#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bn0 s ALA 4 N 0.00 2.33 -0.48 4.61 0.00 -1.26 -5.10 121.76 121.86 2bn0 s ALA 4 Ca 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.63 2bn0 s ALA 4 Cb 0.00 -0.54 0.12 0.00 0.00 0.00 0.00 23.12 22.71 2bn0 s ALA 4 CO 0.00 0.54 0.34 0.42 0.00 0.00 0.00 175.76 177.06 2bn0 s ILE 5 N -0.83 4.05 -0.33 0.00 1.01 -1.26 -5.04 121.20 118.80 2bn0 s ILE 5 Ca 0.12 -1.95 -0.11 0.00 0.00 0.00 0.00 60.65 58.71 2bn0 s ILE 5 Cb -0.10 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2bn0 s ILE 5 CO 0.03 -0.78 0.19 -0.54 0.00 0.00 0.00 174.94 173.84 2bn0 s LYS 6 N 1.18 3.32 0.00 2.79 1.02 -1.26 -0.98 119.74 125.81 2bn0 s LYS 6 Ca 0.07 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.34 2bn0 s LYS 6 Cb -0.25 -3.68 -0.03 0.00 -0.52 0.00 0.00 37.83 33.35 2bn0 s LYS 6 CO -0.02 -0.47 -0.03 0.54 -0.92 0.00 0.00 175.35 174.45 2bn0 s VAL 7 N 1.65 3.89 0.00 3.17 0.11 -0.68 -4.99 120.40 123.55 2bn0 s VAL 7 Ca 0.05 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 2bn0 s VAL 7 Cb -0.17 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.96 2bn0 s VAL 7 CO 0.08 0.38 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 2bn0 n GLY 8 N 1.47 0.53 0.00 6.54 0.00 -1.26 -2.57 105.19 109.90 2bn0 n GLY 8 Ca -0.15 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2bn0 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bn0 n ALA 9 N 6.07 0.00 -2.71 4.61 0.00 -1.20 -4.84 120.51 122.44 2bn0 n ALA 9 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2bn0 n ALA 9 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2bn0 n ALA 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2bn0 s TRP 10 N 0.00 3.57 -5.00 0.00 0.51 -0.23 -4.73 118.94 113.06 2bn0 s TRP 10 Ca 0.00 1.38 0.00 0.00 -2.12 0.00 0.00 56.10 55.36 2bn0 s TRP 10 Cb 0.00 -2.93 0.00 0.00 -0.81 0.00 0.00 33.47 29.73 2bn0 s TRP 10 CO 0.00 -0.00 0.00 0.41 -0.51 0.00 0.00 176.95 176.85 2bn0 n GLY 11 N 3.11 0.91 0.00 0.98 0.00 -1.26 -1.40 105.19 107.54 2bn0 n GLY 11 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2bn0 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bn0 n GLY 12 N 0.00 0.27 0.25 -0.02 0.00 -0.00 -4.88 105.19 100.80 2bn0 n GLY 12 Ca 0.00 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.21 2bn0 n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bn0 n ASN 13 N -1.77 1.62 -2.78 1.61 3.02 -1.26 -4.57 115.26 111.13 2bn0 n ASN 13 Ca 0.00 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 2bn0 n ASN 13 Cb 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2bn0 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bn0 n GLY 14 N 0.28 -2.14 7.00 7.41 0.00 -1.26 -4.91 105.19 111.57 2bn0 n GLY 14 Ca 0.04 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2bn0 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bn0 n GLY 15 N 2.84 -0.13 3.35 -0.02 0.00 -1.26 -4.55 105.19 105.42 2bn0 n GLY 15 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 2bn0 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bn0 s SER 16 N -4.00 3.19 0.56 1.61 0.01 0.14 -4.75 113.70 110.46 2bn0 s SER 16 Ca 0.00 -0.60 -0.21 0.00 1.31 0.00 0.00 55.95 56.45 2bn0 s SER 16 Cb 0.00 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 2bn0 s SER 16 CO 0.00 0.25 1.30 0.00 0.41 0.00 0.00 173.24 175.20 2bn0 s ALA 17 N -0.83 2.73 0.01 1.44 0.00 -1.26 -0.92 121.76 122.94 2bn0 s ALA 17 Ca 0.12 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2bn0 s ALA 17 Cb -0.10 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2bn0 s ALA 17 CO 0.02 -1.27 -0.01 -0.59 0.00 0.00 0.00 175.76 173.91 2bn0 s PHE 18 N -1.40 0.12 -0.30 0.00 -0.12 0.29 -4.87 117.98 111.70 2bn0 s PHE 18 Ca 0.73 -0.22 -0.03 0.00 -0.05 0.00 0.00 56.93 57.36 2bn0 s PHE 18 Cb -0.37 -0.09 0.11 0.00 -0.63 0.00 0.00 43.02 42.04 2bn0 s PHE 18 CO 0.42 -0.08 0.14 0.34 -0.05 0.00 0.00 175.22 176.00 2bn0 s ASP 19 N -0.61 3.48 0.53 1.98 -1.08 -1.26 -1.02 116.67 118.70 2bn0 s ASP 19 Ca -0.07 -1.46 0.30 0.00 -0.52 0.00 0.00 52.55 50.80 2bn0 s ASP 19 Cb -0.04 -0.40 1.49 0.00 -1.46 0.00 0.00 42.92 42.51 2bn0 s ASP 19 CO -0.00 -0.42 2.07 -0.03 0.52 0.00 0.00 175.17 177.31 2bn0 h MET 20 N 8.16 0.00 -1.05 4.34 1.85 -1.19 -3.49 114.93 123.56 2bn0 h MET 20 Ca -0.15 0.00 0.12 0.00 -0.61 0.00 0.00 59.70 59.05 2bn0 h MET 20 Cb 1.00 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.99 2bn0 h MET 20 CO 0.41 0.10 -0.26 0.41 -0.40 0.00 0.00 176.91 177.18 2bn0 n GLY 21 N -0.55 -2.03 3.80 1.39 0.00 -1.24 -4.85 105.19 101.71 2bn0 n GLY 21 Ca -0.01 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 2bn0 n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bn0 