#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5i s GLN 7 N 0.00 0.67 -0.27 -1.46 0.74 -0.54 -5.03 119.66 113.77 2b5i s GLN 7 Ca 0.00 -0.22 -0.04 0.00 0.05 0.00 0.00 55.36 55.15 2b5i s GLN 7 Cb 0.00 -0.66 0.09 0.00 1.10 0.00 0.00 33.01 33.54 2b5i s GLN 7 CO 0.00 0.09 0.12 0.12 -0.55 0.00 0.00 175.29 175.07 2b5i s PHE 8 N 0.15 0.45 -0.06 1.67 5.36 -1.26 -1.53 117.98 122.75 2b5i s PHE 8 Ca -0.02 -0.87 0.03 0.00 -0.96 0.00 0.00 56.93 55.12 2b5i s PHE 8 Cb -0.06 -0.95 0.00 0.00 -0.34 0.00 0.00 43.02 41.67 2b5i s PHE 8 CO -0.00 -0.78 -0.16 0.99 -1.46 0.00 0.00 175.22 173.81 2b5i s THR 9 N 2.06 1.41 0.04 0.12 2.01 -0.48 -5.00 115.64 115.81 2b5i s THR 9 Ca 0.08 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2b5i s THR 9 Cb -0.16 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 2b5i s THR 9 CO -0.31 0.41 -0.09 0.00 -0.69 0.00 0.00 174.62 173.94 2b5i s PHE 11 N -1.23 1.13 -0.05 0.00 0.40 0.35 -4.93 117.98 113.66 2b5i s PHE 11 Ca -0.07 -0.24 -0.18 0.00 -0.60 0.00 0.00 56.93 55.85 2b5i s PHE 11 Cb -0.09 -0.75 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 2b5i s PHE 11 CO 0.01 -0.05 0.49 -0.47 0.70 0.00 0.00 175.22 175.90 2b5i s TYR 12 N -0.17 3.63 -2.07 0.36 5.04 0.23 -0.38 117.35 123.99 2b5i s TYR 12 Ca 0.02 1.01 0.13 0.00 -2.44 0.00 0.00 57.07 55.80 2b5i s TYR 12 Cb -0.06 -2.49 0.44 0.00 0.35 0.00 0.00 41.96 40.19 2b5i s TYR 12 CO -0.00 0.36 1.34 0.27 -1.34 0.00 0.00 175.55 176.18 2b5i n ASN 13 N 2.86 1.66 0.00 4.32 2.04 -0.16 -1.43 115.26 124.55 2b5i n ASN 13 Ca -0.09 -1.90 0.00 0.00 -0.44 0.00 0.00 54.58 52.15 2b5i n ASN 13 Cb 0.52 -0.18 0.00 0.00 -2.53 0.00 0.00 39.78 37.59 2b5i n ASN 13 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2b5i n SER 14 N 0.38 0.00 0.00 0.53 3.41 -1.26 -4.56 113.62 112.12 2b5i n SER 14 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2b5i n SER 14 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 2b5i n SER 14 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2b5i n ARG 15 N -2.00 0.00 -0.95 4.33 5.12 -1.26 -4.29 116.66 117.61 2b5i n ARG 15 Ca 0.00 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.96 2b5i n ARG 15 Cb 0.00 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.37 2b5i n ARG 15 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2b5i n ALA 16 N -3.00 2.55 -3.72 7.54 0.00 -1.20 -2.39 120.51 120.29 2b5i n ALA 16 Ca 0.00 -2.28 -0.18 0.00 0.00 0.00 0.00 53.44 50.98 2b5i n ALA 16 Cb 0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 19.45 18.71 2b5i n ALA 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2b5i s GLN 17 N -0.96 0.24 -0.22 0.00 0.74 -1.26 -0.37 119.66 117.82 2b5i s GLN 17 Ca 0.27 0.14 -0.03 0.00 0.05 0.00 0.00 55.36 55.80 2b5i s GLN 17 Cb 0.29 -0.52 0.00 0.00 1.10 0.00 0.00 33.01 33.88 2b5i s GLN 17 CO -0.09 -0.19 -0.07 0.42 -0.55 0.00 0.00 175.29 174.80 2b5i s ILE 18 N 1.33 3.07 -0.22 -2.34 1.01 -0.82 -0.99 121.20 122.25 2b5i s ILE 18 Ca -0.05 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 2b5i s ILE 18 Cb -0.13 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 2b5i s ILE 18 CO -0.02 0.40 0.28 -0.44 0.00 0.00 0.00 174.94 175.16 2b5i s SER 19 N 1.42 6.29 0.04 3.58 0.01 0.49 -0.08 113.70 125.45 2b5i s SER 19 Ca 0.05 0.33 0.09 0.00 1.31 0.00 0.00 55.95 57.73 2b5i s SER 19 Cb -0.14 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2b5i s SER 19 CO -0.05 0.00 -0.26 0.00 0.41 0.00 0.00 173.24 173.34 2b5i s VAL 21 N -0.79 1.20 -0.07 0.00 1.01 0.52 -1.22 120.40 121.04 2b5i s VAL 21 Ca 0.11 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2b5i s VAL 21 Cb -0.10 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.20 2b5i s VAL 21 CO 0.02 0.37 -0.10 0.86 0.00 0.00 0.00 175.10 176.25 2b5i s TRP 22 N 0.70 1.39 -0.05 5.22 -0.00 0.92 -1.38 118.94 125.74 2b5i s TRP 22 Ca -0.14 -0.55 0.05 0.00 -0.00 0.00 0.00 56.10 55.46 2b5i s TRP 22 Cb -0.16 -1.06 -0.00 0.00 -0.00 0.00 0.00 33.47 32.24 2b5i s TRP 22 CO 0.03 -0.32 -0.18 -1.54 -0.00 0.00 0.00 176.95 174.94 2b5i s SER 23 N 0.93 2.27 0.00 5.86 1.04 -0.58 0.40 113.70 123.62 2b5i s SER 23 Ca -0.10 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2b5i s SER 23 Cb -0.15 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.34 2b5i s SER 23 CO 0.01 0.16 0.00 1.67 0.98 0.00 0.00 173.24 176.06 2b5i n GLN 24 N 3.12 0.00 -0.06 4.02 -0.06 -1.26 -0.79 117.38 122.36 2b5i n GLN 24 Ca -0.18 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.79 2b5i n GLN 24 Cb 0.53 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.57 2b5i n GLN 24 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2b5i n THR 31 N 0.00 0.84 -1.66 1.69 -1.04 -1.26 -4.48 114.28 108.36 2b5i n THR 31 Ca 0.00 -0.65 -0.46 0.00 -2.04 0.00 0.00 64.05 60.90 2b5i n THR 31 Cb 0.00 -0.35 -0.04 0.00 -1.82 0.00 0.00 70.33 68.12 2b5i n THR 31 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2b5i n SER 32 N -2.50 2.99 -4.14 8.00 2.88 -1.26 -4.81 113.62 114.78 2b5i n SER 32 Ca -0.21 1.09 -0.17 0.00 -1.33 0.00 0.00 58.87 58.25 2b5i n SER 32 Cb 0.90 -1.41 -0.12 0.00 -0.75 0.00 0.00 64.21 62.82 2b5i n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b5i s GLN 