -5.23 118.95 119.26 2rld s ARG 2 Ca 0.00 0.98 -0.06 0.00 -0.52 0.00 0.00 55.73 56.13 2rld s ARG 2 Cb 0.00 -3.28 0.29 0.00 0.52 0.00 0.00 34.95 32.48 2rld s ARG 2 CO 0.00 0.52 1.88 0.93 0.02 0.00 0.00 175.30 178.65 2rld h GLU 3 N 4.76 1.07 -2.28 3.54 4.39 -2.06 -3.18 114.58 120.82 2rld h GLU 3 Ca -0.47 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.12 2rld h GLU 3 Cb 1.21 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 2rld h GLU 3 CO 0.66 0.71 0.05 -0.40 -1.16 0.00 0.00 179.01 178.88 2rld n ASP 4 N -4.54 2.34 0.00 1.42 5.68 -1.26 -4.38 116.55 115.81 2rld n ASP 4 Ca 0.12 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 2rld n ASP 4 Cb 0.11 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 2rld n ASP 4 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2rld n LYS 6 N 2.28 0.00 -0.14 0.11 5.02 -1.20 -4.64 118.16 119.59 2rld n LYS 6 Ca 0.10 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.29 2rld n LYS 6 Cb 0.31 -0.63 -0.01 0.00 -0.02 0.00 0.00 35.03 34.69 2rld n LYS 6 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2rld h ASP 7 N 0.00 0.67 -0.67 4.39 2.03 -1.92 -0.23 116.42 120.69 2rld h ASP 7 Ca 0.00 -0.28 0.02 0.00 -0.73 0.00 0.00 57.03 56.04 2rld h ASP 7 Cb 0.00 -0.18 -0.04 0.00 -0.83 0.00 0.00 39.33 38.28 2rld h ASP 7 CO 0.00 0.78 0.43 0.78 -1.03 0.00 0.00 179.24 180.20 2rld h ASN 8 N 0.54 0.73 -0.21 4.15 4.21 -1.94 -1.84 115.58 121.22 2rld h ASN 8 Ca 0.12 -0.01 -0.18 0.00 1.21 0.00 0.00 56.30 57.44 2rld h ASN 8 Cb 0.41 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 2rld h ASN 8 CO 0.01 0.52 -0.57 0.58 -1.29 0.00 0.00 177.43 176.68 2rld h VAL 9 N 0.87 1.30 -0.12 2.81 2.07 -1.92 -2.86 116.25 118.39 2rld h VAL 9 Ca 0.26 -1.79 -0.10 0.00 0.82 0.00 0.00 66.70 65.89 2rld h VAL 9 Cb -0.05 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2rld h VAL 9 CO -0.08 0.57 -0.35 1.62 0.02 0.00 0.00 177.57 179.35 2rld h VAL 10 N 0.48 1.28 -0.12 2.57 3.04 -0.93 0.18 116.25 122.75 2rld h VAL 10 Ca -0.01 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.30 2rld h VAL 10 Cb 1.19 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.05 2rld h VAL 10 CO 0.12 0.41 0.07 0.50 -1.01 0.00 0.00 177.57 177.67 2rld h LYS 11 N 0.21 0.14 -0.23 4.17 3.64 -1.32 -1.21 116.57 121.96 2rld h LYS 11 Ca 0.02 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2rld h LYS 11 Cb 0.73 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2rld h LYS 11 CO 0.06 0.09 -0.09 -0.44 -2.27 0.00 0.00 179.45 176.79 2rld h ASP 12 N 0.14 0.49 -0.46 4.20 3.32 -1.17 -2.83 116.42 120.12 2rld h ASP 12 Ca 0.04 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 2rld h ASP 12 Cb -0.01 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2rld h ASP 12 CO -0.02 0.77 0.15 0.11 -1.72 0.00 0.00 179.24 178.53 2rld h LYS 13 N 0.20 0.77 -0.19 3.56 1.79 -0.66 -2.27 116.57 119.77 2rld h LYS 13 Ca 0.05 -0.14 -0.12 0.00 -2.18 0.00 0.00 60.65 58.26 2rld h LYS 13 Cb 0.58 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2rld h LYS 13 CO 0.03 0.68 -0.41 0.66 -1.08 0.00 0.00 179.45 179.32 2rld h SER 14 N 0.75 0.46 0.06 0.86 4.64 -1.14 0.29 113.55 119.47 2rld h SER 14 Ca 0.17 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2rld h SER 14 Cb 0.24 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2rld h SER 14 CO -0.01 0.82 -0.03 0.25 -0.87 0.00 0.00 176.83 177.00 2rld h LEU 15 N 0.36 -0.07 -1.36 5.97 7.12 -1.28 -1.11 115.31 124.94 2rld h LEU 15 Ca 0.03 -0.25 0.08 0.00 0.13 0.00 0.00 57.88 57.86 2rld h LEU 15 Cb 0.88 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.98 2rld h LEU 15 CO 0.07 0.22 0.50 -0.33 -0.13 0.00 0.00 178.44 178.77 2rld h GLU 16 N -0.36 0.73 -0.40 1.25 4.39 -1.28 -1.93 114.58 116.99 2rld h GLU 16 Ca -0.01 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 2rld h GLU 16 Cb 0.32 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2rld h GLU 16 CO 0.01 0.49 -0.36 0.35 -1.16 0.00 0.00 179.01 178.34 2rld h PHE 17 N 0.76 1.12 -0.75 4.33 3.57 -0.87 -1.85 116.94 123.25 2rld h PHE 17 Ca 0.34 -0.33 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2rld h PHE 17 Cb 0.33 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 2rld h PHE 17 CO -0.00 1.16 0.50 0.00 -2.23 0.00 0.00 178.31 177.73 2rld h ALA 18 N 0.78 1.47 -0.13 2.41 0.00 -0.48 -0.97 119.26 122.34 2rld h ALA 18 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2rld h ALA 18 Cb 0.95 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2rld h ALA 18 CO 0.09 0.49 0.07 0.28 0.00 0.00 0.00 179.25 180.18 2rld h VAL 19 N 1.01 1.11 -0.95 0.00 2.07 -1.08 -0.94 116.25 117.47 2rld h VAL 19 Ca 0.28 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.56 2rld h VAL 19 Cb -0.11 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 2rld h VAL 19 CO -0.06 0.10 0.61 0.03 0.02 0.00 0.00 177.57 178.27 2rld h ARG 20 N 0.10 1.03 -0.31 1.57 3.08 -0.68 -1.47 114.38 117.69 2rld h ARG 20 Ca 0.05 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 2rld h ARG 20 Cb 0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2rld h ARG 20 CO -0.01 0.68 -0.25 0.82 -1.07 0.00 0.00 179.97 180.15 2rld h ILE 21 N 1.06 1.30 -0.56 2.04 1.08 -0.68 0.14 117.51 121.88 2rld h ILE 21 Ca 0.42 -1.40 0.05 0.00 -0.39 0.00 0.00 64.86 63.54 2rld h ILE 21 Cb 0.25 1.50 -0.05 0.00 -3.07 0.00 0.00 36.82 35.45 2rld h ILE 21 CO -0.17 0.45 0.30 0.58 -0.69 0.00 0.00 178.15 178.62 2rld h VAL 22 N 0.48 0.96 -0.35 1.67 2.07 -0.87 0.10 116.25 120.32 2rld h VAL 22 Ca 0.06 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2rld h VAL 22 Cb 0.81 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2rld h VAL 22 CO 0.07 0.10 -0.02 0.78 0.02 0.00 0.00 177.57 178.52 2rld h ASN 23 N 0.57 0.52 -0.38 0.57 2.35 -0.94 -0.66 115.58 117.61 2rld h ASN 23 Ca 0.25 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2rld h ASN 23 Cb 0.15 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2rld h ASN 23 CO -0.16 0.60 0.06 0.25 -1.65 0.00 0.00 177.43 176.53 2rld h LEU 24 N 0.53 0.60 -0.33 1.61 5.85 -0.11 -1.07 115.31 122.37 2rld h LEU 24 Ca 0.11 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2rld h LEU 24 Cb 0.37 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 2rld h LEU 24 CO 0.01 0.70 -0.08 0.22 -0.34 0.00 0.00 178.44 178.96 2rld h TYR 25 N 0.47 -0.17 -0.45 1.25 3.20 -0.33 0.24 116.97 121.18 2rld h TYR 25 Ca 0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2rld h TYR 25 Cb 0.36 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2rld h TYR 25 CO 0.02 -0.14 0.24 0.87 -1.64 0.00 0.00 178.16 177.52 2rld h LYS 26 N 0.01 0.63 -0.48 1.82 1.57 -0.89 -1.04 116.57 118.19 2rld h LYS 26 Ca 0.16 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 2rld h LYS 26 Cb 0.24 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 2rld h LYS 26 CO -0.34 0.51 0.17 0.35 -0.57 0.00 0.00 179.45 179.57 2rld h PHE 27 N 0.59 0.29 -0.31 -1.35 3.57 -0.82 -0.68 116.94 118.23 2rld h PHE 27 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2rld h PHE 27 Cb 0.07 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2rld h PHE 27 CO -0.02 0.09 0.09 -0.07 -2.23 0.00 0.00 178.31 176.17 2rld h LEU 28 N 0.34 0.47 -0.01 0.59 3.38 -0.33 0.28 115.31 120.02 2rld h LEU 28 Ca 0.23 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2rld h LEU 28 Cb 0.24 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2rld h LEU 28 CO -0.24 0.56 -0.29 0.58 0.09 0.00 0.00 178.44 179.14 2rld h VAL 29 N 0.35 1.51 0.07 1.22 2.07 -1.14 0.87 116.25 121.19 2rld h VAL 29 Ca 0.10 -1.90 -0.24 0.00 0.82 0.00 0.00 66.70 65.48 2rld h VAL 29 Cb 0.27 2.65 0.02 0.00 -1.52 0.00 0.00 31.29 32.72 2rld h VAL 29 CO -0.00 0.53 -1.00 0.78 0.02 0.00 0.00 177.57 177.90 2rld h ASN 30 N -0.40 0.75 0.00 0.57 2.35 -1.16 -3.07 115.58 114.63 2rld h ASN 30 Ca -0.03 -0.81 -0.38 0.00 -0.55 0.00 0.00 56.30 54.53 2rld h ASN 