s PRO 22 N -2.20 4.25 0.18 1.61 0.04 -1.26 -4.12 135.00 133.50 2bn0 s PRO 22 Ca 0.00 1.26 0.08 0.00 0.04 0.00 0.00 61.00 62.38 2bn0 s PRO 22 Cb 0.00 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2bn0 s PRO 22 CO 0.00 -0.03 -0.05 0.00 0.04 0.00 0.00 177.00 176.96 2bn0 s ALA 23 N -1.95 3.06 0.10 8.56 0.00 0.35 -4.96 121.76 126.91 2bn0 s ALA 23 Ca 0.59 -1.44 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 2bn0 s ALA 23 Cb -0.14 -0.84 -0.08 0.00 0.00 0.00 0.00 23.12 22.06 2bn0 s ALA 23 CO 0.18 0.46 1.44 -0.92 0.00 0.00 0.00 175.76 176.93 2bn0 h TYR 24 N 2.78 0.80 -2.37 0.00 3.20 -1.68 -3.45 116.97 116.25 2bn0 h TYR 24 Ca -0.47 -0.22 -0.05 0.00 3.14 0.00 0.00 58.73 61.13 2bn0 h TYR 24 Cb 1.21 -0.18 -0.25 0.00 1.54 0.00 0.00 36.73 39.05 2bn0 h TYR 24 CO 0.64 0.94 -0.23 1.03 -1.64 0.00 0.00 178.16 178.90 2bn0 s ARG 25 N -4.47 0.46 0.44 1.82 1.81 -1.23 -4.99 118.95 112.79 2bn0 s ARG 25 Ca -0.13 1.07 -0.21 0.00 -1.72 0.00 0.00 55.73 54.75 2bn0 s ARG 25 Cb 0.09 0.29 -0.10 0.00 -0.45 0.00 0.00 34.95 34.77 2bn0 s ARG 25 CO 0.82 -0.20 0.98 0.42 -0.68 0.00 0.00 175.30 176.64 2bn0 s ILE 26 N 2.12 4.19 -0.09 1.52 1.01 -1.26 -1.49 121.20 127.20 2bn0 s ILE 26 Ca -0.06 1.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.96 2bn0 s ILE 26 Cb -0.10 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2bn0 s ILE 26 CO -0.15 -0.28 -0.09 -0.38 0.00 0.00 0.00 174.94 174.04 2bn0 n ILE 27 N -0.69 0.51 -3.46 2.92 5.41 0.10 -4.82 119.36 119.33 2bn0 n ILE 27 Ca 0.08 -0.17 -0.11 0.00 1.00 0.00 0.00 62.75 63.54 2bn0 n ILE 27 Cb 0.53 -1.13 -0.03 0.00 -0.71 0.00 0.00 39.64 38.30 2bn0 n ILE 27 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2bn0 s SER 28 N -5.24 -0.50 -0.02 4.38 1.04 -0.98 -1.34 113.70 111.04 2bn0 s SER 28 Ca -0.12 0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.40 2bn0 s SER 28 Cb 0.04 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.68 2bn0 s SER 28 CO 0.19 -0.79 -0.03 -0.69 0.98 0.00 0.00 173.24 172.90 2bn0 s VAL 29 N -3.18 0.32 -0.11 5.02 1.01 0.90 -2.03 120.40 122.34 2bn0 s VAL 29 Ca 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2bn0 s VAL 29 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2bn0 s VAL 29 CO -0.09 0.14 -0.19 -0.54 0.00 0.00 0.00 175.10 174.43 2bn0 s LYS 30 N 0.50 3.16 -0.34 2.72 1.02 0.11 0.37 119.74 127.27 2bn0 s LYS 30 Ca -0.05 -0.79 -0.02 0.00 0.02 0.00 0.00 55.97 55.13 2bn0 s LYS 30 Cb -0.09 -2.45 0.07 0.00 -0.52 0.00 0.00 37.83 34.85 2bn0 s LYS 30 CO -0.01 0.22 0.08 0.42 -0.92 0.00 0.00 175.35 175.15 2bn0 s ILE 31 N 0.28 3.08 -0.28 2.17 1.01 0.13 -0.22 121.20 127.36 2bn0 s ILE 31 Ca -0.13 -1.68 -0.26 0.00 0.00 0.00 0.00 60.65 58.58 2bn0 s ILE 31 Cb -0.17 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2bn0 s ILE 31 CO 0.07 -0.35 0.89 -0.36 0.00 0.00 0.00 174.94 175.18 2bn0 s PHE 32 N 1.19 3.24 0.06 3.97 0.40 0.45 -2.23 117.98 125.06 2bn0 s PHE 32 Ca 0.01 1.06 0.01 0.00 -0.60 0.00 0.00 56.93 57.41 2bn0 s PHE 32 Cb -0.21 -3.27 -0.03 0.00 0.51 0.00 0.00 43.02 40.02 2bn0 s PHE 32 CO -0.03 -0.55 -0.06 -1.54 0.70 0.00 0.00 175.22 173.75 2bn0 s SER 33 N 1.50 0.80 0.00 1.36 1.04 -0.81 -0.06 113.70 117.52 2bn0 s SER 33 Ca 0.37 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2bn0 s SER 33 Cb -0.14 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2bn0 s SER 33 CO 0.11 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2bn0 n GLY 34 N 0.80 3.66 0.24 7.32 0.00 -1.26 -1.41 105.19 114.54 2bn0 n GLY 34 Ca -0.18 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.47 2bn0 n GLY 34 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bn0 h ASP 35 N 0.00 0.03 -0.00 1.61 3.32 -1.94 -3.15 116.42 116.28 2bn0 h ASP 35 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bn0 h ASP 35 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2bn0 h ASP 35 CO 0.00 0.16 0.00 1.33 -1.72 0.00 0.00 179.24 179.01 2bn0 n VAL 36 N -4.38 0.00 -3.73 -1.35 0.24 -1.26 -1.77 118.33 106.08 2bn0 n VAL 36 Ca -0.02 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.90 2bn0 n VAL 36 Cb 0.20 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.46 2bn0 n VAL 36 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2bn0 s VAL 37 N 1.04 3.72 0.06 3.34 1.01 -0.71 -4.24 120.40 124.62 2bn0 s VAL 37 Ca 0.00 -1.47 -0.20 0.00 0.00 0.00 0.00 61.98 60.31 2bn0 s VAL 37 Cb 0.00 -3.27 -0.12 0.00 0.00 0.00 0.00 36.38 32.99 2bn0 s VAL 37 CO 0.00 -0.40 1.42 0.44 0.00 0.00 0.00 175.10 176.56 2bn0 h ASP 38 N 8.22 0.40 -5.51 3.32 3.32 -0.79 -0.37 116.42 125.02 2bn0 h ASP 38 Ca -0.20 -0.40 0.35 0.00 0.02 0.00 0.00 57.03 