34 N -1.70 0.47 -0.18 0.00 -0.21 0.37 -1.43 119.66 116.98 2b5i s GLN 34 Ca -0.04 -0.75 -0.09 0.00 0.02 0.00 0.00 55.36 54.50 2b5i s GLN 34 Cb -0.10 0.18 -0.05 0.00 1.00 0.00 0.00 33.01 34.04 2b5i s GLN 34 CO 0.02 -0.10 0.11 0.08 -2.12 0.00 0.00 175.29 173.28 2b5i s VAL 35 N -2.28 5.22 -0.08 1.09 1.01 -0.57 -1.01 120.40 123.78 2b5i s VAL 35 Ca -0.08 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.06 2b5i s VAL 35 Cb -0.04 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2b5i s VAL 35 CO -0.04 0.47 -0.19 -1.00 0.00 0.00 0.00 175.10 174.34 2b5i s HIS 36 N 0.19 2.61 -0.17 5.22 3.76 0.33 -1.41 115.29 125.81 2b5i s HIS 36 Ca 0.07 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 2b5i s HIS 36 Cb -0.11 -1.69 0.01 0.00 1.11 0.00 0.00 32.58 31.90 2b5i s HIS 36 CO -0.01 -0.16 -0.16 0.00 -0.85 0.00 0.00 174.74 173.56 2b5i s ALA 37 N -0.08 2.45 -0.39 -1.40 0.00 0.58 -0.59 121.76 122.32 2b5i s ALA 37 Ca -0.04 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.81 2b5i s ALA 37 Cb -0.14 -1.26 0.11 0.00 0.00 0.00 0.00 23.12 21.83 2b5i s ALA 37 CO 0.04 -0.24 0.11 -1.58 0.00 0.00 0.00 175.76 174.09 2b5i s TRP 38 N 1.13 3.54 0.20 0.00 0.52 0.24 -2.54 118.94 122.03 2b5i s TRP 38 Ca 0.01 -3.01 -0.31 0.00 0.02 0.00 0.00 56.10 52.81 2b5i s TRP 38 Cb -0.14 -2.85 -0.10 0.00 -1.15 0.00 0.00 33.47 29.22 2b5i s TRP 38 CO -0.06 -0.89 1.56 -2.14 0.02 0.00 0.00 176.95 175.43 2b5i s PRO 39 N 0.61 4.21 0.51 4.98 0.02 -1.26 -0.24 135.00 143.83 2b5i s PRO 39 Ca 0.13 2.40 0.34 0.00 0.02 0.00 0.00 61.00 63.88 2b5i s PRO 39 Cb -0.21 -3.12 1.55 0.00 0.02 0.00 0.00 34.50 32.74 2b5i s PRO 39 CO -0.06 -0.59 2.01 0.38 -0.33 0.00 0.00 177.00 178.41 2b5i h ASP 40 N 6.26 0.00 0.00 2.53 2.03 -1.17 -3.32 116.42 122.75 2b5i h ASP 40 Ca -0.44 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.81 2b5i h ASP 40 Cb 1.21 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.59 2b5i h ASP 40 CO 0.88 0.00 -0.64 -2.11 -1.03 0.00 0.00 179.24 176.34 2b5i n ARG 41 N -2.88 0.06 -4.37 4.15 1.85 -1.26 -5.04 116.66 109.18 2b5i n ARG 41 Ca -0.00 -1.38 -0.25 0.00 -1.00 0.00 0.00 57.85 55.22 2b5i n ARG 41 Cb 0.21 -0.40 -0.12 0.00 -1.05 0.00 0.00 32.46 31.10 2b5i n ARG 41 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2b5i s ARG 42 N -0.14 1.35 -0.09 2.89 1.81 -1.25 -5.04 118.95 118.48 2b5i s ARG 42 Ca 0.12 -1.40 0.01 0.00 -1.72 0.00 0.00 55.73 52.74 2b5i s ARG 42 Cb 0.13 -1.60 0.16 0.00 -0.45 0.00 0.00 34.95 33.19 2b5i s ARG 42 CO -0.05 0.35 1.12 0.54 -0.68 0.00 0.00 175.30 176.58 2b5i n ARG 43 N 0.49 1.40 -4.26 3.54 5.12 -1.26 -4.81 116.66 116.88 2b5i n ARG 43 Ca -0.15 -0.69 -0.14 0.00 -1.93 0.00 0.00 57.85 54.94 2b5i n ARG 43 Cb 0.56 -1.35 -0.10 0.00 -1.16 0.00 0.00 32.46 30.40 2b5i n ARG 43 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 2b5i s TRP 44 N -0.88 1.33 0.08 -1.55 1.48 -1.26 -5.17 118.94 112.97 2b5i s TRP 44 Ca 0.13 -1.15 -0.05 0.00 -1.06 0.00 0.00 56.10 53.97 2b5i s TRP 44 Cb 0.11 -0.75 -0.02 0.00 -1.16 0.00 0.00 33.47 31.64 2b5i s TRP 44 CO 0.03 -0.34 0.10 -0.65 -4.06 0.00 0.00 176.95 172.03 2b5i s GLN 45 N -4.01 0.77 0.05 3.25 -0.21 -1.26 -4.30 119.66 113.95 2b5i s GLN 45 Ca 0.32 -1.10 -0.04 0.00 0.02 0.00 0.00 55.36 54.56 2b5i s GLN 45 Cb 0.07 0.29 -0.02 0.00 1.00 0.00 0.00 33.01 34.35 2b5i s GLN 45 CO 0.09 -0.21 0.06 -1.14 -2.12 0.00 0.00 175.29 171.97 2b5i s GLN 46 N -3.90 0.60 0.22 2.91 2.00 -1.05 -5.01 119.66 115.42 2b5i s GLN 46 Ca 0.07 -0.91 0.02 0.00 -2.00 0.00 0.00 55.36 52.55 2b5i s GLN 46 Cb 0.06 0.23 -0.05 0.00 0.80 0.00 0.00 33.01 34.05 2b5i s GLN 46 CO -0.09 -0.14 0.02 0.95 -0.50 0.00 0.00 175.29 175.53 2b5i s THR 47 N -3.06 0.79 -0.10 -0.34 -4.23 -1.26 -0.31 115.64 107.12 2b5i s THR 47 Ca -0.01 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.40 2b5i s THR 47 Cb 0.02 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.55 2b5i s THR 47 CO -0.07 -0.30 0.27 0.00 -0.54 0.00 0.00 174.62 173.99 2b5i s GLU 49 N 0.12 4.17 0.13 0.00 2.02 -1.26 -1.52 118.70 122.37 2b5i s GLU 49 Ca -0.00 2.35 -0.30 0.00 0.02 0.00 0.00 54.97 57.04 2b5i s GLU 49 Cb -0.02 -3.96 -0.07 0.00 0.10 0.00 0.00 34.13 30.18 2b5i s GLU 49 CO 0.00 -0.86 1.16 -0.51 0.02 0.00 0.00 175.26 175.08 2b5i s LEU 50 N 3.87 4.43 0.11 1.80 1.43 -0.51 -4.75 118.68 125.06 2b5i s LEU 50 Ca 0.78 2.09 0.09 0.00 -1.03 0.00 0.00 54.13 56.06 2b5i s LEU 50 Cb -0.38 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 2b5i s LEU 50 CO 0.34 -0.36 -0.23 -0.76 0.23 0.00 0.00 176.35 175.57 2b5i s LEU 51 N 0.24 2.31 0.20 1.79 1.43 -0.80 -4.69 118.68 119.16 2b5i s LEU 51 Ca 0.54 -0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 2b5i s LEU 51 Cb -0.30 -1.01 -0.09 0.00 0.03 0.00 0.00 46.19 44.82 2b5i s LEU 51 CO 0.33 0.10 1.28 -2.16 0.23 0.00 0.00 176.35 176.14 2b5i s PRO 52 N -1.99 4.41 0.00 1.29 0.04 -1.26 -1.18 135.00 136.31 2b5i s PRO 52 Ca 0.10 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2b5i s PRO 52 Cb -0.10 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2b5i s PRO 52 CO 0.05 -0.21 0.00 0.28 0.04 0.00 0.00 177.00 177.16 2b5i n VAL 53 N 2.51 0.00 -0.54 -0.36 0.31 -0.12 -4.87 118.33 115.25 2b5i n