30 Cb 1.02 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 39.10 2rld h ASN 30 CO 0.06 1.48 -2.14 -0.62 -1.65 0.00 0.00 177.43 174.55 2rld n GLU 31 N -3.95 0.58 0.00 0.81 1.02 0.04 -4.54 120.64 114.59 2rld n GLU 31 Ca -0.12 0.33 0.13 0.00 -0.02 0.00 0.00 57.16 57.48 2rld n GLU 31 Cb 0.87 -1.55 0.40 0.00 -0.02 0.00 0.00 31.44 31.14 2rld n GLU 31 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2rld n GLN 32 N -4.31 0.02 -3.88 3.49 1.13 -0.91 -4.96 117.38 107.97 2rld n GLN 32 Ca -0.47 -0.01 -0.27 0.00 -1.94 0.00 0.00 57.00 54.31 2rld n GLN 32 Cb 0.81 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.68 2rld n GLN 32 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2rld n LYS 33 N -1.48 -4.80 -4.16 -1.09 4.76 0.01 -4.96 118.16 106.44 2rld n LYS 33 Ca 0.06 0.56 -0.34 0.00 -2.87 0.00 0.00 58.31 55.72 2rld n LYS 33 Cb 0.34 -5.22 -0.14 0.00 -1.84 0.00 0.00 35.03 28.17 2rld n LYS 33 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2rld s GLU 34 N -6.44 3.38 0.00 1.97 -6.30 0.09 -4.97 118.70 106.44 2rld s GLU 34 Ca 0.36 -0.64 0.01 0.00 -2.50 0.00 0.00 54.97 52.20 2rld s GLU 34 Cb -0.19 -2.89 -0.00 0.00 0.00 0.00 0.00 34.13 31.05 2rld s GLU 34 CO 0.84 -0.06 0.22 1.19 0.02 0.00 0.00 175.26 177.47 2rld n PHE 35 N 4.38 0.00 0.63 5.30 3.72 -1.26 -3.60 117.46 126.62 2rld n PHE 35 Ca -0.18 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.33 2rld n PHE 35 Cb 0.51 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.21 2rld n PHE 35 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2rld n VAL 36 N -0.59 0.26 0.00 -4.37 0.31 -1.26 -4.09 118.33 108.59 2rld n VAL 36 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 2rld n VAL 36 Cb 0.01 1.23 0.00 0.00 -0.91 0.00 0.00 33.84 34.17 2rld n VAL 36 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2rld n SER 38 N 1.40 0.00 -0.23 4.52 3.41 -1.26 -2.51 113.62 118.95 2rld n SER 38 Ca 0.16 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.70 2rld n SER 38 Cb 0.59 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.60 2rld n SER 38 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2rld h LYS 39 N 0.00 1.10 -0.30 4.33 3.64 -1.88 -1.69 116.57 121.77 2rld h LYS 39 Ca 0.00 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 2rld h LYS 39 Cb 0.00 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2rld h LYS 39 CO 0.00 1.00 0.03 1.96 -2.27 0.00 0.00 179.45 180.17 2rld h GLN 40 N 1.03 0.50 -0.06 1.90 1.08 -1.83 -2.76 115.11 114.98 2rld h GLN 40 Ca 0.20 -0.14 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 2rld h GLN 40 Cb 0.43 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2rld h GLN 40 CO 0.01 0.62 -0.43 0.97 -0.95 0.00 0.00 178.83 179.04 2rld h ILE 41 N 0.31 1.32 -0.47 2.54 2.10 -1.83 -1.88 117.51 119.60 2rld h ILE 41 Ca 0.09 -1.54 0.05 0.00 1.08 0.00 0.00 64.86 64.53 2rld h ILE 41 Cb 0.37 1.76 -0.04 0.00 -1.09 0.00 0.00 36.82 37.81 2rld h ILE 41 CO 0.01 0.45 0.22 0.25 -1.08 0.00 0.00 178.15 178.00 2rld h LEU 42 N 0.11 0.29 0.41 2.19 5.85 -1.19 0.26 115.31 123.22 2rld h LEU 42 Ca 0.01 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2rld h LEU 42 Cb 0.81 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2rld h LEU 42 CO 0.06 0.21 -0.20 0.03 -0.34 0.00 0.00 178.44 178.20 2rld h ARG 43 N 0.43 -0.53 -0.44 1.25 3.08 -1.15 -2.72 114.38 114.30 2rld h ARG 43 Ca 0.21 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 2rld h ARG 43 Cb 0.15 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2rld h ARG 43 CO -0.17 -0.24 0.16 0.66 -1.07 0.00 0.00 179.97 179.31 2rld h SER 44 N -0.79 0.63 0.33 7.04 4.64 -1.30 -2.56 113.55 121.53 2rld h SER 44 Ca -0.06 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 60.96 2rld h SER 44 Cb 0.54 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2rld h SER 44 CO 0.09 0.65 -0.47 1.23 -0.87 0.00 0.00 176.83 177.46 2rld h GLY 45 N 0.58 0.20 1.68 -0.77 0.00 -0.53 -2.81 103.07 101.41 2rld h GLY 45 Ca 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2rld h GLY 45 CO -0.01 0.18 -0.32 -0.91 0.00 0.00 0.00 176.54 175.48 2rld h THR 46 N 0.15 0.01 -0.00 4.70 1.35 -1.49 -3.35 112.91 114.29 2rld h THR 46 Ca 0.01 -1.02 -0.17 0.00 -0.55 0.00 0.00 66.41 64.68 2rld h THR 46 Cb 0.90 1.85 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 2rld h THR 46 CO 0.07 0.01 -0.80 0.28 -0.25 0.00 0.00 175.52 174.83 2rld h SER 47 N 0.00 0.01 -0.24 5.36 0.02 -1.19 -3.29 113.55 114.21 2rld h SER 47 Ca -0.00 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2rld h SER 47 Cb 1.01 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.47 2rld h SER 47 CO 0.00 0.80 -0.40 0.40 -1.14 0.00 0.00 176.83 176.49 2rld h ILE 48 N 0.00 0.16 -0.18 3.27 2.04 -1.67 -1.52 117.51 119.61 2rld h ILE 48 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2rld h ILE 48 Cb 1.41 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2rld h ILE 48 CO 0.10 0.00 -0.21 1.23 0.00 0.00 0.00 178.15 179.28 2rld h GLY 49 N -0.41 0.35 0.96 5.37 0.00 -1.79 -1.85 103.07 105.70 2rld h GLY 49 Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2rld h GLY 49 CO -0.46 0.23 0.13 0.00 0.00 0.00 0.00 176.54 176.44 2rld h ALA 50 N 1.50 0.28 -0.38 3.60 0.00 -1.48 -0.15 119.26 122.63 2rld h ALA 50 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2rld h ALA 50 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2rld h ALA 50 CO 0.04 -0.20 -0.09 -0.91 0.00 0.00 0.00 179.25 178.09 2rld h ASN 51 N 0.26 0.64 -0.39 0.00 2.35 -0.99 -1.28 115.58 116.17 2rld h ASN 51 Ca 0.08 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 2rld h ASN 51 Cb 0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2rld h ASN 51 CO -0.01 0.77 0.15 0.40 -1.65 0.00 0.00 177.43 177.08 2rld h ILE 52 N 0.60 1.20 -0.53 2.81 2.04 -1.14 -1.47 117.51 121.02 2rld h ILE 52 Ca 0.11 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.41 2rld h ILE 52 Cb 0.51 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 2rld h ILE 52 CO 0.03 0.22 0.22 0.03 0.00 0.00 0.00 178.15 178.66 2rld h ARG 53 N 0.48 0.42 -0.87 2.37 2.47 -0.67 -2.67 114.38 115.91 2rld h ARG 53 Ca 0.13 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.86 2rld h ARG 53 Cb 0.21 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.38 2rld h ARG 53 CO -0.01 0.27 0.57 0.93 0.56 0.00 0.00 179.97 182.30 2rld h GLU 54 N 0.43 1.06 0.00 0.04 5.08 -0.87 -1.51 114.58 118.80 2rld h GLU 54 Ca 0.25 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2rld h GLU 54 Cb 0.24 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2rld h GLU 54 CO -0.22 0.70 -0.01 0.00 -1.00 0.00 0.00 179.01 178.48 2rld h ALA 55 N 1.49 1.70 -0.80 3.43 0.00 -0.92 -0.53 119.26 123.62 2rld h ALA 55 Ca 0.34 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.44 2rld h ALA 55 Cb 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2rld h ALA 55 CO -0.10 0.01 0.55 0.93 0.00 0.00 0.00 179.25 180.64 2rld h GLU 56 N 0.00 0.25 -3.85 0.00 5.08 -1.20 -3.45 114.58 111.40 2rld h GLU 56 Ca -0.00 -0.02 -0.78 0.00 -1.00 0.00 0.00 59.36 57.56 2rld h GLU 56 Cb 0.02 -0.06 -0.26 0.00 0.50 0.00 0.00 28.75 28.95 2rld h GLU 56 CO 0.00 0.17 0.06 -0.65 -1.00 0.00 0.00 179.01 177.58 2rld s GLN 57 N -5.26 3.52 0.00 2.33 1.11 -0.21 -5.17 119.66 115.98 2rld s GLN 57 Ca -0.07 -2.39 0.00 0.00 0.01 0.00 0.00 55.36 52.91 2rld s GLN 57 Cb 0.22 -4.40 0.00 0.00 -1.01 0.00 0.00 33.01 27.81 2rld s GLN 57 CO 0.77 -1.29 0.00 -1.13 0.01 0.00 0.00 175.29 173.65 2rld n SER 60 N 4.08 0.00 -0.12 5.90 3.41 -1.26 -4.83 113.62 120.80 2rld n SER 60 Ca 0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.65 2rld n SER 60 Cb 0.46 -1.07 0.01 0.00 -0.26 0.00 0.00 64.21 63.35 2rld n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2rld h ARG 61 N 0.53 0.45 -0.26 4.33 3.08 -2.02 -1.56 114.38 118.92 2rld h ARG 61 Ca 0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.09 