56.79 2bn0 h ASP 38 Cb 1.07 -0.11 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 2bn0 h ASP 38 CO 0.67 0.71 0.91 -0.83 -1.72 0.00 0.00 179.24 178.98 2bn0 s GLY 39 N -3.29 -0.41 0.11 2.75 0.00 -0.99 -0.19 107.32 105.29 2bn0 s GLY 39 Ca -0.14 1.03 0.10 0.00 0.00 0.00 0.00 44.72 45.70 2bn0 s GLY 39 CO 0.75 0.24 -0.25 0.14 0.00 0.00 0.00 173.10 173.99 2bn0 s VAL 40 N -2.23 2.03 -0.11 1.40 1.01 0.96 -0.41 120.40 123.06 2bn0 s VAL 40 Ca 0.14 -1.61 0.03 0.00 0.00 0.00 0.00 61.98 60.54 2bn0 s VAL 40 Cb 0.05 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.63 2bn0 s VAL 40 CO -0.05 0.08 -0.21 -1.81 0.00 0.00 0.00 175.10 173.11 2bn0 s ASP 41 N -1.85 2.88 -0.12 3.32 1.11 0.70 -0.28 116.67 122.42 2bn0 s ASP 41 Ca 0.11 -0.53 0.01 0.00 0.18 0.00 0.00 52.55 52.32 2bn0 s ASP 41 Cb -0.10 -1.32 0.02 0.00 1.07 0.00 0.00 42.92 42.59 2bn0 s ASP 41 CO 0.05 0.11 -0.12 -0.69 1.18 0.00 0.00 175.17 175.70 2bn0 s VAL 42 N 0.58 1.31 -0.17 -1.27 1.01 0.63 -0.71 120.40 121.78 2bn0 s VAL 42 Ca -0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2bn0 s VAL 42 Cb -0.17 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2bn0 s VAL 42 CO 0.04 0.41 -0.07 -0.89 0.00 0.00 0.00 175.10 174.59 2bn0 s THR 43 N 1.39 3.39 0.14 3.92 2.01 -0.86 -0.52 115.64 125.12 2bn0 s THR 43 Ca 0.01 -0.52 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 2bn0 s THR 43 Cb -0.13 -2.49 0.03 0.00 0.01 0.00 0.00 72.50 69.92 2bn0 s THR 43 CO -0.07 0.48 0.42 0.72 -0.69 0.00 0.00 174.62 175.48 2bn0 s PHE 44 N 0.78 -0.15 0.23 4.92 -0.12 -0.38 0.03 117.98 123.30 2bn0 s PHE 44 Ca -0.03 -0.18 -0.08 0.00 -0.05 0.00 0.00 56.93 56.59 2bn0 s PHE 44 Cb -0.15 0.27 -0.07 0.00 -0.63 0.00 0.00 43.02 42.45 2bn0 s PHE 44 CO 0.02 -0.75 0.52 0.95 -0.05 0.00 0.00 175.22 175.90 2bn0 s THR 45 N -3.83 4.99 -0.33 -4.49 -4.23 -0.56 -0.60 115.64 106.60 2bn0 s THR 45 Ca 0.05 0.32 0.05 0.00 -1.18 0.00 0.00 61.69 60.93 2bn0 s THR 45 Cb 0.01 -3.64 0.17 0.00 1.34 0.00 0.00 72.50 70.39 2bn0 s THR 45 CO -0.09 -0.10 0.50 -0.47 -0.54 0.00 0.00 174.62 173.91 2bn0 s TYR 46 N -1.85 -1.29 -1.21 3.99 5.04 0.84 -1.90 117.35 120.97 2bn0 s TYR 46 Ca 0.46 0.34 -0.03 0.00 -2.44 0.00 0.00 57.07 55.39 2bn0 s TYR 46 Cb -0.11 0.03 -0.01 0.00 0.35 0.00 0.00 41.96 42.22 2bn0 s TYR 46 CO 0.23 -1.05 0.83 0.66 -1.34 0.00 0.00 175.55 174.88 2bn0 n TYR 47 N 5.00 -2.09 0.00 4.97 4.02 -1.26 -2.59 117.16 125.21 2bn0 n TYR 47 Ca 0.06 0.83 0.00 0.00 -0.01 0.00 0.00 57.90 58.78 2bn0 n TYR 47 Cb 0.52 -4.44 0.00 0.00 -0.02 0.00 0.00 39.34 35.39 2bn0 n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bn0 n GLY 48 N -1.40 2.67 3.90 2.72 0.00 -1.26 -5.02 105.19 106.80 2bn0 n GLY 48 Ca -0.23 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 2bn0 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bn0 s LYS 49 N 0.00 3.64 -0.17 1.61 1.02 -1.07 -5.08 119.74 119.68 2bn0 s LYS 49 Ca 0.00 0.20 -0.00 0.00 0.02 0.00 0.00 55.97 56.18 2bn0 s LYS 49 Cb 0.00 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2bn0 s LYS 49 CO 0.00 -0.02 -0.15 0.99 -0.92 0.00 0.00 175.35 175.25 2bn0 s THR 50 N -2.43 2.61 0.27 2.17 2.01 -1.26 -0.11 115.64 118.90 2bn0 s THR 50 Ca 0.47 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.75 2bn0 s THR 50 Cb -0.10 -2.11 -0.06 0.00 0.01 0.00 0.00 72.50 70.24 2bn0 s THR 50 CO 0.36 0.51 -0.03 -1.61 -0.69 0.00 0.00 174.62 173.16 2bn0 s GLU 51 N 1.02 1.51 -0.04 4.92 2.02 0.23 -4.98 118.70 123.39 2bn0 s GLU 51 Ca -0.01 -1.78 -0.01 0.00 0.02 0.00 0.00 54.97 53.19 2bn0 s GLU 51 Cb -0.15 -1.00 0.03 0.00 0.10 0.00 0.00 34.13 33.11 2bn0 s GLU 51 CO -0.04 -0.02 0.01 0.99 0.02 0.00 0.00 175.26 176.22 2bn0 s THR 52 N -3.14 0.19 0.11 3.63 2.01 -1.26 -1.25 115.64 115.93 2bn0 s THR 52 Ca 0.30 0.15 0.10 0.00 0.31 0.00 0.00 61.69 62.55 2bn0 s THR 52 Cb 0.05 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2bn0 s THR 52 CO 0.12 0.19 -0.24 -0.13 -0.69 0.00 0.00 174.62 173.86 2bn0 s ARG 53 N 1.50 1.60 -0.05 4.92 1.81 0.32 -4.96 118.95 124.08 2bn0 s ARG 53 Ca -0.03 -1.25 0.02 0.00 -1.72 0.00 0.00 55.73 52.75 2bn0 s ARG 53 Cb -0.13 -1.98 0.02 0.00 -0.45 0.00 0.00 34.95 32.40 2bn0 s ARG 53 CO -0.03 0.47 -0.09 -1.58 -0.68 0.00 0.00 175.30 173.39 2bn0 s HIS 54 N -1.03 1.15 -0.05 -0.53 5.65 -1.26 -0.27 115.29 118.95 2bn0 s HIS 54 Ca 0.15 -0.38 0.06 0.00 0.25 0.00 0.00 55.06 55.13 2bn0 s HIS 54 Cb -0.10 -0.88 -0.01 0.00 -1.18 0.00 0.00 32.58 30.41 2bn0 s HIS 54 CO 0.06 -0.22 -0.23 0.71 -0.65 0.00 0.00 174.74 174.41 2bn0 s TYR 55 N 0.69 2.20 0.00 3.88 1.51 0.62 -4.97 117.35 121.27 2bn0 s TYR 55 Ca -0.12 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.29 