#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nep s PRO 2 N 0.00 4.30 0.21 3.49 0.02 -1.26 -1.48 135.00 140.29 1nep s PRO 2 Ca 0.00 2.29 0.10 0.00 0.02 0.00 0.00 61.00 63.41 1nep s PRO 2 Cb 0.00 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 1nep s PRO 2 CO 0.00 -0.28 -0.19 0.14 -0.33 0.00 0.00 177.00 176.34 1nep s VAL 3 N -0.98 2.10 0.37 3.83 -7.23 -0.37 -4.91 120.40 113.21 1nep s VAL 3 Ca 0.51 -2.16 -0.24 0.00 -1.81 0.00 0.00 61.98 58.28 1nep s VAL 3 Cb -0.41 -2.08 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 1nep s VAL 3 CO 0.53 -0.37 0.99 -0.54 -0.31 0.00 0.00 175.10 175.40 1nep s LYS 4 N -3.19 4.35 0.27 4.82 -0.14 -1.26 -4.64 119.74 119.95 1nep s LYS 4 Ca 0.23 1.37 -0.14 0.00 -1.36 0.00 0.00 55.97 56.06 1nep s LYS 4 Cb -0.05 -2.59 0.00 0.00 -1.68 0.00 0.00 37.83 33.52 1nep s LYS 4 CO 0.10 0.05 0.55 -0.59 -0.76 0.00 0.00 175.35 174.70 1nep s PHE 5 N -1.73 0.27 -0.14 3.18 -0.12 -1.26 -4.86 117.98 113.31 1nep s PHE 5 Ca 0.55 -0.66 -0.01 0.00 -0.05 0.00 0.00 56.93 56.77 1nep s PHE 5 Cb -0.18 0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1nep s PHE 5 CO 0.23 -1.08 -0.12 0.21 -0.05 0.00 0.00 175.22 174.41 1nep s LYS 6 N -3.87 3.37 -0.17 1.99 2.20 -0.47 -4.95 119.74 117.84 1nep s LYS 6 Ca 0.20 -0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 54.83 1nep s LYS 6 Cb -0.02 -2.68 -0.00 0.00 -1.51 0.00 0.00 37.83 33.62 1nep s LYS 6 CO 0.09 0.14 1.07 0.34 -0.36 0.00 0.00 175.35 176.63 1nep s ASP 7 N 0.54 7.12 -0.15 1.43 -1.08 -1.26 -1.07 116.67 122.19 1nep s ASP 7 Ca -0.08 1.49 0.16 0.00 -0.52 0.00 0.00 52.55 53.60 1nep s ASP 7 Cb -0.16 -2.55 0.63 0.00 -1.46 0.00 0.00 42.92 39.39 1nep s ASP 7 CO 0.04 -0.61 1.54 0.00 0.52 0.00 0.00 175.17 176.66 1nep n GLY 9 N 0.43 0.00 3.64 0.00 0.00 -1.25 -4.92 105.19 103.09 1nep n GLY 9 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1nep n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nep s SER 10 N 0.00 6.36 -0.11 1.61 0.01 -1.26 -4.62 113.70 115.69 1nep s SER 10 Ca 0.00 1.99 -0.02 0.00 1.31 0.00 0.00 55.95 59.23 1nep s SER 10 Cb 0.00 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 1nep s SER 10 CO 0.00 -1.21 -0.11 1.87 0.41 0.00 0.00 173.24 174.19 1nep n TRP 11 N 8.31 0.00 -0.86 2.43 -0.00 0.21 -4.72 117.44 122.81 1nep n TRP 11 Ca 0.20 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.78 1nep n TRP 11 Cb 0.44 -0.41 0.20 0.00 -0.00 0.00 0.00 31.31 31.53 1nep n TRP 11 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1nep n VAL 12 N -3.06 1.95 -3.92 5.87 0.24 0.03 -5.00 118.33 114.44 1nep n VAL 12 Ca -0.20 -1.83 -0.09 0.00 -2.04 0.00 0.00 64.34 60.17 1nep n VAL 12 Cb 0.69 -0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 1nep n VAL 12 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1nep s GLY 13 N -2.03 0.34 -0.13 7.63 0.00 -0.96 -0.35 107.32 111.82 1nep s GLY 13 Ca 0.35 -0.77 -0.00 0.00 0.00 0.00 0.00 44.72 44.30 1nep s GLY 13 CO 0.07 -0.78 -0.08 0.14 0.00 0.00 0.00 173.10 172.46 1nep s VAL 14 N -3.94 1.07 0.10 1.40 1.01 -0.01 -4.79 120.40 115.25 1nep s VAL 14 Ca 0.14 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1nep s VAL 14 Cb 0.03 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 1nep s VAL 14 CO -0.03 0.33 1.16 -0.63 0.00 0.00 0.00 175.10 175.93 1nep s ILE 15 N 1.68 4.00 -0.17 2.22 1.01 -1.26 -0.80 121.20 127.87 1nep s ILE 15 Ca 0.04 1.52 0.06 0.00 0.00 0.00 0.00 60.65 62.27 1nep s ILE 15 Cb -0.13 -3.97 -0.15 0.00 0.01 0.00 0.00 42.46 38.22 1nep s ILE 15 CO -0.08 0.17 -0.08 0.29 0.00 0.00 0.00 174.94 175.23 1nep n LYS 16 N 3.40 0.92 -3.61 2.79 4.76 0.45 -4.95 118.16 121.92 1nep n LYS 16 Ca 0.07 0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.43 1nep n LYS 16 Cb 0.46 -1.38 -0.07 0.00 -1.84 0.00 0.00 35.03 32.21 1nep n LYS 16 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1nep s GLU 17 N -2.37 0.81 -0.25 1.97 2.12 -0.92 -4.97 118.70 115.09 1nep s GLU 17 Ca -0.18 0.78 0.00 0.00 0.36 0.00 0.00 54.97 55.93 1nep s GLU 17 Cb 0.06 0.39 0.04 0.00 0.26 0.00 0.00 34.13 34.88 1nep s GLU 17 CO 0.50 -0.13 -0.09 0.08 -0.54 0.00 0.00 175.26 175.08 1nep s VAL 18 N 0.04 2.57 -0.24 3.70 1.01 -1.26 -0.77 120.40 125.45 1nep s VAL 18 Ca -0.01 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 1nep s VAL 