VAL 53 Ca 0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.09 2b5i n VAL 53 Cb 0.43 -0.01 0.27 0.00 -0.91 0.00 0.00 33.84 33.62 2b5i n VAL 53 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2b5i s SER 54 N 0.23 -0.23 0.20 4.52 0.15 -1.23 -4.84 113.70 112.49 2b5i s SER 54 Ca 0.00 0.97 -0.12 0.00 0.70 0.00 0.00 55.95 57.50 2b5i s SER 54 Cb 0.00 -1.43 0.24 0.00 -1.71 0.00 0.00 66.02 63.13 2b5i s SER 54 CO 0.00 -4.87 1.67 1.56 1.20 0.00 0.00 173.24 172.80 2b5i h GLN 55 N -3.09 0.10 -0.79 5.44 4.20 -2.03 -2.76 115.11 116.19 2b5i h GLN 55 Ca -0.48 -0.01 -0.50 0.00 0.06 0.00 0.00 58.65 57.72 2b5i h GLN 55 Cb 1.33 -0.02 -0.42 0.00 0.30 0.00 0.00 27.48 28.67 2b5i h GLN 55 CO 0.35 0.07 -0.87 0.00 -0.67 0.00 0.00 178.83 177.71 2b5i n ALA 56 N -2.76 4.56 -2.68 3.87 0.00 -1.26 -5.03 120.51 117.22 2b5i n ALA 56 Ca 0.07 -3.66 -0.22 0.00 0.00 0.00 0.00 53.44 49.63 2b5i n ALA 56 Cb 0.31 -0.46 -0.15 0.00 0.00 0.00 0.00 19.45 19.15 2b5i n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2b5i s SER 57 N -3.61 1.59 0.02 0.00 0.15 -1.04 -4.02 113.70 106.79 2b5i s SER 57 Ca 0.46 -0.25 0.06 0.00 0.70 0.00 0.00 55.95 56.92 2b5i s SER 57 Cb 0.39 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 2b5i s SER 57 CO -0.00 0.15 -0.17 0.26 1.20 0.00 0.00 173.24 174.68 2b5i s TRP 58 N -0.20 1.47 0.16 3.44 0.51 0.16 -0.95 118.94 123.53 2b5i s TRP 58 Ca 0.03 -0.33 0.04 0.00 -2.12 0.00 0.00 56.10 53.72 2b5i s TRP 58 Cb -0.06 -0.90 -0.05 0.00 -0.81 0.00 0.00 33.47 31.65 2b5i s TRP 58 CO -0.00 0.03 -0.08 0.00 -0.51 0.00 0.00 176.95 176.39 2b5i s ALA 59 N -0.65 1.46 -0.28 0.98 0.00 -0.33 -0.06 121.76 122.89 2b5i s ALA 59 Ca 0.05 -1.52 -0.23 0.00 0.00 0.00 0.00 51.96 50.25 2b5i s ALA 59 Cb -0.07 0.14 0.09 0.00 0.00 0.00 0.00 23.12 23.27 2b5i s ALA 59 CO 0.01 -0.14 0.81 0.00 0.00 0.00 0.00 175.76 176.44 2b5i s ASN 61 N 0.55 3.45 -0.43 0.00 0.01 -1.26 0.10 114.94 117.36 2b5i s ASN 61 Ca -0.01 -0.56 -0.21 0.00 -0.71 0.00 0.00 52.86 51.38 2b5i s ASN 61 Cb -0.05 -1.54 0.02 0.00 0.41 0.00 0.00 41.25 40.09 2b5i s ASN 61 CO -0.04 0.03 0.64 -0.76 -1.51 0.00 0.00 177.10 175.46 2b5i s LEU 62 N 1.12 4.47 -0.74 0.60 1.43 0.88 -4.76 118.68 121.68 2b5i s LEU 62 Ca 0.01 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 2b5i s LEU 62 Cb -0.14 -2.73 0.12 0.00 0.03 0.00 0.00 46.19 43.46 2b5i s LEU 62 CO -0.06 -0.75 0.91 -0.63 0.23 0.00 0.00 176.35 176.05 2b5i s ILE 63 N 2.80 4.74 0.16 -0.59 -1.09 -1.26 -1.94 121.20 124.03 2b5i s ILE 63 Ca 0.23 -1.17 0.02 0.00 -2.23 0.00 0.00 60.65 57.50 2b5i s ILE 63 Cb -0.14 -4.63 -0.15 0.00 -1.58 0.00 0.00 42.46 35.96 2b5i s ILE 63 CO 0.18 -1.33 1.38 -0.07 -1.23 0.00 0.00 174.94 173.88 2b5i h LEU 64 N 10.25 0.30 0.00 2.97 3.38 -1.10 -3.49 115.31 127.62 2b5i h LEU 64 Ca -0.11 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2b5i h LEU 64 Cb 1.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2b5i h LEU 64 CO 1.09 1.02 0.00 0.61 0.09 0.00 0.00 178.44 181.25 2b5i n GLY 65 N 0.83 2.54 3.77 0.83 0.00 -1.24 -5.03 105.19 106.89 2b5i n GLY 65 Ca -0.04 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 2b5i n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b5i s ALA 66 N -1.00 2.67 0.26 4.61 0.00 -1.26 -4.91 121.76 122.13 2b5i s ALA 66 Ca 0.00 0.87 0.08 0.00 0.00 0.00 0.00 51.96 52.90 2b5i s ALA 66 Cb 0.00 -3.38 0.79 0.00 0.00 0.00 0.00 23.12 20.53 2b5i s ALA 66 CO 0.00 -0.85 1.23 -2.30 0.00 0.00 0.00 175.76 173.84 2b5i n PRO 67 N -1.34 -0.06 -0.34 0.00 -0.02 -1.26 -1.26 135.00 130.72 2b5i n PRO 67 Ca 0.12 1.14 0.08 0.00 -2.02 0.00 0.00 63.50 62.81 2b5i n PRO 67 Cb 0.51 -1.90 0.22 0.00 -0.02 0.00 0.00 33.50 32.30 2b5i n PRO 67 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2b5i n ASP 68 N -4.97 3.48 -4.82 2.55 8.00 -1.26 -4.42 116.55 115.11 2b5i n ASP 68 Ca 0.23 -2.69 -0.35 0.00 0.71 0.00 0.00 54.79 52.69 2b5i n ASP 68 Cb 0.77 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 2b5i n ASP 68 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2b5i s SER 69 N -1.67 7.02 -0.68 -2.24 1.04 -0.39 -4.98 113.70 111.80 2b5i s SER 69 Ca 0.35 1.50 -0.17 0.00 0.48 0.00 0.00 55.95 58.11 2b5i s SER 69 Cb 0.26 -2.46 0.14 0.00 0.10 0.00 0.00 66.02 64.07 2b5i s SER 69 CO 0.10 -0.11 0.74 -1.58 0.98 0.00 0.00 173.24 173.37 2b5i s GLN 70 N -2.44 3.22 -0.01 4.02 2.00 -1.26 -3.21 119.66 121.97 2b5i s GLN 70 Ca 0.50 -1.69 0.22 0.00 -2.00 0.00 0.00 55.36 52.39 2b5i s GLN 70 Cb -0.14 -4.39 -0.28 0.00 0.80 0.00 0.00 33.01 28.99 2b5i s GLN 70 CO 0.19 -1.48 0.66 1.63 -0.50 0.00 0.00 175.29 175.79 2b5i n LYS 71 N 5.67 0.40 -4.35 1.67 4.76 -1.01 -4.95 118.16 120.35 2b5i n LYS 71 Ca -0.01 -0.12 -0.18 0.00 -2.87 0.00 0.00 58.31 55.14 2b5i n LYS 71 Cb 0.44 -1.52 -0.10 0.00 -1.84 0.00 0.00 35.03 32.01 2b5i n LYS 71 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2b5i s LEU 72 N -3.93 1.86 0.20 -0.35 1.43 -1.26 -5.09 118.68 111.55 2b5i s LEU 72 Ca -0.01 -1.35 -0.00 0.00 -1.03 0.00 0.00 54.13 51.73 2b5i s LEU 72 Cb 0.15 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.21 2b5i s LEU 72 CO 0.89 -0.66 0.10 -0.89 0.23 0.00 0.00 176.35 176.02 2b5i s THR 73 N -3.59 0.18 -0.70 5.49 