2bn0 s TYR 55 Cb -0.15 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 2bn0 s TYR 55 CO 0.02 -0.20 0.00 0.41 -1.11 0.00 0.00 175.55 174.67 2bn0 n GLY 56 N 3.00 -0.86 0.00 0.71 0.00 -1.26 -0.03 105.19 106.76 2bn0 n GLY 56 Ca -0.18 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.68 2bn0 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bn0 n GLY 57 N 0.00 -1.31 0.46 -0.02 0.00 0.73 -4.65 105.19 100.40 2bn0 n GLY 57 Ca 0.00 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.47 2bn0 n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bn0 n SER 58 N -1.48 2.68 -1.34 1.61 3.41 -1.26 -4.56 113.62 112.68 2bn0 n SER 58 Ca 0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 2bn0 n SER 58 Cb 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2bn0 n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bn0 n GLY 59 N 0.19 1.09 0.44 5.00 0.00 -1.26 -5.06 105.19 105.59 2bn0 n GLY 59 Ca 0.09 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 44.21 2bn0 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bn0 n GLY 60 N 5.00 -1.87 3.50 -0.02 0.00 -1.26 -4.66 105.19 105.87 2bn0 n GLY 60 Ca 0.00 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 2bn0 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bn0 s THR 61 N -1.97 3.61 0.33 2.61 2.01 -0.50 -4.71 115.64 117.02 2bn0 s THR 61 Ca 0.00 -0.48 -0.28 0.00 0.31 0.00 0.00 61.69 61.24 2bn0 s THR 61 Cb 0.00 -2.52 -0.09 0.00 0.01 0.00 0.00 72.50 69.89 2bn0 s THR 61 CO 0.00 0.54 1.17 -2.16 -0.69 0.00 0.00 174.62 173.48 2bn0 s PRO 62 N -0.12 4.38 -0.18 4.92 0.04 -1.26 -1.93 135.00 140.85 2bn0 s PRO 62 Ca 0.01 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.93 2bn0 s PRO 62 Cb -0.13 -2.98 0.05 0.00 0.04 0.00 0.00 34.50 31.48 2bn0 s PRO 62 CO 0.03 -0.05 -0.00 -1.01 0.04 0.00 0.00 177.00 176.01 2bn0 s HIS 63 N -1.26 1.31 -0.12 0.56 3.76 -0.95 -4.91 115.29 113.69 2bn0 s HIS 63 Ca 0.50 -0.93 -0.04 0.00 -0.15 0.00 0.00 55.06 54.44 2bn0 s HIS 63 Cb -0.33 -1.13 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 2bn0 s HIS 63 CO 0.42 -0.59 0.04 -2.00 -0.85 0.00 0.00 174.74 171.76 2bn0 s GLU 64 N 1.76 3.31 -0.23 1.40 2.12 -1.26 0.17 118.70 125.98 2bn0 s GLU 64 Ca -0.00 -0.35 -0.00 0.00 0.36 0.00 0.00 54.97 54.98 2bn0 s GLU 64 Cb -0.16 -2.96 0.03 0.00 0.26 0.00 0.00 34.13 31.30 2bn0 s GLU 64 CO -0.07 0.60 -0.11 0.42 -0.54 0.00 0.00 175.26 175.57 2bn0 s ILE 65 N -0.59 2.54 -0.40 -3.70 1.01 0.16 -4.98 121.20 115.24 2bn0 s ILE 65 Ca 0.10 -1.10 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 2bn0 s ILE 65 Cb -0.12 -2.27 0.08 0.00 0.01 0.00 0.00 42.46 40.16 2bn0 s ILE 65 CO 0.02 0.25 0.22 -0.69 0.00 0.00 0.00 174.94 174.75 2bn0 s VAL 66 N 1.28 3.91 0.18 2.92 1.01 -1.26 -0.07 120.40 128.37 2bn0 s VAL 66 Ca -0.00 -1.53 -0.32 0.00 0.00 0.00 0.00 61.98 60.13 2bn0 s VAL 66 Cb -0.16 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.67 2bn0 s VAL 66 CO -0.07 -0.50 1.71 -0.76 0.00 0.00 0.00 175.10 175.48 2bn0 s LEU 67 N 1.35 4.37 0.00 3.92 1.43 -0.45 -4.99 118.68 124.32 2bn0 s LEU 67 Ca 0.03 2.80 -0.06 0.00 -1.03 0.00 0.00 54.13 55.87 2bn0 s LEU 67 Cb -0.23 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.52 2bn0 s LEU 67 CO 0.00 -0.95 0.74 1.67 0.23 0.00 0.00 176.35 178.04 2bn0 n GLN 68 N 4.31 -0.41 -1.66 1.70 -0.06 -1.26 -4.90 117.38 115.10 2bn0 n GLN 68 Ca 0.16 -1.43 -0.43 0.00 -2.00 0.00 0.00 57.00 53.30 2bn0 n GLN 68 Cb 0.36 -0.67 -0.03 0.00 -4.06 0.00 0.00 30.24 25.84 2bn0 n GLN 68 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2bn0 s GLU 69 N -4.50 3.21 -0.49 3.69 8.01 -1.26 -1.97 118.70 125.39 2bn0 s GLU 69 Ca 0.44 1.98 0.00 0.00 0.01 0.00 0.00 54.97 57.41 2bn0 s GLU 69 Cb -0.02 -4.34 0.00 0.00 -4.31 0.00 0.00 34.13 25.46 2bn0 s GLU 69 CO 0.30 -2.01 0.00 0.41 0.01 0.00 0.00 175.26 173.97 2bn0 n GLY 70 N 5.65 0.41 3.32 -1.39 0.00 -1.26 -5.04 105.19 106.88 2bn0 n GLY 70 Ca 0.28 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 2bn0 n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bn0 s GLU 71 N -3.53 3.30 0.34 1.61 2.12 -0.83 -5.05 118.70 116.66 2bn0 s GLU 71 Ca 0.00 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 54.67 2bn0 s GLU 71 Cb 0.00 -2.61 -0.07 0.00 0.26 0.00 0.00 34.13 31.71 2bn0 s GLU 71 CO 0.00 0.14 -0.00 0.71 -0.54 0.00 0.00 175.26 175.57 2bn0 s TYR 72 N 0.52 2.18 -0.33 5.30 1.51 -1.26 -4.44 117.35 120.83 2bn0 s TYR 72 Ca -0.10 -0.76 -0.27 0.00 -1.01 0.00 0.00 57.07 54.94 2bn0 s TYR 72 Cb -0.16 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 2bn0 s TYR 72 CO 0.04 0.27 0.96 -0.51 -1.11 0.00 0.00 175.55 175.20 2bn0 s LEU 73 N -3.56 3.99 -0.15 -1.29 