2rld h ARG 61 Cb 0.00 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 29.88 2rld h ARG 61 CO 0.00 0.29 -0.20 0.00 -1.07 0.00 0.00 179.97 178.99 2rld h ALA 62 N 1.17 -0.04 -0.42 0.04 0.00 -2.04 0.25 119.26 118.21 2rld h ALA 62 Ca 0.15 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2rld h ALA 62 Cb 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2rld h ALA 62 CO -0.07 -0.62 -0.14 -0.44 0.00 0.00 0.00 179.25 177.99 2rld h ASP 63 N -0.19 0.76 -0.05 0.00 3.32 -1.96 0.67 116.42 118.96 2rld h ASP 63 Ca 0.14 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 56.99 2rld h ASP 63 Cb 0.41 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2rld h ASP 63 CO -0.38 0.91 -0.19 0.15 -1.72 0.00 0.00 179.24 178.01 2rld h PHE 64 N 0.69 -0.50 -0.58 4.55 3.57 -0.61 -1.08 116.94 122.97 2rld h PHE 64 Ca 0.11 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2rld h PHE 64 Cb 0.62 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2rld h PHE 64 CO 0.03 -0.27 0.16 0.82 -2.23 0.00 0.00 178.31 176.82 2rld h ILE 65 N -0.28 1.25 -0.34 1.41 5.03 -0.06 -1.95 117.51 122.56 2rld h ILE 65 Ca 0.07 -0.86 0.03 0.00 -0.12 0.00 0.00 64.86 63.99 2rld h ILE 65 Cb 0.39 0.69 -0.03 0.00 -3.03 0.00 0.00 36.82 34.83 2rld h ILE 65 CO -0.22 0.32 0.14 0.78 -0.68 0.00 0.00 178.15 178.49 2rld h ASN 66 N 0.83 0.18 -0.60 1.72 2.35 -0.69 0.17 115.58 119.53 2rld h ASN 66 Ca 0.19 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 2rld h ASN 66 Cb 0.32 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 2rld h ASN 66 CO -0.00 0.14 0.16 0.11 -1.65 0.00 0.00 177.43 176.19 2rld h LYS 67 N 0.30 0.96 -0.30 0.81 1.79 -0.97 -1.77 116.57 117.37 2rld h LYS 67 Ca 0.15 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 58.30 2rld h LYS 67 Cb 0.10 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 2rld h LYS 67 CO -0.13 0.87 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.82 2rld h LEU 68 N 0.87 0.57 -1.13 2.94 3.38 -1.13 -1.03 115.31 119.79 2rld h LEU 68 Ca 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2rld h LEU 68 Cb 0.33 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2rld h LEU 68 CO -0.00 0.78 0.18 0.78 0.09 0.00 0.00 178.44 180.27 2rld h ASN 69 N 0.51 0.73 -0.22 -0.43 -0.26 -0.61 0.20 115.58 115.49 2rld h ASN 69 Ca 0.08 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 2rld h ASN 69 Cb 0.64 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 2rld h ASN 69 CO 0.05 0.68 0.08 0.40 -1.06 0.00 0.00 177.43 177.58 2rld h ILE 70 N 0.77 1.18 -0.76 2.81 2.04 -0.81 -0.17 117.51 122.57 2rld h ILE 70 Ca 0.18 -0.54 0.07 0.00 1.00 0.00 0.00 64.86 65.57 2rld h ILE 70 Cb 0.21 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 2rld h ILE 70 CO -0.01 0.18 0.45 0.00 0.00 0.00 0.00 178.15 178.76 2rld h ALA 71 N 0.92 1.05 -0.42 1.87 0.00 -0.77 -1.24 119.26 120.67 2rld h ALA 71 Ca 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2rld h ALA 71 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2rld h ALA 71 CO -0.00 0.14 0.17 1.25 0.00 0.00 0.00 179.25 180.80 2rld h LEU 72 N 0.80 0.58 -0.62 0.00 5.85 -0.69 -0.82 115.31 120.41 2rld h LEU 72 Ca 0.34 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 59.00 2rld h LEU 72 Cb 0.22 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 2rld h LEU 72 CO -0.19 0.58 0.23 0.50 -0.34 0.00 0.00 178.44 179.22 2rld h LYS 73 N 0.53 0.39 -0.19 1.25 3.64 -0.59 -1.08 116.57 120.53 2rld h LYS 73 Ca 0.14 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 2rld h LYS 73 Cb 0.19 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2rld h LYS 73 CO -0.01 0.26 -0.37 0.93 -2.27 0.00 0.00 179.45 177.98 2rld h GLU 74 N 0.40 0.40 -0.25 1.90 4.39 -0.96 0.15 114.58 120.62 2rld h GLU 74 Ca 0.32 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2rld h GLU 74 Cb 0.41 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2rld h GLU 74 CO -0.33 0.72 