2.01 -1.26 -4.98 115.64 112.78 2b5i s THR 73 Ca 0.36 -1.98 0.20 0.00 0.31 0.00 0.00 61.69 60.58 2b5i s THR 73 Cb 0.08 -2.41 0.20 0.00 0.01 0.00 0.00 72.50 70.38 2b5i s THR 73 CO 0.13 -0.13 1.62 1.07 -0.69 0.00 0.00 174.62 176.62 2b5i n THR 74 N -0.27 0.87 0.47 -0.82 5.66 -1.26 -2.72 114.28 116.21 2b5i n THR 74 Ca -0.01 0.22 0.11 0.00 -3.05 0.00 0.00 64.05 61.32 2b5i n THR 74 Cb 0.65 -1.07 -0.13 0.00 -1.55 0.00 0.00 70.33 68.23 2b5i n THR 74 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2b5i n VAL 75 N -1.93 0.02 -1.90 1.08 0.24 -1.26 -4.88 118.33 109.69 2b5i n VAL 75 Ca 0.03 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.34 61.66 2b5i n VAL 75 Cb 0.21 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 2b5i n VAL 75 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2b5i s ASP 76 N -3.83 6.20 -0.07 -1.34 1.11 -1.10 -5.04 116.67 112.60 2b5i s ASP 76 Ca -0.00 2.86 0.04 0.00 0.18 0.00 0.00 52.55 55.63 2b5i s ASP 76 Cb 0.15 -2.65 -0.00 0.00 1.07 0.00 0.00 42.92 41.49 2b5i s ASP 76 CO 0.88 -0.95 -0.20 -0.63 1.18 0.00 0.00 175.17 175.46 2b5i s ILE 77 N -1.19 1.70 -0.21 0.77 1.01 -1.26 -4.34 121.20 117.68 2b5i s ILE 77 Ca 0.57 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 2b5i s ILE 77 Cb -0.42 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 2b5i s ILE 77 CO 0.56 0.48 -0.03 -0.69 0.00 0.00 0.00 174.94 175.25 2b5i s VAL 78 N 0.24 3.53 -0.21 2.92 1.01 0.21 -0.49 120.40 127.61 2b5i s VAL 78 Ca -0.11 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 2b5i s VAL 78 Cb -0.15 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2b5i s VAL 78 CO 0.05 0.43 1.03 -0.89 0.00 0.00 0.00 175.10 175.72 2b5i s THR 79 N 1.29 4.70 -0.19 3.92 2.01 0.67 -0.13 115.64 127.90 2b5i s THR 79 Ca 0.04 2.01 -0.03 0.00 0.31 0.00 0.00 61.69 64.02 2b5i s THR 79 Cb -0.14 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.05 2b5i s THR 79 CO -0.01 -0.15 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.93 2b5i s LEU 80 N 3.03 2.82 -0.04 4.42 1.43 -0.13 0.79 118.68 131.00 2b5i s LEU 80 Ca 0.44 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 2b5i s LEU 80 Cb -0.15 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2b5i s LEU 80 CO 0.08 0.04 -0.24 -0.60 0.23 0.00 0.00 176.35 175.85 2b5i s ARG 81 N 1.14 2.38 -0.24 1.70 6.06 0.24 -1.82 118.95 128.41 2b5i s ARG 81 Ca 0.01 -0.88 -0.11 0.00 -2.50 0.00 0.00 55.73 52.25 2b5i s ARG 81 Cb -0.14 -2.15 -0.05 0.00 0.06 0.00 0.00 34.95 32.66 2b5i s ARG 81 CO -0.02 0.48 0.17 0.08 -2.50 0.00 0.00 175.30 173.52 2b5i s VAL 82 N -0.41 5.35 -0.06 7.11 1.01 -0.70 -0.51 120.40 132.19 2b5i s VAL 82 Ca 0.04 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.27 2b5i s VAL 82 Cb -0.12 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 2b5i s VAL 82 CO 0.01 0.34 -0.22 -0.76 0.00 0.00 0.00 175.10 174.48 2b5i s LEU 83 N 1.08 2.00 0.05 3.92 1.43 -0.18 0.26 118.68 127.23 2b5i s LEU 83 Ca 0.08 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 2b5i s LEU 83 Cb -0.14 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2b5i s LEU 83 CO 0.05 0.18 -0.25 0.00 0.23 0.00 0.00 176.35 176.55 2b5i h ARG 85 N 4.72 -0.10 -5.78 0.00 2.47 -1.43 0.14 114.38 114.40 2b5i h ARG 85 Ca -0.46 0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.13 2b5i h ARG 85 Cb 1.15 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.50 2b5i h ARG 85 CO 0.43 -0.07 -0.83 -1.91 0.56 0.00 0.00 179.97 178.15 2b5i n GLU 86 N -3.37 -2.20 0.00 0.04 2.13 -1.26 -3.19 120.64 112.79 2b5i n GLU 86 Ca -0.01 1.86 0.00 0.00 0.66 0.00 0.00 57.16 59.67 2b5i n GLU 86 Cb 0.09 -4.08 0.00 0.00 0.27 0.00 0.00 31.44 27.71 2b5i n GLU 86 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b5i n GLY 87 N -0.05 3.32 0.14 8.31 0.00 -1.26 -3.27 105.19 112.38 2b5i n GLY 87 Ca 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2b5i n GLY 87 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2b5i h VAL 88 N 0.00 0.73 -0.93 1.61 2.07 -2.02 -3.46 116.25 114.25 2b5i h VAL 88 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2b5i h VAL 88 Cb 0.00 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2b5i h VAL 88 CO 0.00 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 175.48 2b5i n ARG 89 N -5.24 3.93 -4.44 1.57 1.85 -1.20 -5.14 116.66 107.99 2b5i n ARG 89 Ca -0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.59 2b5i n ARG 89 Cb 0.16 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.44 2b5i n ARG 89 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2b5i s TRP 90 N 2.94 1.68 -0.14 2.89 0.52 -1.19 -4.33 118.94 121.31 2b5i s TRP 90 Ca 0.00 -0.39 -0.02 0.00 0.02 0.00 0.00 56.10 55.71 2b5i s TRP 90 Cb 0.00 -0.97 -0.02 0.00 -1.15 0.00 0.00 33.47 31.33 2b5i s TRP 90 CO 0.00 0.12 -0.09 0.50 0.02 0.00 0.00 176.95 177.51 2b5i s ARG 91 N -1.48 3.46 -0.28 4.98 3.52 0.49 -4.95 118.95 124.69 2b5i s ARG 91 Ca 0.06 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 54.76 2b5i s ARG 91 Cb -0.09 -2.75 -0.00 0.00 -1.56 0.00 0.00 34.95 30.55 2b5i s ARG 91 CO 0.03 0.26 1.35 0.08 -0.81 0.00 0.00 175.30 176.21 2b5i s VAL 92 N 0.27 4.07 -0.15 7.11 1.01 -1.26 -1.46 120.40 129.99 2b5i s