1.43 -1.26 -2.69 118.68 115.14 2bn0 s LEU 73 Ca 0.34 0.81 0.17 0.00 -1.03 0.00 0.00 54.13 54.43 2bn0 s LEU 73 Cb 0.07 -3.35 0.36 0.00 0.03 0.00 0.00 46.19 43.30 2bn0 s LEU 73 CO 0.15 -0.81 1.22 1.33 0.23 0.00 0.00 176.35 178.47 2bn0 n VAL 74 N 5.83 2.03 -3.65 -1.59 0.24 0.91 -1.47 118.33 120.63 2bn0 n VAL 74 Ca 0.09 -2.31 -0.03 0.00 -2.04 0.00 0.00 64.34 60.05 2bn0 n VAL 74 Cb 0.48 -0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.54 2bn0 n VAL 74 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2bn0 s GLY 75 N -2.72 0.28 -0.00 7.63 0.00 -1.08 -1.38 107.32 110.05 2bn0 s GLY 75 Ca 0.35 3.32 -0.00 0.00 0.00 0.00 0.00 44.72 48.39 2bn0 s GLY 75 CO 0.03 1.69 0.00 -0.29 0.00 0.00 0.00 173.10 174.53 2bn0 s MET 76 N -0.30 -0.01 0.10 2.90 1.75 -1.01 -0.51 119.30 122.23 2bn0 s MET 76 Ca 0.08 0.03 -0.16 0.00 -1.25 0.00 0.00 55.69 54.38 2bn0 s MET 76 Cb -0.04 -0.03 0.03 0.00 2.84 0.00 0.00 34.83 37.63 2bn0 s MET 76 CO -0.13 -0.02 0.39 0.00 -0.65 0.00 0.00 175.02 174.60 2bn0 s ALA 77 N 0.14 -0.90 0.00 4.11 0.00 -0.75 0.10 121.76 124.47 2bn0 s ALA 77 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2bn0 s ALA 77 Cb -0.02 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.70 2bn0 s ALA 77 CO -0.00 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2bn0 n GLY 78 N -0.03 -0.69 3.28 0.00 0.00 -0.69 -0.89 105.19 106.16 2bn0 n GLY 78 Ca -0.17 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 2bn0 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bn0 s GLU 79 N -0.38 0.35 0.36 1.61 2.02 -0.70 -2.01 118.70 119.94 2bn0 s GLU 79 Ca 0.00 1.04 -0.25 0.00 0.02 0.00 0.00 54.97 55.78 2bn0 s GLU 79 Cb 0.00 0.34 -0.09 0.00 0.10 0.00 0.00 34.13 34.47 2bn0 s GLU 79 CO 0.00 -0.27 1.02 0.14 0.02 0.00 0.00 175.26 176.17 2bn0 s VAL 80 N 2.63 3.83 0.20 2.63 -7.23 -1.08 0.61 120.40 122.00 2bn0 s VAL 80 Ca -0.01 1.49 -0.08 0.00 -1.81 0.00 0.00 61.98 61.58 2bn0 s VAL 80 Cb -0.12 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 32.99 2bn0 s VAL 80 CO -0.13 0.09 0.30 0.00 -0.31 0.00 0.00 175.10 175.05 2bn0 s ALA 81 N -1.58 0.26 -0.67 1.32 0.00 0.41 -2.47 121.76 119.03 2bn0 s ALA 81 Ca 0.54 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 2bn0 s ALA 81 Cb -0.22 1.07 0.17 0.00 0.00 0.00 0.00 23.12 24.14 2bn0 s ALA 81 CO 0.28 -0.70 0.56 1.21 0.00 0.00 0.00 175.76 177.11 2bn0 s ASN 82 N -3.04 6.01 -0.51 0.00 3.84 -1.26 0.06 114.94 120.04 2bn0 s ASN 82 Ca 0.25 -2.52 -0.23 0.00 0.21 0.00 0.00 52.86 50.57 2bn0 s ASN 82 Cb 0.03 -2.05 0.04 0.00 -0.55 0.00 0.00 41.25 38.71 2bn0 s ASN 82 CO 0.06 -0.55 0.85 -0.47 -2.79 0.00 0.00 177.10 174.20 2bn0 s TYR 83 N 0.43 2.90 -1.01 0.43 6.04 0.01 -4.36 117.35 121.79 2bn0 s TYR 83 Ca 0.14 0.00 -0.12 0.00 0.04 0.00 0.00 57.07 57.13 2bn0 s TYR 83 Cb -0.18 -3.86 0.11 0.00 -1.04 0.00 0.00 41.96 37.00 2bn0 s TYR 83 CO -0.05 -1.17 0.33 0.72 -1.54 0.00 0.00 175.55 173.84 2bn0 n HIS 84 N 7.02 -1.60 0.00 4.97 8.25 -1.26 -1.15 115.22 131.45 2bn0 n HIS 84 Ca 0.01 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 2bn0 n HIS 84 Cb 0.47 -1.66 0.00 0.00 1.12 0.00 0.00 29.99 29.92 2bn0 n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bn0 n GLY 85 N -0.84 1.02 3.71 -1.41 0.00 -1.26 -5.09 105.19 101.32 2bn0 n GLY 85 Ca 0.05 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2bn0 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bn0 s ALA 86 N -1.13 3.59 -0.59 4.61 0.00 -0.30 -5.04 121.76 122.90 2bn0 s ALA 86 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 51.96 50.97 2bn0 s ALA 86 Cb 0.00 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 21.10 2bn0 s ALA 86 CO 0.00 0.22 1.32 0.08 0.00 0.00 0.00 175.76 177.39 2bn0 s VAL 87 N 0.19 3.86 0.27 0.00 1.01 -1.25 -0.81 120.40 123.67 2bn0 s VAL 87 Ca 0.07 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.79 2bn0 s VAL 87 Cb -0.12 -4.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 2bn0 s VAL 87 CO -0.01 -1.32 0.08 0.68 0.00 0.00 0.00 175.10 174.54 2bn0 s VAL 88 N 5.65 0.72 0.12 2.92 -7.23 0.11 -2.42 120.40 120.26 2bn0 s VAL 88 Ca 0.47 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 2bn0 s VAL 88 Cb -0.09 -2.66 -0.06 0.00 0.56 0.00 0.00 36.38 34.13 2bn0 s VAL 88 CO 0.24 -0.02 1.10 -0.76 -0.31 0.00 0.00 175.10 175.35 2bn0 s LEU 89 N -3.35 4.44 -0.05 1.32 1.43 -0.90 0.15 118.68 121.73 2bn0 s LEU 89 Ca 0.37 1.99 0.17 0.00 -1.03 0.00 0.00 54.13 55.63 2bn0 s LEU 89 Cb 0.08 -3.59 -0.25 0.00 0.03 0.00 0.00 46.19 42.46 2bn0 s LEU 89 CO 0.14 -0.28 0.31 0.61 0.23 0.00 0.00 176.35 177.36 2bn0 n GLY 90 N 2.48 -0.79 3.09 -3.19 0.00 0.20 -1.73 105.19 105.25 2bn0 n GLY 90 Ca 0.05 