0.14 0.00 -1.16 0.00 0.00 179.01 178.38 2rld h ALA 75 N 1.27 0.32 -0.76 3.43 0.00 -0.63 -0.19 119.26 122.70 2rld h ALA 75 Ca 0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2rld h ALA 75 Cb 0.81 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2rld h ALA 75 CO 0.07 -0.14 0.25 -0.91 0.00 0.00 0.00 179.25 178.51 2rld h ASN 76 N 0.29 1.10 -0.60 0.00 2.35 -0.92 -0.90 115.58 116.91 2rld h ASN 76 Ca 0.09 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 2rld h ASN 76 Cb 0.07 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 2rld h ASN 76 CO -0.01 1.01 0.28 -0.08 -1.65 0.00 0.00 177.43 176.97 2rld h GLU 77 N 1.12 0.87 -0.61 0.81 4.81 -0.74 -0.49 114.58 120.35 2rld h GLU 77 Ca 0.25 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2rld h GLU 77 Cb 0.30 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2rld h GLU 77 CO -0.01 0.71 0.36 1.15 -0.73 0.00 0.00 179.01 180.49 2rld h THR 78 N 0.82 1.04 -0.20 0.32 2.02 -0.77 -0.96 112.91 115.17 2rld h THR 78 Ca 0.21 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 2rld h THR 78 Cb 0.14 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2rld h THR 78 CO -0.02 0.13 -0.23 -0.33 0.37 0.00 0.00 175.52 175.43 2rld h GLU 79 N 0.69 0.37 -0.25 6.66 5.08 -0.88 -0.04 114.58 126.20 2rld h GLU 79 Ca 0.25 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2rld h GLU 79 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2rld h GLU 79 CO -0.13 0.58 0.02 -0.92 -1.00 0.00 0.00 179.01 177.57 2rld h TYR 80 N 0.33 0.46 -0.82 4.33 3.20 -0.53 -1.48 116.97 122.46 2rld h TYR 80 Ca 0.05 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2rld h TYR 80 Cb 0.59 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 2rld h TYR 80 CO 0.01 0.57 0.50 -1.49 -1.64 0.00 0.00 178.16 176.11 2rld h TRP 81 N 0.23 1.08 -0.59 -3.82 4.06 -0.68 -1.14 115.95 115.09 2rld h TRP 81 Ca 0.07 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.03 2rld h TRP 81 Cb 0.37 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 28.14 2rld h TRP 81 CO 0.03 0.72 0.39 -0.07 -3.56 0.00 0.00 178.44 175.95 2rld h LEU 82 N 1.14 0.67 -0.50 -4.49 3.38 -0.90 -0.32 115.31 114.28 2rld h LEU 82 Ca 0.30 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.33 2rld h LEU 82 Cb -0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 2rld h LEU 82 CO -0.06 0.48 0.16 -0.33 0.09 0.00 0.00 178.44 178.79 2rld h GLU 83 N 0.79 0.31 -0.73 1.13 5.08 -0.50 -1.29 114.58 119.37 2rld h GLU 83 Ca 0.22 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2rld h GLU 83 Cb -0.08 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2rld h GLU 83 CO -0.05 0.21 0.40 -0.07 -1.00 0.00 0.00 179.01 178.49 2rld h LEU 84 N 0.32 0.92 -0.67 1.33 3.38 -0.83 -1.15 115.31 118.60 2rld h LEU 84 Ca 0.25 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2rld h LEU 84 Cb 0.29 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2rld h LEU 84 CO -0.27 0.75 0.22 -0.07 0.09 0.00 0.00 178.44 179.16 2rld h LEU 85 N 1.01 0.97 -0.24 1.67 3.38 -0.61 -0.30 115.31 121.19 2rld h LEU 85 Ca 0.26 -0.20 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 2rld h LEU 85 Cb 0.04 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.54 2rld h LEU 85 CO -0.04 0.91 -0.68 -0.29 0.09 0.00 0.00 178.44 178.43 2rld h ILE 86 N 0.98 1.28 -0.83 1.22 6.09 -1.16 -1.23 117.51 123.86 2rld h ILE 86 Ca 0.22 -1.88 0.01 0.00 -1.37 0.00 0.00 64.86 61.84 2rld h ILE 86 Cb 0.28 1.84 -0.04 0.00 0.47 0.00 0.00 36.82 39.37 2rld h ILE 86 CO -0.01 0.60 0.55 -0.09 -3.07 0.00 0.00 178.15 176.13 2rld h ARG 87 N 0.57 1.09 -0.22 2.19 9.65 -0.97 -2.28 114.38 124.41 2rld h ARG 87 Ca -0.02 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2rld h ARG 87 Cb 1.29 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 2rld h ARG 87 CO 0.14 0.72 0.00 0.25 2.80 0.00 0.00 179.97 183.88 2rld n THR 88 N -4.41 0.28 -2.10 0.20 -2.24 -0.14 -4.96 114.28 100.91 2rld n