VAL 92 Ca -0.06 1.21 0.12 0.00 0.00 0.00 0.00 61.98 63.24 2b5i s VAL 92 Cb -0.15 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 31.92 2b5i s VAL 92 CO 0.04 -0.44 0.24 0.23 0.00 0.00 0.00 175.10 175.17 2b5i n MET 93 N 7.35 0.67 -3.72 2.72 0.00 0.14 -4.99 117.12 119.30 2b5i n MET 93 Ca 0.15 0.13 -0.14 0.00 0.00 0.00 0.00 57.70 57.85 2b5i n MET 93 Cb 0.46 -1.62 -0.08 0.00 0.00 0.00 0.00 33.22 31.98 2b5i n MET 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2b5i s ALA 94 N -2.53 -0.92 0.06 3.04 0.00 -1.19 -4.95 121.76 115.27 2b5i s ALA 94 Ca -0.13 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.26 2b5i s ALA 94 Cb 0.07 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 2b5i s ALA 94 CO 0.79 -0.32 -0.08 -1.50 0.00 0.00 0.00 175.76 174.65 2b5i s ILE 95 N -1.60 0.65 -0.22 0.00 2.07 -1.26 -1.72 121.20 119.11 2b5i s ILE 95 Ca -0.11 -1.38 -0.17 0.00 -1.41 0.00 0.00 60.65 57.57 2b5i s ILE 95 Cb -0.03 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.61 2b5i s ILE 95 CO 0.03 -0.53 0.57 -1.58 -1.91 0.00 0.00 174.94 171.52 2b5i s GLN 96 N -2.34 0.63 -0.56 3.50 0.74 -0.75 -5.02 119.66 115.85 2b5i s GLN 96 Ca -0.02 0.89 -0.18 0.00 0.05 0.00 0.00 55.36 56.10 2b5i s GLN 96 Cb -0.05 0.22 0.10 0.00 1.10 0.00 0.00 33.01 34.38 2b5i s GLN 96 CO -0.01 -0.11 0.65 -0.51 -0.55 0.00 0.00 175.29 174.76 2b5i s ASP 97 N 0.79 6.19 -0.38 6.67 1.01 -1.26 -0.96 116.67 128.74 2b5i s ASP 97 Ca -0.04 -1.37 -0.16 0.00 0.71 0.00 0.00 52.55 51.69 2b5i s ASP 97 Cb -0.05 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.60 2b5i s ASP 97 CO -0.06 -1.03 0.39 0.12 0.21 0.00 0.00 175.17 174.80 2b5i s PHE 98 N 2.51 3.20 -0.52 4.23 5.36 0.81 -4.91 117.98 128.66 2b5i s PHE 98 Ca 0.11 -0.20 -0.21 0.00 -0.96 0.00 0.00 56.93 55.66 2b5i s PHE 98 Cb -0.24 -2.75 0.05 0.00 -0.34 0.00 0.00 43.02 39.74 2b5i s PHE 98 CO 0.07 -0.55 0.76 0.15 -1.46 0.00 0.00 175.22 174.19 2b5i s LYS 99 N 2.04 3.22 0.23 10.12 1.02 -1.26 -0.62 119.74 134.49 2b5i s LYS 99 Ca 0.11 -0.60 -0.08 0.00 0.02 0.00 0.00 55.97 55.43 2b5i s LYS 99 Cb -0.17 -4.07 0.21 0.00 -0.52 0.00 0.00 37.83 33.28 2b5i s LYS 99 CO 0.12 -1.32 1.89 -1.35 -0.92 0.00 0.00 175.35 173.77 2b5i h PRO 100 N 9.12 1.21 0.00 -1.68 0.11 -1.87 0.17 132.00 139.07 2b5i h PRO 100 Ca -0.27 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2b5i h PRO 100 Cb 1.09 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2b5i h PRO 100 CO 1.01 0.84 0.00 1.19 -0.21 0.00 0.00 178.00 180.83 2b5i n PHE 101 N -4.41 0.00 1.01 0.65 3.01 -1.26 -1.86 117.46 114.60 2b5i n PHE 101 Ca 0.10 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.67 2b5i n PHE 101 Cb 0.04 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.45 2b5i n PHE 101 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2b5i n GLU 102 N -1.03 0.71 -3.00 -1.08 -0.58 0.04 -3.99 120.64 111.70 2b5i n GLU 102 Ca 0.19 -0.58 -0.20 0.00 -0.42 0.00 0.00 57.16 56.16 2b5i n GLU 102 Cb 0.10 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.46 2b5i n GLU 102 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2b5i n ASN 103 N -0.64 2.11 -4.79 1.62 3.02 -0.77 -0.63 115.26 115.17 2b5i n ASN 103 Ca 0.07 -3.19 -0.38 0.00 -0.03 0.00 0.00 54.58 51.05 2b5i n ASN 103 Cb 0.41 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 2b5i n ASN 103 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b5i s LEU 104 N -2.87 4.45 -0.16 3.41 1.43 -1.24 -0.60 118.68 123.11 2b5i s LEU 104 Ca 0.41 1.09 -0.05 0.00 -1.03 0.00 0.00 54.13 54.55 2b5i s LEU 104 Cb 0.35 -2.78 0.08 0.00 0.03 0.00 0.00 46.19 43.87 2b5i s LEU 104 CO -0.09 0.21 0.30 -0.60 0.23 0.00 0.00 176.35 176.41 2b5i s ARG 105 N -0.64 0.20 0.58 1.70 3.52 -0.51 -1.14 118.95 122.66 2b5i s ARG 105 Ca 0.27 0.76 -0.09 0.00 -0.13 0.00 0.00 55.73 56.55 2b5i s ARG 105 Cb -0.18 -0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.13 2b5i s ARG 105 CO 0.16 -0.33 0.95 -0.51 -0.81 0.00 0.00 175.30 174.76 2b5i s LEU 106 N 2.47 3.32 0.70 -0.88 1.02 -1.26 -3.87 118.68 120.18 2b5i s LEU 106 Ca 0.02 1.19 -0.16 0.00 0.02 0.00 0.00 54.13 55.19 2b5i s LEU 106 Cb -0.12 -4.17 0.02 0.00 0.02 0.00 0.00 46.19 41.93 2b5i s LEU 106 CO -0.10 -0.84 1.27 -0.04 0.02 0.00 0.00 176.35 176.66 2b5i s MET 107 N -5.05 2.22 0.33 1.70 -1.94 -1.26 -4.22 119.30 111.09 2b5i s MET 107 Ca 0.53 1.98 -0.29 0.00 -1.71 0.00 0.00 55.69 56.20 2b5i s MET 107 Cb -0.11 -1.82 -0.11 0.00 2.01 0.00 0.00 34.83 34.81 2b5i s MET 107 CO 0.50 -1.83 1.48 0.00 -0.01 0.00 0.00 175.02 175.17 2b5i s ALA 108 N -1.63 3.61 0.51 3.03 0.00 -1.26 -4.69 121.76 121.33 2b5i s ALA 108 Ca 0.80 1.50 -0.19 0.00 0.00 0.00 0.00 51.96 54.06 2b5i s ALA 108 Cb -0.35 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.07 2b5i s ALA 108 CO 0.44 -0.94 0.43 -2.30 0.00 0.00 0.00 175.76 173.38 2b5i n PRO 109 N 1.17 0.45 -4.37 0.00 -0.02 -1.26 -4.58 135.00 126.39 2b5i n PRO 109 Ca 0.03 0.17 -0.26 0.00 -2.02 0.00 0.00 63.50 61.43 2b5i n PRO 109 Cb 0.39 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 2b5i n PRO 109 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2b5i n ILE 110 N -1.40 0.00 -3.87 4.25 -5.35 0.63 -4.57 119.36 109.05 2b5i n ILE 110 