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 2bn0 n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bn0 s LYS 91 N -3.02 0.34 -0.22 1.61 1.02 -1.19 -3.07 119.74 115.21 2bn0 s LYS 91 Ca -0.07 -0.02 -0.19 0.00 0.02 0.00 0.00 55.97 55.71 2bn0 s LYS 91 Cb 0.10 0.15 0.06 0.00 -0.52 0.00 0.00 37.83 37.61 2bn0 s LYS 91 CO 0.70 -0.07 0.57 -1.17 -0.92 0.00 0.00 175.35 174.47 2bn0 s LEU 92 N -0.54 -0.26 0.17 3.17 2.96 -0.18 -1.72 118.68 122.27 2bn0 s LEU 92 Ca -0.06 1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 54.86 2bn0 s LEU 92 Cb -0.04 1.97 0.02 0.00 0.50 0.00 0.00 46.19 48.64 2bn0 s LEU 92 CO 0.01 -0.20 0.45 -0.83 -1.32 0.00 0.00 176.35 174.45 2bn0 s GLY 93 N 0.51 -0.05 0.28 7.98 0.00 -0.07 0.15 107.32 116.11 2bn0 s GLY 93 Ca -0.02 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.45 2bn0 s GLY 93 CO -0.02 -0.37 0.05 -1.36 0.00 0.00 0.00 173.10 171.40 2bn0 s PHE 94 N -3.87 1.72 0.00 1.90 0.40 -1.15 -1.80 117.98 115.18 2bn0 s PHE 94 Ca 0.09 -1.01 0.02 0.00 -0.60 0.00 0.00 56.93 55.43 2bn0 s PHE 94 Cb 0.01 -1.05 -0.01 0.00 0.51 0.00 0.00 43.02 42.47 2bn0 s PHE 94 CO -0.05 -0.11 -0.07 -1.12 0.70 0.00 0.00 175.22 174.57 2bn0 s SER 95 N -3.38 0.81 0.33 1.36 0.01 0.33 -0.18 113.70 112.98 2bn0 s SER 95 Ca 0.34 -0.17 0.08 0.00 1.31 0.00 0.00 55.95 57.52 2bn0 s SER 95 Cb 0.08 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2bn0 s SER 95 CO 0.13 0.06 0.13 0.42 0.41 0.00 0.00 173.24 174.38 2bn0 s THR 96 N -0.28 3.06 -1.61 1.44 -4.23 0.21 -0.06 115.64 114.18 2bn0 s THR 96 Ca 0.01 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 2bn0 s THR 96 Cb -0.03 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2bn0 s THR 96 CO -0.00 -0.20 0.33 -0.46 -0.54 0.00 0.00 174.62 173.75 2bn0 n ASN 97 N -1.12 0.16 0.00 3.99 0.23 -1.10 -2.40 115.26 115.02 2bn0 n ASN 97 Ca -0.03 -0.82 0.00 0.00 -0.53 0.00 0.00 54.58 53.20 2bn0 n ASN 97 Cb 0.61 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 2bn0 n ASN 97 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2bn0 n LYS 98 N -0.19 2.15 -3.53 -3.83 3.00 -1.26 -5.05 118.16 109.45 2bn0 n LYS 98 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2bn0 n LYS 98 Cb 0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 35.03 34.34 2bn0 n LYS 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2bn0 s LYS 99 N -1.26 1.14 0.12 1.64 2.20 -1.01 -5.18 119.74 117.39 2bn0 s LYS 99 Ca 0.00 -0.48 0.05 0.00 -0.36 0.00 0.00 55.97 55.18 2bn0 s LYS 99 Cb 0.00 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.77 2bn0 s LYS 99 CO 0.00 -0.51 0.04 0.00 -0.36 0.00 0.00 175.35 174.52 2bn0 s ALA 100 N -3.47 3.38 0.01 3.13 0.00 -1.26 0.64 121.76 124.18 2bn0 s ALA 100 Ca 0.05 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.87 2bn0 s ALA 100 Cb -0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 2bn0 s ALA 100 CO -0.08 0.62 -0.11 0.71 0.00 0.00 0.00 175.76 176.91 2bn0 s TYR 101 N -1.50 0.95 0.00 0.00 1.51 0.74 -4.97 117.35 114.08 2bn0 s TYR 101 Ca 0.28 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 2bn0 s TYR 101 Cb -0.11 -0.59 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 2bn0 s TYR 101 CO 0.20 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 175.04 2bn0 n GLY 102 N 2.47 2.01 3.71 0.71 0.00 -1.26 -2.92 105.19 109.91 2bn0 n GLY 102 Ca -0.15 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 2bn0 n GLY 102 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2bn0 s PRO 103 N 0.00 1.67 -0.10 1.61 0.02 -1.26 -4.98 135.00 131.96 2bn0 s PRO 103 Ca 0.00 1.55 -0.00 0.00 0.02 0.00 0.00 61.00 62.56 2bn0 s PRO 103 Cb 0.00 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.69 2bn0 s PRO 103 CO 0.00 -2.14 -0.08 -0.06 -0.33 0.00 0.00 177.00 174.39 2bn0 s PHE 104 N -2.47 2.91 0.00 6.54 0.40 0.12 -4.77 117.98 120.72 2bn0 s PHE 104 Ca 0.68 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.84 2bn0 s PHE 104 Cb -0.24 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.51 2bn0 s PHE 104 CO 0.53 0.15 0.00 0.41 0.70 0.00 0.00 175.22 177.00 2bn0 n GLY 105 N 2.74 3.83 0.58 4.36 0.00 -1.26 -1.01 105.19 114.42 2bn0 n GLY 105 Ca -0.18 -1.70 0.06 0.00 0.00 0.00 0.00 46.02 44.21 2bn0 n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bn0 n ASN 106 N 0.00 1.47 -4.00 1.61 3.02 -0.86 -4.77 115.26 111.73 2bn0 n ASN 106 Ca 0.00 -2.95 -0.31 0.00 -0.03 0.00 0.00 54.58 51.29 2bn0 n ASN 106 Cb 0.00 -0.40 -0.16 0.00 -0.61 0.00 0.00 39.78 38.62 2bn0 n ASN 106 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bn0 s THR 107 N -1.95 1.69 0.84 3.41 2.01 -0.73 -4.96 115.64 115.95 2bn0 s THR 107 Ca 0.28 