18 Cb -0.04 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1nep s VAL 18 CO 0.01 0.15 -0.04 0.21 0.00 0.00 0.00 175.10 175.43 1nep s ASN 19 N 1.25 4.35 -0.07 3.32 3.84 0.05 -1.24 114.94 126.45 1nep s ASN 19 Ca -0.02 -0.69 0.05 0.00 0.21 0.00 0.00 52.86 52.40 1nep s ASN 19 Cb -0.17 -1.71 -0.00 0.00 -0.55 0.00 0.00 41.25 38.82 1nep s ASN 19 CO -0.06 -0.10 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.25 1nep s VAL 20 N 1.39 1.82 -0.02 -5.21 1.01 -0.55 -0.73 120.40 118.11 1nep s VAL 20 Ca 0.02 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1nep s VAL 20 Cb -0.16 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 1nep s VAL 20 CO -0.04 0.51 -0.10 -0.44 0.00 0.00 0.00 175.10 175.03 1nep s SER 21 N 0.16 1.23 -0.10 3.32 0.01 -0.21 -0.74 113.70 117.37 1nep s SER 21 Ca -0.11 -0.19 -0.23 0.00 1.31 0.00 0.00 55.95 56.73 1nep s SER 21 Cb -0.15 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.80 1nep s SER 21 CO 0.05 0.09 0.72 -2.16 0.41 0.00 0.00 173.24 172.35 1nep s PRO 22 N 0.02 4.39 -0.46 12.44 0.04 -1.26 -0.65 135.00 149.51 1nep s PRO 22 Ca -0.00 0.88 0.06 0.00 0.04 0.00 0.00 61.00 61.98 1nep s PRO 22 Cb -0.07 -3.48 0.32 0.00 0.04 0.00 0.00 34.50 31.31 1nep s PRO 22 CO 0.00 -0.03 1.10 0.00 0.04 0.00 0.00 177.00 178.11 1nep h PRO 24 N 3.01 0.26 -4.61 0.00 0.13 -1.94 -3.43 132.00 125.42 1nep h PRO 24 Ca -0.09 -0.05 -0.21 0.00 -0.87 0.00 0.00 66.00 64.77 1nep h PRO 24 Cb 1.09 -0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.03 1nep h PRO 24 CO 0.15 0.35 -0.70 0.95 -0.23 0.00 0.00 178.00 178.53 1nep s THR 25 N -4.84 0.65 0.21 1.56 -4.23 -1.26 -5.07 115.64 102.65 1nep s THR 25 Ca -0.06 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 58.64 1nep s THR 25 Cb 0.16 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 1nep s THR 25 CO 0.73 -0.88 -0.08 -1.10 -0.54 0.00 0.00 174.62 172.76 1nep s GLN 26 N -3.80 2.10 0.61 3.99 -0.21 -1.26 -4.08 119.66 117.02 1nep s GLN 26 Ca 0.11 -1.34 -0.18 0.00 0.02 0.00 0.00 55.36 53.97 1nep s GLN 26 Cb 0.05 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.90 1nep s GLN 26 CO -0.05 0.41 1.19 -2.14 -2.12 0.00 0.00 175.29 172.58 1nep s PRO 27 N -3.11 2.88 0.63 2.91 0.02 -1.26 -5.11 135.00 131.95 1nep s PRO 27 Ca 0.27 1.75 -0.17 0.00 0.02 0.00 0.00 61.00 62.87 1nep s PRO 27 Cb -0.08 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 1nep s PRO 27 CO 0.16 -1.26 1.18 0.00 -0.33 0.00 0.00 177.00 176.75 1nep s LYS 29 N -3.59 0.21 -0.16 0.00 -2.85 -1.26 -0.23 119.74 111.86 1nep s LYS 29 Ca 0.74 -0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 55.22 1nep s LYS 29 Cb -0.27 0.08 0.10 0.00 -2.06 0.00 0.00 37.83 35.68 1nep s LYS 29 CO 0.36 -0.04 0.84 -1.17 0.10 0.00 0.00 175.35 175.44 1nep s LEU 30 N -0.65 -0.56 0.64 2.77 2.96 -1.22 -4.92 118.68 117.69 1nep s LEU 30 Ca -0.07 0.80 -0.11 0.00 -0.22 0.00 0.00 54.13 54.53 1nep s LEU 30 Cb -0.04 2.22 -0.03 0.00 0.50 0.00 0.00 46.19 48.84 1nep s LEU 30 CO 0.00 -0.38 1.04 -1.00 -1.32 0.00 0.00 176.35 174.69 1nep s HIS 31 N -0.61 3.51 0.59 5.38 3.76 -1.26 -2.48 115.29 124.18 1nep s HIS 31 Ca -0.04 1.31 -0.20 0.00 -0.15 0.00 0.00 55.06 55.98 1nep s HIS 31 Cb -0.02 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.87 1nep s HIS 31 CO 0.03 -0.83 1.30 1.03 -0.85 0.00 0.00 174.74 175.42 1nep s ARG 32 N -5.16 2.90 0.00 1.40 0.52 -0.14 -2.43 118.95 116.04 1nep s ARG 32 Ca 0.56 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.85 1nep s ARG 32 Cb -0.12 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.31 1nep s ARG 32 CO 0.54 -1.33 0.00 0.41 0.02 0.00 0.00 175.30 174.94 1nep n GLY 33 N 0.75 1.24 3.62 -3.53 0.00 0.18 -5.00 105.19 102.44 1nep n GLY 33 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1nep n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nep s GLN 34 N -0.58 2.15 0.05 1.61 -0.21 -1.02 -4.94 119.66 116.73 1nep s GLN 34 Ca 0.00 -1.57 0.07 0.00 0.02 0.00 0.00 55.36 53.89 1nep s GLN 34 Cb 0.00 -2.04 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 1nep s GLN 34 CO 0.00 0.28 -0.20 -1.12 -2.12 0.00 0.00 175.29 172.13 1nep s SER 35 N -3.67 2.41 0.36 5.90 0.01 -1.26 -1.00 113.70 116.44 1nep s SER 35 Ca 0.33 -0.54 -0.18 0.00 1.31 0.00 0.00 55.95 56.87 1nep s SER 35 Cb -0.04 -0.19 -0.10 0.00 