Ca 0.11 -2.28 -0.28 0.00 -0.27 0.00 0.00 62.75 60.02 2b5i n ILE 110 Cb 0.45 0.73 0.03 0.00 -1.74 0.00 0.00 39.64 39.10 2b5i n ILE 110 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2b5i n SER 111 N -1.48 -3.83 -4.75 7.28 7.64 -1.26 -0.66 113.62 116.56 2b5i n SER 111 Ca -0.09 -0.80 -0.41 0.00 1.01 0.00 0.00 58.87 58.58 2b5i n SER 111 Cb 0.59 -3.88 -0.03 0.00 -1.01 0.00 0.00 64.21 59.89 2b5i n SER 111 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2b5i s LEU 112 N -7.14 4.42 0.08 -3.43 1.02 -1.26 -4.36 118.68 108.01 2b5i s LEU 112 Ca 0.50 2.52 -0.22 0.00 0.02 0.00 0.00 54.13 56.94 2b5i s LEU 112 Cb -0.25 -3.62 0.06 0.00 0.02 0.00 0.00 46.19 42.39 2b5i s LEU 112 CO 0.83 -0.54 0.54 0.00 0.02 0.00 0.00 176.35 177.19 2b5i s GLN 113 N -0.65 1.11 -0.15 1.70 -2.07 -0.90 -5.01 119.66 113.69 2b5i s GLN 113 Ca 0.55 -0.33 -0.29 0.00 -1.82 0.00 0.00 55.36 53.46 2b5i s GLN 113 Cb -0.38 0.51 -0.01 0.00 -1.09 0.00 0.00 33.01 32.04 2b5i s GLN 113 CO 0.43 -0.43 1.08 0.08 -1.32 0.00 0.00 175.29 175.13 2b5i s VAL 114 N -2.91 4.61 -0.04 3.63 1.01 -1.26 -1.82 120.40 123.62 2b5i s VAL 114 Ca -0.03 1.91 -0.20 0.00 0.00 0.00 0.00 61.98 63.66 2b5i s VAL 114 Cb -0.00 -4.23 -0.32 0.00 0.00 0.00 0.00 36.38 31.83 2b5i s VAL 114 CO -0.05 -0.07 0.88 0.58 0.00 0.00 0.00 175.10 176.43 2b5i h VAL 115 N 5.25 1.42 -1.25 2.92 2.07 -0.72 -3.48 116.25 122.45 2b5i h VAL 115 Ca -0.27 -2.55 0.14 0.00 0.82 0.00 0.00 66.70 64.83 2b5i h VAL 115 Cb 1.12 3.13 -0.22 0.00 -1.52 0.00 0.00 31.29 33.79 2b5i h VAL 115 CO 0.91 0.73 0.01 -2.28 0.02 0.00 0.00 177.57 176.97 2b5i s HIS 116 N -2.46 -1.04 -0.17 1.57 2.46 -1.00 -4.99 115.29 109.64 2b5i s HIS 116 Ca -0.13 1.58 -0.06 0.00 0.47 0.00 0.00 55.06 56.92 2b5i s HIS 116 Cb 0.02 0.54 -0.04 0.00 -0.13 0.00 0.00 32.58 32.97 2b5i s HIS 116 CO 0.85 -0.53 0.02 0.08 -2.47 0.00 0.00 174.74 172.68 2b5i s VAL 117 N 2.73 4.42 0.00 0.89 1.01 -1.26 -0.05 120.40 128.14 2b5i s VAL 117 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2b5i s VAL 117 Cb -0.10 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2b5i s VAL 117 CO -0.18 0.47 0.00 -0.62 0.00 0.00 0.00 175.10 174.77 2b5i n GLU 118 N 3.55 3.48 0.06 2.72 1.02 -0.37 -4.75 120.64 126.35 2b5i n GLU 118 Ca -0.17 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.88 2b5i n GLU 118 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.82 2b5i n GLU 118 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2b5i h THR 119 N 0.01 1.61 0.00 2.62 1.35 -1.89 -0.29 112.91 116.32 2b5i h THR 119 Ca 0.00 -3.30 0.00 0.00 -0.55 0.00 0.00 66.41 62.56 2b5i h THR 119 Cb 0.00 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 2b5i h THR 119 CO 0.00 0.93 0.00 1.41 -0.25 0.00 0.00 175.52 177.61 2b5i n HIS 120 N -3.36 0.00 -3.99 4.73 8.25 -1.26 -1.80 115.22 117.79 2b5i n HIS 120 Ca -0.03 -0.20 -0.08 0.00 -0.26 0.00 0.00 57.72 57.15 2b5i n HIS 120 Cb 0.96 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.97 2b5i n HIS 120 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2b5i s ARG 121 N -0.40 0.70 -0.28 -0.41 0.52 -1.26 -0.96 118.95 116.86 2b5i s ARG 121 Ca 0.00 -1.09 -0.17 0.00 -0.52 0.00 0.00 55.73 53.95 2b5i s ARG 121 Cb 0.00 0.26 0.08 0.00 0.52 0.00 0.00 34.95 35.81 2b5i s ARG 121 CO 0.00 -0.17 0.69 0.00 0.02 0.00 0.00 175.30 175.84 2b5i s ASN 123 N 1.51 5.44 -0.04 0.00 2.47 0.93 0.11 114.94 125.36 2b5i s ASN 123 Ca -0.09 -0.09 0.07 0.00 0.42 0.00 0.00 52.86 53.17 2b5i s ASN 123 Cb -0.05 -1.97 -0.02 0.00 -1.45 0.00 0.00 41.25 37.76 2b5i s ASN 123 CO -0.18 0.02 -0.25 -0.63 -3.72 0.00 0.00 177.10 172.34 2b5i s ILE 124 N 1.29 2.01 0.31 -5.21 1.01 -0.72 0.06 121.20 119.95 2b5i s ILE 124 Ca 0.05 -1.07 0.10 0.00 0.00 0.00 0.00 60.65 59.74 2b5i s ILE 124 Cb -0.15 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2b5i s ILE 124 CO 0.04 0.56 -0.09 -0.94 0.00 0.00 0.00 174.94 174.51 2b5i s SER 125 N -0.41 3.91 0.24 3.58 1.04 -0.76 -1.50 113.70 119.81 2b5i s SER 125 Ca 0.04 -1.00 -0.02 0.00 0.48 0.00 0.00 55.95 55.45 2b5i s SER 125 Cb -0.11 -0.45 -0.03 0.00 0.10 0.00 0.00 66.02 65.53 2b5i s SER 125 CO 0.01 -0.09 0.24 -1.66 0.98 0.00 0.00 173.24 172.71 2b5i s TRP 126 N -2.51 1.11 0.04 5.02 -2.14 -0.64 -2.12 118.94 117.70 2b5i s TRP 126 Ca 0.32 -1.31 0.07 0.00 2.66 0.00 0.00 56.10 57.85 2b5i s TRP 126 Cb -0.02 -0.42 -0.03 0.00 -3.10 0.00 0.00 33.47 29.90 2b5i s TRP 126 CO 0.17 -0.77 -0.21 -1.21 -2.66 0.00 0.00 176.95 172.27 2b5i s GLU 127 N -3.95 1.46 0.29 3.25 2.02 0.17 -4.81 118.70 117.12 2b5i s GLU 127 Ca 0.36 -0.95 -0.20 0.00 0.02 0.00 0.00 54.97 54.20 2b5i s GLU 127 Cb 0.04 -1.57 -0.09 0.00 0.10 0.00 0.00 34.13 32.61 2b5i s GLU 127 CO 0.14 0.40 0.79 0.96 0.02 0.00 0.00 175.26 177.58 2b5i s ILE 128 N -0.78 4.50 0.00 -1.63 -4.36 -1.26 -0.27 121.20 117.40 2b5i s ILE 128 Ca 0.08 1.33 0.00 0.00 -0.26 0.00 0.00 60.65 61.80 2b5i s ILE 128 Cb -0.09 -3.80 0.00 0.00 1.25 0.00 0.00 42.46 39.82 2b5i s ILE 128 CO 0.02 0.04 0.00 -0.24 0.24 0.00 0.00 174.94 175.00 2b5i n SER 129 N 0.28 0.00 -3.75 4.36 2.88 -1.26 -4.73 113.62 111.40 2b5i n SER 129 Ca 0.01 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 2b5i n SER 129 Cb 0.52 