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 2bn0 s THR 107 Cb 0.28 -1.76 0.12 0.00 0.01 0.00 0.00 72.50 71.15 2bn0 s THR 107 CO -0.04 0.16 1.19 -0.83 -0.69 0.00 0.00 174.62 174.41 2bn0 s GLY 108 N 1.37 1.69 0.00 4.40 0.00 -1.26 -3.90 107.32 109.62 2bn0 s GLY 108 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2bn0 s GLY 108 CO -0.08 -0.38 0.00 0.61 0.00 0.00 0.00 173.10 173.25 2bn0 n GLY 109 N -3.38 -0.64 3.64 0.20 0.00 -1.25 -4.65 105.19 99.10 2bn0 n GLY 109 Ca 0.11 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2bn0 n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bn0 s THR 110 N -3.39 4.03 1.01 2.61 -1.32 -1.03 -4.81 115.64 112.73 2bn0 s THR 110 Ca 0.00 1.19 -0.12 0.00 -1.21 0.00 0.00 61.69 61.55 2bn0 s THR 110 Cb 0.00 -3.94 0.19 0.00 -1.51 0.00 0.00 72.50 67.25 2bn0 s THR 110 CO 0.00 -0.29 1.08 -2.16 -2.21 0.00 0.00 174.62 171.04 2bn0 s PRO 111 N 4.07 0.36 -0.13 7.08 0.04 -1.26 -2.64 135.00 142.52 2bn0 s PRO 111 Ca 0.61 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 2bn0 s PRO 111 Cb -0.22 -1.71 0.09 0.00 0.04 0.00 0.00 34.50 32.71 2bn0 s PRO 111 CO 0.22 -2.83 0.82 -0.59 0.04 0.00 0.00 177.00 174.66 2bn0 s PHE 112 N -2.82 -0.56 0.00 0.56 -0.12 -0.85 -4.89 117.98 109.30 2bn0 s PHE 112 Ca 0.66 1.04 -0.13 0.00 -0.05 0.00 0.00 56.93 58.45 2bn0 s PHE 112 Cb -0.20 0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.61 2bn0 s PHE 112 CO 0.59 -0.46 0.26 -1.54 -0.05 0.00 0.00 175.22 174.02 2bn0 s SER 113 N -0.89 -0.12 -0.40 1.98 1.04 -1.26 -1.70 113.70 112.35 2bn0 s SER 113 Ca -0.06 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.36 2bn0 s SER 113 Cb -0.01 0.29 0.17 0.00 0.10 0.00 0.00 66.02 66.57 2bn0 s SER 113 CO 0.05 -0.46 0.32 -0.22 0.98 0.00 0.00 173.24 173.91 2bn0 s LEU 114 N -1.50 1.35 0.31 2.42 2.96 0.12 -4.98 118.68 119.36 2bn0 s LEU 114 Ca -0.12 -2.93 -0.27 0.00 -0.22 0.00 0.00 54.13 50.59 2bn0 s LEU 114 Cb -0.05 -0.43 -0.10 0.00 0.50 0.00 0.00 46.19 46.11 2bn0 s LEU 114 CO 0.02 -0.19 0.95 -2.16 -1.32 0.00 0.00 176.35 173.65 2bn0 s PRO 115 N 0.21 4.62 -0.30 0.98 0.04 -1.26 -2.40 135.00 136.89 2bn0 s PRO 115 Ca 0.30 1.37 0.02 0.00 0.04 0.00 0.00 61.00 62.73 2bn0 s PRO 115 Cb -0.00 -2.87 0.07 0.00 0.04 0.00 0.00 34.50 31.73 2bn0 s PRO 115 CO -0.17 0.30 -0.03 0.42 0.04 0.00 0.00 177.00 177.57 2bn0 s ILE 116 N -1.54 2.46 -0.05 0.56 1.01 -0.48 -4.96 121.20 118.20 2bn0 s ILE 116 Ca 0.49 -1.77 0.13 0.00 0.00 0.00 0.00 60.65 59.50 2bn0 s ILE 116 Cb -0.20 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2bn0 s ILE 116 CO 0.25 -0.22 1.44 0.00 0.00 0.00 0.00 174.94 176.41 2bn0 h ALA 117 N 7.81 0.64 -2.05 9.38 0.00 -1.96 -3.43 119.26 129.65 2bn0 h ALA 117 Ca -0.16 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.04 2bn0 h ALA 117 Cb 1.04 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 18.43 2bn0 h ALA 117 CO 0.51 0.76 -0.48 0.00 0.00 0.00 0.00 179.25 180.04 2bn0 s ALA 118 N -2.98 -1.02 0.00 0.00 0.00 -1.26 -5.12 121.76 111.38 2bn0 s ALA 118 Ca 0.03 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2bn0 s ALA 118 Cb 0.09 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2bn0 s ALA 118 CO 0.76 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.75 2bn0 n GLY 119 N 5.36 0.57 3.73 0.00 0.00 -1.25 -4.91 105.19 108.69 2bn0 n GLY 119 Ca -0.04 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 43.72 2bn0 n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bn0 s LYS 120 N -0.78 1.77 -0.02 1.61 -2.85 -0.15 -4.82 119.74 114.50 2bn0 s LYS 120 Ca 0.00 -1.20 -0.15 0.00 -1.00 0.00 0.00 55.97 53.62 2bn0 s LYS 120 Cb 0.00 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.27 2bn0 s LYS 120 CO 0.00 -0.79 0.40 0.42 0.10 0.00 0.00 175.35 175.48 2bn0 s ILE 121 N -3.67 5.07 -0.00 3.79 1.01 -0.54 -1.48 121.20 125.38 2bn0 s ILE 121 Ca 0.17 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.63 2bn0 s ILE 121 Cb -0.04 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2bn0 s ILE 121 CO 0.09 0.56 0.61 -1.54 0.00 0.00 0.00 174.94 174.66 2bn0 n SER 122 N 2.03 0.42 -3.77 3.58 3.41 0.21 -4.61 113.62 114.88 2bn0 n SER 122 Ca -0.14 -1.22 0.03 0.00 -0.26 0.00 0.00 58.87 57.29 2bn0 n SER 122 Cb 0.52 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.48 2bn0 n SER 122 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2bn0 s GLY 123 N -0.22 -0.30 0.08 5.00 0.00 -1.25 0.13 107.32 110.77 2bn0 s GLY 123 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 44.72 45.13 2bn0 s GLY 123 CO 0.00 3.55 0.03 -1.36 0.00 0.00 0.00 173.10 175.32 2bn0 s PHE 124 N -2.09 0.56 0.07 1.90 0.08 -1.26 -2.22 117.98 115.03 2bn0 s PHE 124 Ca 0.24 -1.04 -0.27 0.00 0.12 0.00 0.00 56.93 55.98 2bn0 s PHE 124 Cb 0.03 -0.36 0.08 0.00 -0.57 0.00 0.00 43.02 42.20 2bn0 s PHE 124 CO -0.03 -0.45 0.88 -0.59 -0.10 0.00 0.00 175.22 174.93 2bn0 s PHE 125 N -3.95 -0.28 -0.47 0.36 -0.12 -0.91 -0.50 117.98 112.11 2bn0 s PHE 125 Ca 0.12 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 57.07 2bn0 s PHE 125 Cb 0.07 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 43.04 2bn0 s PHE 125 CO -0.07 -0.69 0.00 0.41 -0.05 0.00 0.00 175.22 174.82 2bn0 n GLY 126 N -0.34 -0.16 3.05 1.99 0.00 -0.18 0.11 105.19 109.66 2bn0 n GLY 126 Ca -0.08 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 2bn0 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bn0 s ARG 127 N -2.00 0.49 0.16 1.61 0.52 -0.74 -0.55 118.95 118.45 2bn0 s ARG 127 Ca 0.00 -0.80 -0.16 0.00 -0.52 0.00 0.00 55.73 54.25 2bn0 s ARG 127 Cb 0.00 -0.12 0.03 0.00 0.52 0.00 0.00 34.95 35.38 2bn0 s ARG 127 CO 0.00 -0.00 0.45 0.20 0.02 0.00 0.00 175.30 175.97 2bn0 s GLY 128 N -1.79 -0.14 0.00 -3.53 0.00 -0.09 -1.90 107.32 99.87 2bn0 s GLY 128 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2bn0 s GLY 128 CO -0.01 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.38 2bn0 n GLY 129 N -0.28 1.53 0.18 0.20 0.00 -1.26 0.26 105.19 105.81 2bn0 n GLY 129 Ca -0.13 0.32 0.06 0.00 0.00 0.00 0.00 46.02 46.27 2bn0 n GLY 129 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2bn0 h LYS 130 N 0.00 0.00 -4.80 1.61 3.64 -1.90 -1.38 116.57 113.74 2bn0 h LYS 130 Ca 0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 2bn0 h LYS 130 Cb 0.00 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.68 2bn0 h LYS 130 CO 0.00 0.36 -0.58 -0.06 -2.27 0.00 0.00 179.45 176.90 2bn0 s PHE 131 N -3.25 1.48 -0.96 1.91 0.40 -1.26 -2.05 117.98 114.25 2bn0 s PHE 131 Ca 0.03 -1.37 -0.23 0.00 -0.60 0.00 0.00 56.93 54.76 2bn0 s PHE 131 Cb 0.08 -0.76 0.06 0.00 0.51 0.00 0.00 43.02 42.91 2bn0 s PHE 131 CO 0.70 -0.56 1.37 -1.17 0.70 0.00 0.00 175.22 176.26 2bn0 s LEU 132 N -3.30 3.70 0.14 -0.37 2.96 -0.15 -4.33 118.68 117.34 2bn0 s LEU 132 Ca 0.38 -1.40 -0.18 0.00 -0.22 0.00 0.00 54.13 52.71 2bn0 s LEU 132 Cb 0.06 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.24 2bn0 s LEU 132 CO 0.16 -1.49 1.74 0.44 -1.32 0.00 0.00 176.35 175.88 2bn0 h ASP 133 N 9.69 0.03 -5.05 3.68 3.32 -1.73 -2.39 116.42 123.97 2bn0 h ASP 133 Ca 0.12 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2bn0 h ASP 133 Cb 1.02 0.06 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 2bn0 h ASP 133 CO 1.36 0.05 -0.05 0.00 -1.72 0.00 0.00 179.24 178.88 2bn0 s ALA 134 N -6.17 -1.05 -0.05 3.45 0.00 -0.80 -0.82 121.76 116.32 2bn0 s ALA 134 Ca -0.13 0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 2bn0 s ALA 134 Cb 0.11 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.82 2bn0 s ALA 134 CO 0.70 -0.58 0.24 -1.50 0.00 0.00 0.00 175.76 174.62 2bn0 s ILE 135 N -3.24 0.04 0.27 0.00 2.07 -0.49 -1.79 121.20 118.06 2bn0 s ILE 135 Ca -0.01 -0.32 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 2bn0 s ILE 135 Cb 0.01 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 2bn0 s ILE 135 CO -0.08 -0.18 0.19 -0.83 -1.91 0.00 0.00 174.94 172.14 2bn0 s GLY 136 N -0.70 1.92 0.09 1.50 0.00 0.31 -1.07 107.32 109.38 2bn0 s GLY 136 Ca -0.08 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.79 2bn0 s GLY 136 CO 0.02 -1.47 -0.03 -1.34 0.00 0.00 0.00 173.10 170.28 2bn0 s VAL 137 N -3.77 0.42 -0.18 1.40 -7.23 -1.06 -2.15 120.40 107.83 2bn0 s VAL 137 Ca 0.39 -1.89 -0.08 0.00 -1.81 0.00 0.00 61.98 58.59 2bn0 s VAL 137 Cb 0.05 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 2bn0 s VAL 137 CO 0.19 -0.82 0.10 -0.31 -0.31 0.00 0.00 175.10 173.95 2bn0 s TYR 138 N -3.81 3.37 0.02 2.82 1.51 -0.94 -1.69 117.35 118.63 2bn0 s TYR 138 Ca 0.13 0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.49 2bn0 s TYR 138 Cb 0.07 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 2bn0 s TYR 138 CO -0.05 0.31 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.12 2bn0 s LEU 139 N 0.11 3.16 0.04 -1.29 1.43 -0.15 -0.62 118.68 121.36 2bn0 s LEU 139 Ca 0.07 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 2bn0 s LEU 139 Cb -0.12 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2bn0 s LEU 139 CO -0.00 0.26 0.05 -1.61 0.23 0.00 0.00 176.35 175.28 2bn0 s GLU 140 N -1.55 0.58 0.00 1.70 2.02 -0.55 -4.31 118.70 116.59 2bn0 s GLU 140 Ca 0.18 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.29 2bn0 s GLU 140 Cb -0.11 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.34 2bn0 s GLU 140 CO 0.09 -0.13 0.31 -2.30 0.02 0.00 0.00 175.26 173.24