0.21 0.00 0.00 66.02 65.90 1nep s SER 35 CO 0.19 0.14 0.82 -0.31 0.41 0.00 0.00 173.24 174.49 1nep s TYR 36 N -0.85 3.38 -0.19 2.43 2.02 -0.43 -4.80 117.35 118.91 1nep s TYR 36 Ca 0.07 1.38 -0.09 0.00 -0.37 0.00 0.00 57.07 58.06 1nep s TYR 36 Cb -0.09 -2.66 -0.05 0.00 -0.40 0.00 0.00 41.96 38.76 1nep s TYR 36 CO 0.02 0.04 0.11 -1.12 -1.57 0.00 0.00 175.55 173.03 1nep s SER 37 N -2.18 6.05 -0.06 2.29 0.01 0.17 -0.95 113.70 119.03 1nep s SER 37 Ca 0.56 0.20 0.05 0.00 1.31 0.00 0.00 55.95 58.08 1nep s SER 37 Cb -0.10 -2.05 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 1nep s SER 37 CO 0.16 0.20 -0.22 -0.69 0.41 0.00 0.00 173.24 173.10 1nep s VAL 38 N 0.25 1.86 -0.18 3.43 1.01 0.23 -1.05 120.40 125.96 1nep s VAL 38 Ca 0.07 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1nep s VAL 38 Cb -0.11 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.74 1nep s VAL 38 CO -0.01 0.52 0.08 0.21 0.00 0.00 0.00 175.10 175.90 1nep s ASN 39 N 0.02 2.51 -0.27 3.32 3.84 0.09 -1.38 114.94 123.07 1nep s ASN 39 Ca -0.07 -0.69 -0.07 0.00 0.21 0.00 0.00 52.86 52.24 1nep s ASN 39 Cb -0.14 -0.30 -0.01 0.00 -0.55 0.00 0.00 41.25 40.25 1nep s ASN 39 CO 0.04 -0.35 0.06 -0.69 -2.79 0.00 0.00 177.10 173.37 1nep s VAL 40 N 2.09 3.99 -0.22 -5.21 1.01 0.59 -0.77 120.40 121.89 1nep s VAL 40 Ca 0.02 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 1nep s VAL 40 Cb -0.16 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1nep s VAL 40 CO -0.11 0.22 0.43 -0.89 0.00 0.00 0.00 175.10 174.75 1nep s THR 41 N 1.54 5.17 0.06 3.92 2.01 0.05 -0.84 115.64 127.54 1nep s THR 41 Ca 0.04 0.74 -0.09 0.00 0.31 0.00 0.00 61.69 62.70 1nep s THR 41 Cb -0.16 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1nep s THR 41 CO 0.02 0.21 0.20 0.72 -0.69 0.00 0.00 174.62 175.07 1nep s PHE 42 N 1.59 0.09 -0.16 4.92 -0.71 -0.40 -0.41 117.98 122.89 1nep s PHE 42 Ca 0.19 -0.38 -0.03 0.00 -1.04 0.00 0.00 56.93 55.67 1nep s PHE 42 Cb -0.15 -0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.60 1nep s PHE 42 CO 0.09 -0.47 -0.05 0.99 -1.34 0.00 0.00 175.22 174.44 1nep s THR 43 N -3.05 3.76 0.33 -4.49 2.01 0.01 -0.37 115.64 113.85 1nep s THR 43 Ca -0.01 -0.40 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 1nep s THR 43 Cb 0.01 -2.65 -0.10 0.00 0.01 0.00 0.00 72.50 69.77 1nep s THR 43 CO -0.07 0.49 0.95 -0.55 -0.69 0.00 0.00 174.62 174.76 1nep s SER 44 N 0.49 7.27 -0.17 3.53 0.15 -0.19 -0.83 113.70 123.96 1nep s SER 44 Ca -0.04 1.85 0.17 0.00 0.70 0.00 0.00 55.95 58.63 1nep s SER 44 Cb -0.14 -2.58 0.50 0.00 -1.71 0.00 0.00 66.02 62.09 1nep s SER 44 CO 0.03 -0.12 1.39 -3.20 1.20 0.00 0.00 173.24 172.54 1nep n ASN 45 N 0.45 3.70 -3.65 5.45 5.15 0.52 0.50 115.26 127.38 1nep n ASN 45 Ca 0.02 -2.98 -0.10 0.00 -0.60 0.00 0.00 54.58 50.92 1nep n ASN 45 Cb 0.50 -0.52 -0.04 0.00 -0.53 0.00 0.00 39.78 39.19 1nep n ASN 45 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1nep s THR 46 N -2.76 0.04 0.19 -0.44 -1.32 -1.25 -4.82 115.64 105.28 1nep s THR 46 Ca 0.40 -0.58 -0.12 0.00 -1.21 0.00 0.00 61.69 60.19 1nep s THR 46 Cb 0.33 -1.31 -0.07 0.00 -1.51 0.00 0.00 72.50 69.94 1nep s THR 46 CO 0.09 -0.19 0.55 -1.58 -2.21 0.00 0.00 174.62 171.27 1nep s GLN 47 N -3.82 3.88 -0.27 7.08 -0.44 -1.26 -3.03 119.66 121.80 1nep s GLN 47 Ca 0.05 0.37 -0.18 0.00 -2.50 0.00 0.00 55.36 53.10 1nep s GLN 47 Cb 0.00 -2.78 0.07 0.00 -1.64 0.00 0.00 33.01 28.67 1nep s GLN 47 CO -0.09 0.39 0.67 0.45 0.50 0.00 0.00 175.29 177.22 1nep s SER 48 N -2.05 -0.84 0.22 6.67 0.15 -0.21 -4.86 113.70 112.78 1nep s SER 48 Ca 0.43 1.44 0.07 0.00 0.70 0.00 0.00 55.95 58.58 1nep s SER 48 Cb -0.13 1.36 0.19 0.00 -1.71 0.00 0.00 66.02 65.73 1nep s SER 48 CO 0.20 -0.24 1.51 1.56 1.20 0.00 0.00 173.24 177.48 1nep h GLN 49 N 6.31 0.10 -5.22 5.44 1.08 -1.95 0.22 115.11 121.09 1nep h GLN 49 Ca -0.30 -0.09 -0.47 0.00 -1.45 0.00 0.00 58.65 56.34 1nep h GLN 49 Cb 1.20 0.02 -0.14 0.00 -0.05 0.00 0.00 27.48 28.51 1nep h GLN 49 CO 0.14 0.77 -0.61 -1.54 -0.95 0.00 0.00 178.83 176.64 1nep s SER 50 N -6.86 2.38 -0.16 1.46 1.04 -1.26 -4.59 113.70 105.71 1nep s SER 50 Ca -0.02 -1.39 -0.24 0.00 0.48 0.00 0.00 55.95 54.78 1nep s SER 50 Cb 0.12 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.23 1nep s SER 50 CO 