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.99 2b5i n SER 129 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b5i n GLN 130 N 0.00 4.76 -3.63 -1.46 6.02 -1.26 -4.94 117.38 116.87 2b5i n GLN 130 Ca 0.00 -4.26 -0.37 0.00 -0.01 0.00 0.00 57.00 52.35 2b5i n GLN 130 Cb 0.00 -2.57 -0.10 0.00 1.02 0.00 0.00 30.24 28.58 2b5i n GLN 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b5i s ALA 131 N -2.66 3.55 0.30 -1.58 0.00 -1.26 -4.14 121.76 115.97 2b5i s ALA 131 Ca 0.39 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 2b5i s ALA 131 Cb 0.13 -2.40 -0.13 0.00 0.00 0.00 0.00 23.12 20.72 2b5i s ALA 131 CO -0.03 -0.41 1.29 0.45 0.00 0.00 0.00 175.76 177.06 2b5i n SER 132 N 4.75 2.57 0.18 0.00 2.88 -1.26 -4.88 113.62 117.86 2b5i n SER 132 Ca -0.14 1.18 0.13 0.00 -1.33 0.00 0.00 58.87 58.71 2b5i n SER 132 Cb 0.52 -1.44 0.63 0.00 -0.75 0.00 0.00 64.21 63.17 2b5i n SER 132 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2b5i h HIS 133 N 2.97 0.00 0.00 0.66 2.07 -1.96 -2.69 115.15 116.20 2b5i h HIS 133 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 2b5i h HIS 133 Cb 1.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.27 2b5i h HIS 133 CO 0.52 0.00 -0.06 1.88 -3.07 0.00 0.00 177.93 177.20 2b5i h TYR 134 N 0.00 0.00 0.00 6.12 0.99 -1.96 -2.57 116.97 119.55 2b5i h TYR 134 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2b5i h TYR 134 Cb 0.15 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.88 2b5i h TYR 134 CO 0.00 0.06 0.00 0.74 -0.00 0.00 0.00 178.16 178.96 2b5i h PHE 135 N 0.00 0.00 0.00 4.88 0.04 -1.85 -3.48 116.94 116.53 2b5i h PHE 135 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2b5i h PHE 135 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2b5i h PHE 135 CO 0.00 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 175.80 2b5i n GLU 136 N -2.44 0.00 -0.13 1.51 2.13 -0.97 -0.08 120.64 120.66 2b5i n GLU 136 Ca 0.04 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.98 2b5i n GLU 136 Cb 0.41 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.38 2b5i n GLU 136 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2b5i n ARG 137 N 14.00 2.20 -1.51 5.31 1.74 -1.26 -4.72 116.66 132.42 2b5i n ARG 137 Ca 0.00 -1.80 -0.40 0.00 -0.77 0.00 0.00 57.85 54.88 2b5i n ARG 137 Cb 0.00 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 2b5i n ARG 137 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2b5i n HIS 138 N 1.03 2.82 -4.29 -1.55 8.25 0.88 -3.77 115.22 118.60 2b5i n HIS 138 Ca 0.18 -3.04 -0.15 0.00 -0.26 0.00 0.00 57.72 54.45 2b5i n HIS 138 Cb 0.50 -2.48 -0.10 0.00 1.12 0.00 0.00 29.99 29.03 2b5i n HIS 138 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2b5i s LEU 139 N 0.76 2.05 0.04 2.41 1.43 -1.26 -1.99 118.68 122.12 2b5i s LEU 139 Ca 0.61 -1.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2b5i s LEU 139 Cb 0.16 -0.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.24 2b5i s LEU 139 CO -0.07 -0.58 -0.02 -1.61 0.23 0.00 0.00 176.35 174.30 2b5i s GLU 140 N -3.92 0.52 0.08 1.70 2.02 -0.26 -3.64 118.70 115.21 2b5i s GLU 140 Ca 0.28 -1.00 0.02 0.00 0.02 0.00 0.00 54.97 54.29 2b5i s GLU 140 Cb 0.06 0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.44 2b5i s GLU 140 CO 0.07 -0.10 -0.07 -0.06 0.02 0.00 0.00 175.26 175.13 2b5i s PHE 141 N -3.09 0.86 -0.02 1.61 0.40 -0.31 -1.34 117.98 116.10 2b5i s PHE 141 Ca -0.01 -0.78 0.02 0.00 -0.60 0.00 0.00 56.93 55.56 2b5i s PHE 141 Cb 0.02 -0.49 0.00 0.00 0.51 0.00 0.00 43.02 43.06 2b5i s PHE 141 CO -0.07 -0.11 -0.06 -2.00 0.70 0.00 0.00 175.22 173.68 2b5i s GLU 142 N -3.13 0.62 0.27 0.44 2.12 -0.50 -1.25 118.70 117.27 2b5i s GLU 142 Ca 0.05 -0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.23 2b5i s GLU 142 Cb 0.00 -0.61 -0.06 0.00 0.26 0.00 0.00 34.13 33.73 2b5i s GLU 142 CO -0.03 0.09 -0.01 0.00 -0.54 0.00 0.00 175.26 174.77 2b5i s ALA 143 N 0.13 2.10 -0.02 6.30 0.00 -0.10 -0.81 121.76 129.36 2b5i s ALA 143 Ca -0.01 -1.87 -0.21 0.00 0.00 0.00 0.00 51.96 49.87 2b5i s ALA 143 Cb -0.06 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.52 2b5i s ALA 143 CO -0.00 -0.20 0.46 -0.98 0.00 0.00 0.00 175.76 175.04 2b5i s ARG 144 N -3.82 0.85 -0.13 0.00 1.70 -0.40 -0.20 118.95 116.95 2b5i s ARG 144 Ca 0.30 -0.05 0.02 0.00 -0.47 0.00 0.00 55.73 55.53 2b5i s ARG 144 Cb 0.06 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 2b5i s ARG 144 CO 0.11 -0.26 -0.21 0.99 -1.08 0.00 0.00 175.30 174.86 2b5i s THR 145 N -1.45 2.26 -0.37 4.99 2.01 -1.26 -1.83 115.64 119.98 2b5i s THR 145 Ca -0.11 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.72 2b5i s THR 145 Cb -0.03 -1.90 0.01 0.00 0.01 0.00 0.00 72.50 70.59 2b5i s THR 145 CO 0.05 0.55 0.81 -0.22 -0.69 0.00 0.00 174.62 175.11 2b5i s LEU 146 N 0.59 4.11 0.16 4.42 2.96 -0.10 -4.74 118.68 126.08 2b5i s LEU 146 Ca -0.12 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 2b5i s LEU 146 Cb -0.16 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 2b5i s LEU 146 CO 0.03 -0.76 0.14 -0.94 -1.32 0.00 0.00 176.35 173.50 2b5i s SER 147 N 1.87 5.58 0.54 3.68 1.04 -1.26 -1.72 113.70 123.42 2b5i s SER 147 Ca 0.32 -0.10 0.24 