THR 88 Ca 0.09 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2rld n THR 88 Cb 0.02 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2rld n THR 88 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rld n GLU 89 N 0.57 -1.03 0.10 -0.78 1.02 -0.86 -4.90 120.64 114.76 2rld n GLU 89 Ca 0.16 0.70 0.12 0.00 -0.02 0.00 0.00 57.16 58.12 2rld n GLU 89 Cb 0.38 -4.90 0.11 0.00 -0.02 0.00 0.00 31.44 27.01 2rld n GLU 89 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2rld h TYR 90 N 0.00 0.00 -3.43 -0.32 0.05 -1.51 -3.45 116.97 108.30 2rld h TYR 90 Ca -0.31 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.01 2rld h TYR 90 Cb 1.17 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.73 2rld h TYR 90 CO 0.36 0.00 -0.77 0.96 -1.05 0.00 0.00 178.16 177.66 2rld s ILE 91 N -3.25 1.55 0.73 -2.88 -4.36 -1.20 -5.00 121.20 106.79 2rld s ILE 91 Ca 0.04 -1.83 -0.11 0.00 -0.26 0.00 0.00 60.65 58.49 2rld s ILE 91 Cb 0.11 -1.69 0.03 0.00 1.25 0.00 0.00 42.46 42.16 2rld s ILE 91 CO 0.74 -0.39 1.08 0.42 0.24 0.00 0.00 174.94 177.03 2rld s THR 92 N -2.17 3.64 0.22 8.37 -4.23 -1.26 -4.64 115.64 115.57 2rld s THR 92 Ca 0.12 0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 61.09 2rld s THR 92 Cb -0.05 -3.32 0.16 0.00 1.34 0.00 0.00 72.50 70.63 2rld s THR 92 CO 0.05 -0.70 1.80 -0.09 -0.54 0.00 0.00 174.62 175.14 2rld h ARG 93 N -0.83 0.64 -0.25 3.99 9.65 -1.99 -0.35 114.38 125.24 2rld h ARG 93 Ca -0.45 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.44 2rld h ARG 93 Cb 1.24 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.62 2rld h ARG 93 CO 0.59 0.42 -0.07 1.49 2.80 0.00 0.00 179.97 185.20 2rld h GLU 94 N 0.66 -0.02 -0.27 0.20 4.81 -1.99 0.23 114.58 118.20 2rld h GLU 94 Ca 0.33 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2rld h GLU 94 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2rld h GLU 94 CO -0.22 -0.01 0.15 1.96 -0.73 0.00 0.00 179.01 180.16 2rld h GLN 95 N -0.02 0.37 -0.27 1.92 4.20 -1.82 -1.81 115.11 117.70 2rld h GLN 95 Ca 0.12 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.84 2rld h GLN 95 Cb 0.21 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 2rld h GLN 95 CO -0.27 0.32 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.26 2rld h TYR 96 N 0.33 -0.07 -0.51 2.96 3.20 -0.79 -0.46 116.97 121.63 2rld h TYR 96 Ca 0.10 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 2rld h TYR 96 Cb 0.05 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2rld h TYR 96 CO -0.04 -0.07 -0.13 0.93 -1.64 0.00 0.00 178.16 177.21 2rld h GLU 97 N 0.04 0.96 0.02 1.82 5.08 -0.82 0.29 114.58 121.97 2rld h GLU 97 Ca 0.13 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2rld h GLU 97 Cb 0.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2rld h GLU 97 CO -0.24 1.03 -0.01 1.03 -1.00 0.00 0.00 179.01 179.82 2rld h SER 98 N 0.85 -0.02 -0.40 1.42 0.87 -0.98 -0.78 113.55 114.51 2rld h SER 98 Ca 0.13 -0.32 -0.13 0.00 -1.23 0.00 0.00 61.79 60.24 2rld h SER 98 Cb 0.69 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2rld h SER 98 CO 0.05 0.31 -0.26 0.40 -0.53 0.00 0.00 176.83 176.80 2rld h ILE 99 N -0.35 1.28 -0.71 2.23 2.04 -1.03 -2.80 117.51 118.17 2rld h ILE 99 Ca -0.00 -1.42 -0.03 0.00 1.00 0.00 0.00 64.86 64.41 2rld h ILE 99 Cb 0.34 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2rld h ILE 99 CO 0.00 0.48 0.31 -1.13 0.00 0.00 0.00 178.15 177.81 2rld h ASN 100 N 0.70 0.95 -0.54 1.72 -1.24 -0.92 -1.37 115.58 114.88 2rld h ASN 100 Ca 0.08 -0.15 0.03 0.00 0.71 0.00 0.00 56.30 56.97 2rld h ASN 100 Cb 0.83 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 2rld h ASN 100 CO 0.07 0.84 0.32 0.78 -1.29 0.00 0.00 177.43 178.15 2rld h ASN 101 N 1.00 0.52 -0.90 1.15 2.35 -1.10 0.26 115.58 118.86 2rld h ASN 101 Ca 0.24 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.02 2rld h ASN 101 Cb 0.16 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 