0.79 -0.62 0.61 -0.94 0.98 0.00 0.00 173.24 174.07 1nep s SER 51 N -3.49 -0.61 -0.03 7.02 1.04 -1.26 -4.00 113.70 112.37 1nep s SER 51 Ca 0.36 0.98 0.01 0.00 0.48 0.00 0.00 55.95 57.78 1nep s SER 51 Cb 0.09 0.96 0.02 0.00 0.10 0.00 0.00 66.02 67.18 1nep s SER 51 CO 0.15 -0.36 -0.01 -0.75 0.98 0.00 0.00 173.24 173.25 1nep s LYS 52 N -0.31 0.35 0.07 4.02 2.20 -0.64 -1.20 119.74 124.23 1nep s LYS 52 Ca -0.05 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 1nep s LYS 52 Cb -0.03 -0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 35.78 1nep s LYS 52 CO 0.04 -0.09 0.20 0.00 -0.36 0.00 0.00 175.35 175.14 1nep s ALA 53 N 0.80 3.95 -0.13 3.13 0.00 0.46 -0.59 121.76 129.38 1nep s ALA 53 Ca -0.08 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 1nep s ALA 53 Cb -0.12 -1.77 0.04 0.00 0.00 0.00 0.00 23.12 21.27 1nep s ALA 53 CO -0.01 0.79 0.35 0.54 0.00 0.00 0.00 175.76 177.43 1nep s VAL 54 N -1.52 -0.01 -0.00 0.00 0.11 -0.63 -4.82 120.40 113.54 1nep s VAL 54 Ca 0.34 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.47 1nep s VAL 54 Cb -0.13 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1nep s VAL 54 CO 0.27 0.01 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.18 1nep s VAL 55 N 0.38 1.43 0.04 2.04 1.01 -1.26 -1.37 120.40 122.67 1nep s VAL 55 Ca -0.02 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1nep s VAL 55 Cb -0.04 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1nep s VAL 55 CO -0.01 0.35 -0.10 -1.00 0.00 0.00 0.00 175.10 174.33 1nep s HIS 56 N -0.50 0.89 -0.23 5.22 3.76 -0.43 -1.00 115.29 122.99 1nep s HIS 56 Ca 0.07 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.51 1nep s HIS 56 Cb -0.07 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 33.06 1nep s HIS 56 CO -0.00 -0.01 0.07 0.20 -0.85 0.00 0.00 174.74 174.14 1nep s GLY 57 N -1.27 1.79 -0.46 -2.22 0.00 0.49 -0.69 107.32 104.96 1nep s GLY 57 Ca -0.04 -1.03 -0.17 0.00 0.00 0.00 0.00 44.72 43.48 1nep s GLY 57 CO 0.01 0.41 0.48 -0.42 0.00 0.00 0.00 173.10 173.57 1nep s ILE 58 N 1.30 5.07 -0.33 0.90 1.01 0.15 -0.32 121.20 128.99 1nep s ILE 58 Ca 0.05 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1nep s ILE 58 Cb -0.15 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1nep s ILE 58 CO 0.03 -0.59 0.18 -0.69 0.00 0.00 0.00 174.94 173.88 1nep s VAL 59 N 2.12 4.80 -1.61 2.92 1.01 0.20 -1.50 120.40 128.34 1nep s VAL 59 Ca 0.10 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1nep s VAL 59 Cb -0.20 -3.48 0.11 0.00 0.00 0.00 0.00 36.38 32.81 1nep s VAL 59 CO 0.11 0.01 0.68 0.23 0.00 0.00 0.00 175.10 176.13 1nep n MET 60 N 5.02 -3.31 -0.90 2.72 2.81 -1.26 -0.58 117.12 121.61 1nep n MET 60 Ca -0.13 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1nep n MET 60 Cb 0.49 -4.93 0.00 0.00 -0.71 0.00 0.00 33.22 28.07 1nep n MET 60 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nep n GLY 61 N -1.61 0.94 3.33 3.03 0.00 -1.26 -5.01 105.19 104.60 1nep n GLY 61 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1nep n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nep s ILE 62 N -3.76 3.65 0.26 -0.61 1.01 0.25 -5.07 121.20 116.93 1nep s ILE 62 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 1nep s ILE 62 Cb 0.00 -2.78 -0.09 0.00 0.01 0.00 0.00 42.46 39.60 1nep s ILE 62 CO 0.00 0.25 1.18 -2.16 0.00 0.00 0.00 174.94 174.22 1nep s PRO 63 N 1.48 4.52 -0.04 2.79 0.04 -1.26 -0.63 135.00 141.90 1nep s PRO 63 Ca 0.04 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.03 1nep s PRO 63 Cb -0.16 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.21 1nep s PRO 63 CO -0.00 0.01 -0.10 0.08 0.04 0.00 0.00 177.00 177.03 1nep s VAL 64 N -0.77 0.88 0.31 -0.36 1.01 0.56 -4.94 120.40 117.09 1nep s VAL 64 Ca 0.48 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 1nep s VAL 64 Cb -0.34 -0.81 -0.10 0.00 0.00 0.00 0.00 36.38 35.13 1nep s VAL 64 CO 0.42 0.28 1.32 -2.84 0.00 0.00 0.00 175.10 174.29 1nep s PRO 65 N 0.46 4.35 -0.30 2.72 0.02 -1.26 -0.38 135.00 140.62 1nep s PRO 65 Ca -0.08 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.16 1nep s PRO 65 Cb -0.12 -3.09 0.07 0.00 0.02 0.00 0.00 34.50 31.38 1nep s PRO 65 CO 0.01 -0.22 -0.03 -0.06 -0.33 0.00 0.00 177.00 176.38 1nep s PHE 66 N -0.89 3.40 0.55 6.54 0.40 -0.17 -4.76 117.98 123.05 1nep s PHE 66 Ca 0.51 -2.38 -0.20 0.00 -0.60 0.00 0.00 56.93 54.25 1nep s PHE 66 Cb -0.40 -2.29 -0.05 0.00 0.51 0.00 0.00 43.02 40.79 1nep s PHE 66 CO 0.50 -0.89 1.22 -2.14 0.70 0.00 0.00 175.22 174.62 1nep s PRO 67 N 1.09 3.22 0.14 0.24 0.02 -1.26 -4.26 135.00 134.19 1nep s PRO 67 Ca -0.02 1.88 0.06 0.00 0.02 0.00 0.00 61.00 62.94 1nep s PRO 67 Cb -0.20 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.17 1nep s PRO 67 CO -0.05 -1.02 -0.15 0.96 -0.33 0.00 0.00 177.00 176.42 1nep s ILE 68 N -1.54 1.44 0.53 2.83 -4.36 -1.26 -4.66 121.20 114.18 1nep s ILE 68 Ca 0.73 -1.80 0.23 0.00 -0.26 0.00 0.00 60.65 59.55 1nep s ILE 68 Cb -0.31 -1.63 0.36 0.00 1.25 0.00 0.00 42.46 42.13 1nep s ILE 68 CO 0.36 -0.42 2.04 -0.65 0.24 0.00 0.00 174.94 176.51 1nep h PRO 69 N 3.39 0.01 -2.80 0.37 0.11 -1.97 -3.41 132.00 127.70 1nep h PRO 69 Ca -0.40 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 1nep h PRO 69 Cb 1.20 -0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.01 1nep h PRO 69 CO 0.52 0.01 -0.43 -2.00 -0.21 0.00 0.00 178.00 175.88 1nep s GLU 70 N -5.04 0.26 0.00 1.05 2.56 -1.26 -5.05 118.70 111.22 1nep s GLU 70 Ca -0.05 0.74 0.20 0.00 0.00 0.00 0.00 54.97 55.86 1nep s GLU 70 Cb 0.19 0.00 -0.04 0.00 2.00 0.00 0.00 34.13 36.28 1nep s GLU 70 CO 0.72 -0.21 0.95 0.43 -0.56 0.00 0.00 175.26 176.59 1nep n SER 71 N 4.74 1.70 -4.58 -1.70 7.64 -1.26 -4.89 113.62 115.27 1nep n SER 71 Ca -0.17 -1.35 -0.43 0.00 1.01 0.00 0.00 58.87 57.94 1nep n SER 71 Cb 0.52 0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 64.23 1nep n SER 71 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1nep s ASP 72 N -2.30 6.57 0.52 6.43 -1.08 -1.26 -0.40 116.67 125.14 1nep s ASP 72 Ca 0.15 0.34 0.18 0.00 -0.52 0.00 0.00 52.55 52.70 1nep s ASP 72 Cb 0.16 -2.43 1.32 0.00 -1.46 0.00 0.00 42.92 40.51 1nep s ASP 72 CO 0.54 -0.84 2.14 1.23 0.52 0.00 0.00 175.17 178.76 1nep h GLY 73 N 10.02 0.00 1.72 2.66 0.00 -1.49 -1.07 103.07 114.92 1nep h GLY 73 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1nep h GLY 73 CO 0.96 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.50 1nep n LYS 75 N -1.36 2.17 -1.84 0.00 5.02 -0.42 -4.57 118.16 117.17 1nep n LYS 75 Ca 0.07 -2.29 -0.18 0.00 -2.02 0.00 0.00 58.31 53.89 1nep n LYS 75 Cb 0.17 -1.41 0.05 0.00 -0.02 0.00 0.00 35.03 33.82 1nep n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1nep n SER 76 N -0.84 4.22 0.00 4.39 7.64 -0.34 -4.92 113.62 123.76 1nep n SER 76 Ca 0.12 -3.67 0.00 0.00 1.01 0.00 0.00 58.87 56.34 1nep n SER 76 Cb 0.56 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1nep n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nep n GLY 77 N -0.75 0.77 3.60 0.23 0.00 -1.26 -0.71 105.19 107.07 1nep n GLY 77 Ca 0.38 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 1nep n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nep s ILE 78 N -2.63 4.89 -0.51 -0.61 1.01 -1.22 -4.57 121.20 117.55 1nep s ILE 78 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.43 1nep s ILE 78 Cb 0.00 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 39.26 1nep s ILE 78 CO 0.00 0.39 0.86 -0.60 0.00 0.00 0.00 174.94 175.59 1nep s ARG 79 N 0.91 3.35 0.34 2.79 3.52 -1.26 -4.43 118.95 124.17 1nep s ARG 79 Ca 0.05 -0.25 -0.05 0.00 -0.13 0.00 0.00 55.73 55.36 1nep s ARG 79 Cb -0.13 -4.01 -0.05 0.00 -1.56 0.00 0.00 34.95 29.19 1nep s ARG 79 CO 0.03 -1.32 0.61 0.00 -0.81 0.00 0.00 175.30 173.81 1nep s PRO 81 N -3.90 3.48 0.24 0.00 0.02 -1.26 -5.14 135.00 128.44 1nep s PRO 81 Ca 0.45 2.07 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 1nep s PRO 81 Cb -0.10 -2.39 -0.09 0.00 0.02 0.00 0.00 34.50 31.94 1nep s PRO 81 CO 0.33 -0.87 1.00 0.42 -0.33 0.00 0.00 177.00 177.56 1nep s ILE 82 N -1.38 3.91 0.13 2.83 1.01 0.78 -4.91 121.20 123.57 1nep s ILE 82 Ca 0.67 1.87 0.09 0.00 0.00 0.00 0.00 60.65 63.28 1nep s ILE 82 Cb -0.36 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 1nep s ILE 82 CO 0.44 0.43 -0.18 -1.61 0.00 0.00 0.00 174.94 174.01 1nep s GLU 83 N -1.11 1.78 0.27 2.79 0.41 -1.26 -1.05 118.70 120.53 1nep s GLU 83 Ca 0.43 -1.23 -0.30 0.00 -0.41 0.00 0.00 54.97 53.46 1nep s GLU 83 Cb -0.28 -2.09 -0.10 0.00 -1.78 0.00 0.00 34.13 29.88 1nep s GLU 83 CO 0.35 0.47 1.49 