2rld h ASN 101 CO -0.03 0.36 0.59 0.44 -1.65 0.00 0.00 177.43 177.15 2rld h ASP 102 N 0.64 1.00 -0.32 5.81 3.32 -1.25 -1.56 116.42 124.05 2rld h ASP 102 Ca 0.22 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 2rld h ASP 102 Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2rld h ASP 102 CO -0.10 0.71 -0.16 -1.28 -1.72 0.00 0.00 179.24 176.68 2rld h SER 103 N 1.17 0.69 1.00 6.45 0.87 -0.52 -3.11 113.55 120.10 2rld h SER 103 Ca 0.34 -0.41 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 2rld h SER 103 Cb -0.07 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 2rld h SER 103 CO -0.09 0.95 -0.32 0.71 -0.53 0.00 0.00 176.83 177.55 2rld h THR 104 N 0.43 0.72 -0.71 2.23 1.35 -0.38 -2.21 112.91 114.35 2rld h THR 104 Ca 0.07 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 2rld h THR 104 Cb 0.70 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 2rld h THR 104 CO 0.05 0.31 0.44 -0.08 -0.25 0.00 0.00 175.52 175.99 2rld h GLU 105 N 0.00 0.95 -0.37 4.72 4.81 -1.22 -1.51 114.58 121.95 2rld h GLU 105 Ca -0.00 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 2rld h GLU 105 Cb 0.90 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2rld h GLU 105 CO 0.04 0.65 -0.03 0.82 -0.73 0.00 0.00 179.01 179.76 2rld h ILE 106 N 0.97 1.27 -0.50 2.32 2.04 -1.37 -2.48 117.51 119.76 2rld h ILE 106 Ca 0.26 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 65.14 2rld h ILE 106 Cb -0.07 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 2rld h ILE 106 CO -0.05 0.35 0.18 0.78 0.00 0.00 0.00 178.15 179.40 2rld h ASN 107 N 0.48 0.17 -0.57 1.72 4.21 -1.03 -0.80 115.58 119.77 2rld h ASN 107 Ca 0.10 0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.62 2rld h ASN 107 Cb 0.51 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 2rld h ASN 107 CO 0.02 0.13 0.14 0.11 -1.29 0.00 0.00 177.43 176.54 2rld h LYS 108 N 0.35 0.91 -0.39 0.81 1.57 -1.18 -1.00 116.57 117.64 2rld h LYS 108 Ca 0.24 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2rld h LYS 108 Cb 0.26 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2rld h LYS 108 CO -0.25 0.85 0.15 -0.07 -0.57 0.00 0.00 179.45 179.56 2rld h LEU 109 N 0.81 0.55 -0.43 2.94 3.38 -1.16 -2.26 115.31 119.14 2rld h LEU 109 Ca 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2rld h LEU 109 Cb 0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2rld h LEU 109 CO 0.00 0.58 0.15 -0.07 0.09 0.00 0.00 178.44 179.19 2rld h LEU 110 N 0.48 0.62 -0.21 1.67 3.38 -0.86 -1.07 115.31 119.32 2rld h LEU 110 Ca 0.13 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2rld h LEU 110 Cb 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2rld h LEU 110 CO -0.01 0.64 0.05 0.40 0.09 0.00 0.00 178.44 179.62 2rld h ILE 111 N 0.56 0.92 -0.82 1.22 2.04 -1.18 -0.41 117.51 119.83 2rld h ILE 111 Ca 0.14 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.97 2rld h ILE 111 Cb 0.24 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2rld h ILE 111 CO -0.01 0.03 0.54 -1.28 0.00 0.00 0.00 178.15 177.43 2rld h SER 112 N 0.14 0.93 -0.60 1.72 0.87 -1.15 -0.57 113.55 114.89 2rld h SER 112 Ca 0.10 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 2rld h SER 112 Cb 0.08 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 2rld h SER 112 CO -0.12 0.67 -0.01 0.40 -0.53 0.00 0.00 176.83 177.24 2rld h ILE 113 N 1.10 1.27 -0.31 2.23 2.04 -0.83 -3.18 117.51 119.82 2rld h ILE 113 Ca 0.31 -1.16 -0.14 0.00 1.00 0.00 0.00 64.86 64.87 2rld h ILE 113 Cb -0.10 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2rld h ILE 113 CO -0.08 0.42 -0.34 0.40 0.00 0.00 0.00 178.15 178.55 2rld h ILE 114 N 0.97 1.29 0.00 -0.67 2.04 -0.81 -3.52 117.51 116.81 2rld h ILE 114 Ca 0.17 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.51 2rld h ILE 114 Cb 0.57 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2rld h ILE 114 CO 0.03 0.49 0.00 0.29 0.00 0.00 0.00 178.15 178.97