0.21 -0.49 0.00 0.00 175.26 177.28 1nep s LYS 84 N -2.27 4.22 -0.35 1.61 2.20 -1.17 -2.79 119.74 121.18 1nep s LYS 84 Ca 0.19 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.19 1nep s LYS 84 Cb -0.10 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1nep s LYS 84 CO 0.11 -0.48 0.00 -0.25 -0.36 0.00 0.00 175.35 174.36 1nep n ASP 85 N 2.19 -4.54 -4.90 1.43 8.00 0.18 -4.93 116.55 113.99 1nep n ASP 85 Ca 0.07 0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.33 1nep n ASP 85 Cb 0.39 -2.33 -0.05 0.00 -0.02 0.00 0.00 41.12 39.12 1nep n ASP 85 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nep s LYS 86 N -1.63 3.61 -0.14 -1.24 1.02 -1.12 -4.85 119.74 115.39 1nep s LYS 86 Ca 0.00 -0.10 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 1nep s LYS 86 Cb 0.00 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1nep s LYS 86 CO 0.00 0.51 0.10 0.99 -0.92 0.00 0.00 175.35 176.03 1nep s THR 87 N -1.58 5.13 0.17 2.17 2.01 -1.26 -1.03 115.64 121.25 1nep s THR 87 Ca 0.38 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.52 1nep s THR 87 Cb -0.12 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1nep s THR 87 CO 0.24 0.56 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.28 1nep s TYR 88 N -0.51 1.53 -0.31 4.92 2.02 0.50 -4.98 117.35 120.51 1nep s TYR 88 Ca 0.11 -0.61 0.03 0.00 -0.37 0.00 0.00 57.07 56.23 1nep s TYR 88 Cb -0.12 -0.75 0.09 0.00 -0.40 0.00 0.00 41.96 40.78 1nep s TYR 88 CO 0.02 0.24 0.02 -0.80 -1.57 0.00 0.00 175.55 173.45 1nep s ASN 89 N -3.04 4.55 -0.14 2.29 0.01 -1.26 -1.28 114.94 116.08 1nep s ASN 89 Ca 0.17 -1.88 -0.27 0.00 -0.71 0.00 0.00 52.86 50.18 1nep s ASN 89 Cb -0.01 -1.50 -0.01 0.00 0.41 0.00 0.00 41.25 40.14 1nep s ASN 89 CO 0.04 -0.33 0.90 -0.47 -1.51 0.00 0.00 177.10 175.73 1nep s TYR 90 N 1.05 3.46 -0.05 2.20 6.14 -0.02 -4.29 117.35 125.84 1nep s TYR 90 Ca 0.06 1.39 0.04 0.00 0.64 0.00 0.00 57.07 59.20 1nep s TYR 90 Cb -0.19 -3.08 -0.00 0.00 0.42 0.00 0.00 41.96 39.11 1nep s TYR 90 CO -0.09 -0.23 -0.17 0.08 0.64 0.00 0.00 175.55 175.78 1nep s VAL 91 N 2.09 1.44 0.17 3.14 1.01 0.11 -0.30 120.40 128.05 1nep s VAL 91 Ca 0.42 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 1nep s VAL 91 Cb -0.17 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1nep s VAL 91 CO 0.14 0.42 0.41 -3.20 0.00 0.00 0.00 175.10 172.87 1nep n ASN 92 N 3.27 -1.04 -4.26 3.32 2.85 -0.48 -4.58 115.26 114.34 1nep n ASN 92 Ca -0.19 -1.69 -0.18 0.00 -0.11 0.00 0.00 54.58 52.41 1nep n ASN 92 Cb 0.53 1.73 -0.11 0.00 1.24 0.00 0.00 39.78 43.17 1nep n ASN 92 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1nep s LYS 93 N -2.04 1.08 -0.30 1.20 1.02 -1.26 -0.60 119.74 118.85 1nep s LYS 93 Ca 0.08 -1.31 0.01 0.00 0.02 0.00 0.00 55.97 54.77 1nep s LYS 93 Cb -0.02 -0.95 0.09 0.00 -0.52 0.00 0.00 37.83 36.43 1nep s LYS 93 CO 0.05 0.18 0.05 -1.17 -0.92 0.00 0.00 175.35 173.54 1nep s LEU 94 N -2.61 2.85 0.26 3.17 2.96 -0.12 -4.53 118.68 120.64 1nep s LEU 94 Ca 0.11 -1.63 -0.29 0.00 -0.22 0.00 0.00 54.13 52.10 1nep s LEU 94 Cb -0.04 -1.09 -0.09 0.00 0.50 0.00 0.00 46.19 45.47 1nep s LEU 94 CO 0.03 -0.37 1.17 -2.84 -1.32 0.00 0.00 176.35 173.03 1nep s PRO 95 N 1.42 4.54 -0.36 0.98 0.02 -1.26 -1.31 135.00 139.02 1nep s PRO 95 Ca 0.06 1.91 -0.19 0.00 0.02 0.00 0.00 61.00 62.80 1nep s PRO 95 Cb -0.18 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1nep s PRO 95 CO -0.16 0.04 0.56 0.08 -0.33 0.00 0.00 177.00 177.18 1nep s VAL 96 N -0.78 4.97 0.27 3.83 1.01 -0.17 -4.96 120.40 124.57 1nep s VAL 96 Ca 0.48 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.86 1nep s VAL 96 Cb -0.34 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1nep s VAL 96 CO 0.42 -0.27 0.44 -0.54 0.00 0.00 0.00 175.10 175.14 1nep s LYS 97 N 2.51 3.48 0.55 2.72 1.02 -1.26 -0.65 119.74 128.10 1nep s LYS 97 Ca 0.20 -0.50 0.28 0.00 0.02 0.00 0.00 55.97 55.98 1nep s LYS 97 Cb -0.15 -2.79 1.60 0.00 -0.52 0.00 0.00 37.83 35.97 1nep s LYS 97 CO 0.14 0.31 2.15 -0.91 -0.92 0.00 0.00 175.35 176.12 1nep h ASN 98 N 1.20 0.00 1.18 2.83 2.35 -1.96 -1.84 115.58 119.33 1nep h ASN 98 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1nep h ASN 98 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1nep h ASN 98 CO 0.63 0.07 0.00 -0.33 -1.65 0.00 0.00 177.43 176.15 1nep h GLU 99 N 0.00 0.00 -6.33 0.81 3.07 -2.02 -3.44 114.58 106.66 1nep h GLU 99 Ca -0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 1nep h GLU 99 Cb 0.19 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1nep h GLU 99 CO 0.01 0.00 0.30 0.71 -1.40 0.00 0.00 179.01 178.62 1nep s TYR 100 N -3.53 3.66 0.51 4.33 2.02 -0.69 -5.00 117.35 118.64 1nep s TYR 100 Ca 0.03 1.60 -0.22 0.00 -0.37 0.00 0.00 57.07 58.10 1nep s TYR 100 Cb 0.08 -3.03 -0.06 0.00 -0.40 0.00 0.00 41.96 38.56 1nep s TYR 100 CO 0.55 0.05 1.30 -1.25 -1.57 0.00 0.00 175.55 174.62 1nep s PRO 101 N 0.82 3.39 -1.50 -1.71 0.04 -1.26 -4.87 135.00 129.91 1nep s PRO 101 Ca 0.48 2.10 -0.09 0.00 0.04 0.00 0.00 61.00 63.52 1nep s PRO 101 Cb -0.20 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1nep s PRO 101 CO 0.26 -0.94 2.62 -1.13 0.04 0.00 0.00 177.00 177.84 1nep n SER 102 N -0.77 7.50 -2.11 6.66 3.41 -1.26 -4.61 113.62 122.44 1nep n SER 102 Ca 0.09 -2.80 -0.10 0.00 -0.26 0.00 0.00 58.87 55.81 1nep n SER 102 Cb 0.46 -1.52 -0.04 0.00 -0.26 0.00 0.00 64.21 62.85 1nep n SER 102 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1nep n ILE 103 N 3.36 0.00 -2.29 -1.33 -5.35 -1.21 -4.77 119.36 107.77 1nep n ILE 103 Ca 0.67 -1.17 -0.41 0.00 -0.27 0.00 0.00 62.75 61.57 1nep n ILE 103 Cb 0.27 0.58 -0.03 0.00 -1.74 0.00 0.00 39.64 38.72 1nep n ILE 103 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1nep s LYS 104 N -2.66 4.43 -0.01 6.28 2.20 -1.26 -1.67 119.74 127.05 1nep s LYS 104 Ca 0.19 1.97 0.02 0.00 -0.36 0.00 0.00 55.97 57.78 1nep s LYS 104 Cb 0.01 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1nep s LYS 104 CO 0.13 -0.19 -0.05 0.08 -0.36 0.00 0.00 175.35 174.96 1nep s VAL 105 N 0.12 0.42 -0.24 4.02 1.01 0.27 -4.62 120.40 121.39 1nep s VAL 105 Ca 0.55 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 1nep s VAL 105 Cb -0.34 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1nep s VAL 105 CO 0.37 0.13 0.34 -0.69 0.00 0.00 0.00 175.10 175.26 1nep s VAL 106 N 0.07 5.21 -0.18 2.92 1.01 -0.56 -0.16 120.40 128.71 1nep s VAL 106 Ca -0.00 0.55 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 1nep s VAL 106 Cb -0.04 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1nep s VAL 106 CO -0.00 0.22 0.48 -0.69 0.00 0.00 0.00 175.10 175.11 1nep s VAL 107 N 1.65 5.15 -0.19 2.92 1.01 0.50 0.33 120.40 131.78 1nep s VAL 107 Ca 0.15 0.90 -0.03 0.00 0.00 0.00 0.00 61.98 63.00 1nep s VAL 107 Cb -0.15 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1nep s VAL 107 CO 0.08 0.23 -0.07 -0.70 0.00 0.00 0.00 175.10 174.65 1nep s GLU 108 N 1.29 3.42 -0.06 2.72 2.12 0.13 -1.62 118.70 126.69 1nep s GLU 108 Ca 0.23 -0.63 0.06 0.00 0.36 0.00 0.00 54.97 54.99 1nep s GLU 108 Cb -0.15 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 1nep s GLU 108 CO 0.09 -0.02 -0.24 -0.46 -0.54 0.00 0.00 175.26 174.09 1nep s TRP 109 N 1.01 2.47 0.07 5.30 -0.11 -0.23 -1.32 118.94 126.12 1nep s TRP 109 Ca -0.00 -0.71 0.01 0.00 1.22 0.00 0.00 56.10 56.61 1nep s TRP 109 Cb -0.15 -1.62 -0.04 0.00 -1.50 0.00 0.00 33.47 30.17 1nep s TRP 109 CO -0.00 -0.21 -0.05 -1.21 -4.62 0.00 0.00 176.95 170.85 1nep s GLU 110 N -0.14 0.67 -0.03 5.86 2.02 -0.47 -1.64 118.70 124.96 1nep s GLU 110 Ca -0.04 -1.14 -0.00 0.00 0.02 0.00 0.00 54.97 53.81 1nep s GLU 110 Cb -0.14 -0.08 0.03 0.00 0.10 0.00 0.00 34.13 34.04 1nep s GLU 110 CO 0.04 -0.03 0.02 -1.17 0.02 0.00 0.00 175.26 174.14 1nep s LEU 111 N -2.62 0.87 0.26 1.80 2.96 -1.00 -1.61 118.68 119.35 1nep s LEU 111 Ca 0.04 0.01 0.10 0.00 -0.22 0.00 0.00 54.13 54.07 1nep s LEU 111 Cb 0.02 -0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.49 1nep s LEU 111 CO -0.05 -0.15 -0.09 0.42 -1.32 0.00 0.00 176.35 175.16 1nep s THR 112 N 1.36 3.06 0.00 3.68 -4.23 0.24 0.05 115.64 119.80 1nep s THR 112 Ca -0.05 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1nep s THR 112 Cb -0.13 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1nep s THR 112 CO -0.03 -0.35 0.00 -0.90 -0.54 0.00 0.00 174.62 172.80 1nep n ASP 113 N -0.68 0.18 -0.07 3.99 5.75 -0.17 -1.63 116.55 123.91 1nep n ASP 113 Ca -0.06 -0.87 0.15 0.00 -0.01 0.00 0.00 54.79 53.99 1nep n ASP 113 Cb 0.59 0.00 0.56 0.00 -1.03 0.00 0.00 41.12 41.23 1nep n ASP 113 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1nep h ASP 114 N 0.00 0.26 -0.46 -1.12 3.32 -1.90 -0.07 116.42 116.47 1nep h ASP 114 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nep h ASP 114 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1nep h ASP 114 CO 0.00 0.15 0.00 0.29 -1.72 0.00 0.00 179.24 177.96 1nep n LYS 115 N -4.45 3.41 -1.97 3.56 5.02 -1.26 -4.91 118.16 117.56 1nep n LYS 115 Ca 0.10 -2.21 -0.20 0.00 -2.02 0.00 0.00 58.31 53.98 1nep n LYS 115 Cb 0.46 -1.88 -0.05 0.00 -0.02 0.00 0.00 35.03 33.54 1nep n LYS 115 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1nep n ASN 116 N 0.64 -5.55 -4.89 4.39 5.15 -0.04 -4.99 115.26 109.98 1nep n ASN 116 Ca 0.20 0.24 -0.34 0.00 -0.60 0.00 0.00 54.58 54.08 1nep n ASN 116 Cb 0.81 -4.69 -0.05 0.00 -0.53 0.00 0.00 39.78 35.32 1nep n ASN 116 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1nep s GLN 117 N -4.33 3.58 -0.30 1.20 -0.21 -1.26 -4.76 119.66 113.57 1nep s GLN 117 Ca 0.00 -0.11 -0.29 0.00 0.02 0.00 0.00 55.36 54.99 1nep s GLN 117 Cb 0.00 -3.04 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 1nep s GLN 117 CO 0.00 0.62 1.46 1.03 -2.12 0.00 0.00 175.29 176.28 1nep s ARG 118 N -1.95 3.75 0.08 2.91 0.52 -1.26 -1.00 118.95 122.00 1nep s ARG 118 Ca 0.30 1.32 -0.18 0.00 -0.52 0.00 0.00 55.73 56.65 1nep s ARG 118 Cb -0.13 -3.99 -0.09 0.00 0.52 0.00 0.00 34.95 31.26 1nep s ARG 118 CO 0.18 -1.34 1.45 0.74 0.02 0.00 0.00 175.30 176.35 1nep h PHE 119 N 10.35 0.57 -3.11 -0.53 0.04 -0.69 0.12 116.94 123.69 1nep h PHE 119 Ca -0.29 -0.14 -0.09 0.00 2.80 0.00 0.00 57.97 60.25 1nep h PHE 119 Cb 1.12 -0.13 -0.17 0.00 2.20 0.00 0.00 35.95 38.97 1nep h PHE 119 CO 0.92 0.76 -0.17 -0.59 -0.60 0.00 0.00 178.31 178.62 1nep s PHE 120 N -4.63 -0.20 -0.17 -0.55 -0.12 -1.19 -2.27 117.98 108.84 1nep s PHE 120 Ca -0.13 0.15 -0.05 0.00 -0.05 0.00 0.00 56.93 56.84 1nep s PHE 120 Cb 0.07 0.16 0.08 0.00 -0.63 0.00 0.00 43.02 42.71 1nep s PHE 120 CO 0.77 -0.53 0.34 0.00 -0.05 0.00 0.00 175.22 175.75 1nep s TRP 122 N 2.51 0.55 -0.02 0.00 1.48 -0.65 -0.95 118.94 121.85 1nep s TRP 122 Ca 0.01 -0.72 0.04 0.00 -1.06 0.00 0.00 56.10 54.37 1nep s TRP 122 Cb -0.12 -0.35 -0.01 0.00 -1.16 0.00 0.00 33.47 31.83 1nep s TRP 122 CO -0.11 -0.20 -0.14 -0.65 -4.06 0.00 0.00 176.95 171.79 1nep s GLN 123 N -2.51 1.28 0.01 3.25 -0.21 -0.24 -1.07 119.66 120.18 1nep s GLN 123 Ca -0.04 -0.50 -0.05 0.00 0.02 0.00 0.00 55.36 54.79 1nep s GLN 123 Cb -0.03 -1.19 -0.01 0.00 1.00 0.00 0.00 33.01 32.78 1nep s GLN 123 CO -0.03 0.26 0.09 0.96 -2.12 0.00 0.00 175.29 174.45 1nep s ILE 124 N -0.16 0.10 0.16 1.08 -4.36 -0.64 -1.37 121.20 116.00 1nep s ILE 124 Ca 0.02 -0.83 -0.23 0.00 -0.26 0.00 0.00 60.65 59.35 1nep s ILE 124 Cb -0.07 -0.50 -0.08 0.00 1.25 0.00 0.00 42.46 43.06 1nep s ILE 124 CO 0.00 -0.46 0.71 -2.16 0.24 0.00 0.00 174.94 173.28 1nep s PRO 125 N -1.67 4.41 0.09 0.37 0.04 -1.26 -0.37 135.00 136.60 1nep s PRO 125 Ca -0.13 0.99 0.04 0.00 0.04 0.00 0.00 61.00 61.95 1nep s PRO 125 Cb -0.07 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1nep s PRO 125 CO -0.00 0.55 -0.11 0.96 0.04 0.00 0.00 177.00 178.44 1nep s ILE 126 N -1.22 0.98 -0.26 0.56 -4.36 0.77 -3.08 121.20 114.59 1nep s ILE 126 Ca 0.36 -1.51 -0.05 0.00 -0.26 0.00 0.00 60.65 59.19 1nep s ILE 126 Cb -0.21 -1.22 0.00 0.00 1.25 0.00 0.00 42.46 42.28 1nep s ILE 126 CO 0.23 -0.45 0.02 -1.61 0.24 0.00 0.00 174.94 173.38 1nep s GLU 127 N -2.39 3.18 -0.23 0.37 2.02 0.68 -0.56 118.70 121.76 1nep s GLU 127 Ca 0.02 -0.78 -0.28 0.00 0.02 0.00 0.00 54.97 53.95 1nep s GLU 127 Cb -0.06 -3.19 0.01 0.00 0.10 0.00 0.00 34.13 30.99 1nep s GLU 127 CO 0.01 -0.34 1.00 0.08 0.02 0.00 0.00 175.26 176.03 1nep s VAL 128 N 1.47 4.71 -0.15 2.63 1.01 -0.67 -3.43 120.40 125.96 1nep s VAL 128 Ca 0.03 1.95 -0.06 0.00 0.00 0.00 0.00 61.98 63.90 1nep s VAL 128 Cb -0.16 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1nep s VAL 128 CO -0.00 -0.16 0.07 -1.61 0.00 0.00 0.00 175.10 173.40 1nep s GLU 129 N 3.11 3.71 0.00 2.72 2.02 -1.04 -3.33 118.70 125.89 1nep s GLU 129 Ca 0.42 -0.31 0.15 0.00 0.02 0.00 0.00 54.97 55.26 1nep s GLU 129 Cb -0.15 -3.14 0.92 0.00 0.10 0.00 0.00 34.13 31.86 1nep s GLU 129 CO 0.07 0.44 1.33 0.00 0.02 0.00 0.00 175.26 177.12