0.00 0.48 0.00 0.00 55.95 56.90 2b5i s SER 147 Cb -0.13 -1.48 1.41 0.00 0.10 0.00 0.00 66.02 65.93 2b5i s SER 147 CO 0.18 0.08 2.03 -0.65 0.98 0.00 0.00 173.24 175.85 2b5i h PRO 148 N 2.48 0.00 0.00 4.02 0.11 -1.98 -1.31 132.00 135.32 2b5i h PRO 148 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2b5i h PRO 148 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2b5i h PRO 148 CO 0.64 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.21 2b5i h GLY 149 N 0.00 0.00 -2.27 -0.55 0.00 -1.96 -3.48 103.07 94.82 2b5i h GLY 149 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.14 2b5i h GLY 149 CO -0.00 0.00 -0.62 0.30 0.00 0.00 0.00 176.54 176.22 2b5i s HIS 150 N -3.45 1.66 0.30 5.60 3.76 -0.49 -5.16 115.29 117.51 2b5i s HIS 150 Ca 0.04 -1.08 0.06 0.00 -0.15 0.00 0.00 55.06 53.92 2b5i s HIS 150 Cb 0.09 -1.01 -0.02 0.00 1.11 0.00 0.00 32.58 32.75 2b5i s HIS 150 CO 0.54 -0.20 0.44 0.95 -0.85 0.00 0.00 174.74 175.62 2b5i s THR 151 N -3.58 4.53 0.23 1.30 -4.23 -1.26 -4.58 115.64 108.04 2b5i s THR 151 Ca 0.36 -0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 59.85 2b5i s THR 151 Cb 0.08 -3.59 0.21 0.00 1.34 0.00 0.00 72.50 70.54 2b5i s THR 151 CO 0.13 -0.24 1.71 -0.50 -0.54 0.00 0.00 174.62 175.18 2b5i h TRP 152 N 0.97 0.33 -0.60 3.99 4.06 -1.95 -1.34 115.95 121.42 2b5i h TRP 152 Ca -0.48 0.04 0.04 0.00 2.06 0.00 0.00 58.89 60.55 2b5i h TRP 152 Cb 1.25 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 29.33 2b5i h TRP 152 CO 0.44 -0.02 0.40 0.93 -3.56 0.00 0.00 178.44 176.63 2b5i h GLU 153 N 0.32 0.64 0.00 0.49 3.07 -1.99 -1.29 114.58 115.82 2b5i h GLU 153 Ca 0.38 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 2b5i h GLU 153 Cb 0.61 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2b5i h GLU 153 CO -0.44 0.42 0.00 0.39 -1.40 0.00 0.00 179.01 177.98 2b5i n GLU 154 N -4.47 0.34 -2.76 2.33 1.02 -0.53 -4.86 120.64 111.70 2b5i n GLU 154 Ca 0.08 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 2b5i n GLU 154 Cb 0.18 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 2b5i n GLU 154 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b5i s ALA 155 N -2.63 3.28 0.42 0.62 0.00 -0.49 -4.93 121.76 118.03 2b5i s ALA 155 Ca 0.24 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.34 2b5i s ALA 155 Cb 0.18 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 2b5i s ALA 155 CO 0.43 -0.36 1.33 -2.30 0.00 0.00 0.00 175.76 174.86 2b5i n PRO 156 N 4.31 2.07 -2.68 0.00 -0.02 -1.26 -4.93 135.00 132.50 2b5i n PRO 156 Ca 0.06 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 2b5i n PRO 156 Cb 0.50 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 2b5i n PRO 156 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2b5i s LEU 157 N -1.91 4.24 -0.40 2.45 1.43 -1.26 -4.52 118.68 118.70 2b5i s LEU 157 Ca 0.60 1.53 -0.16 0.00 -1.03 0.00 0.00 54.13 55.07 2b5i s LEU 157 Cb -0.50 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.18 2b5i s LEU 157 CO 0.59 -0.47 0.37 -0.76 0.23 0.00 0.00 176.35 176.31 2b5i s LEU 158 N 2.11 4.85 -0.15 1.79 1.43 0.72 -4.95 118.68 124.48 2b5i s LEU 158 Ca 0.48 -0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 52.69 2b5i s LEU 158 Cb -0.18 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 2b5i s LEU 158 CO 0.17 -0.48 0.74 -0.89 0.23 0.00 0.00 176.35 176.12 2b5i s THR 159 N 1.96 4.96 -0.40 5.49 2.01 -1.26 -0.92 115.64 127.48 2b5i s THR 159 Ca 0.10 1.47 0.04 0.00 0.31 0.00 0.00 61.69 63.60 2b5i s THR 159 Cb -0.18 -4.06 0.11 0.00 0.01 0.00 0.00 72.50 68.38 2b5i s THR 159 CO 0.12 0.11 0.12 -0.76 -0.69 0.00 0.00 174.62 173.52 2b5i s LEU 160 N 1.73 4.50 -0.11 4.42 1.43 -0.38 -5.00 118.68 125.28 2b5i s LEU 160 Ca 0.36 -2.42 -0.04 0.00 -1.03 0.00 0.00 54.13 51.00 2b5i s LEU 160 Cb -0.17 -1.59 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 2b5i s LEU 160 CO 0.13 -0.33 2.93 0.29 0.23 0.00 0.00 176.35 179.60 2b5i n LYS 161 N 3.90 1.80 -3.60 1.70 5.02 -1.26 -1.16 118.16 124.56 2b5i n LYS 161 Ca 0.04 -1.03 -0.06 0.00 -2.02 0.00 0.00 58.31 55.24 2b5i n LYS 161 Cb 0.39 -1.74 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 2b5i n LYS 161 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2b5i s GLN 162 N 0.03 0.95 -0.64 1.97 0.00 -1.25 -4.98 119.66 115.75 2b5i s GLN 162 Ca 0.45 -0.43 -0.28 0.00 -0.00 0.00 0.00 55.36 55.11 2b5i s GLN 162 Cb 0.24 0.38 0.02 0.00 0.00 0.00 0.00 33.01 33.66 2b5i s GLN 162 CO -0.04 -0.42 1.33 0.21 0.00 0.00 0.00 175.29 176.37 2b5i s LYS 163 N -3.16 3.28 -0.04 9.60 2.20 -1.24 -4.30 119.74 126.09 2b5i s LYS 163 Ca 0.08 0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 55.83 2b5i s LYS 163 Cb -0.01 -4.13 0.03 0.00 -1.51 0.00 0.00 37.83 32.21 2b5i s LYS 163 CO -0.05 -1.99 0.02 -1.14 -0.36 0.00 0.00 175.35 171.83 2b5i s GLN 164 N 5.52 0.28 -0.38 4.03 0.74 -1.26 -5.04 119.66 123.54 2b5i s GLN 164 Ca 0.44 0.17 0.06 0.00 0.05 0.00 0.00 55.36 56.08 2b5i s GLN 164 Cb -0.09 -0.62 0.51 0.00 1.10 0.00 0.00 33.01 33.91 2b5i s GLN 164 CO 0.21 -0.23 1.59 0.39 -0.55 0.00 0.00 175.29 176.70 2b5i n GLU 165 N 4.73 2.35 -3.48 1.67 1.02 -1.26 -4.93 120.64 120.74 2b5i n GLU 165 Ca -0.15 -3.36 -0.10 0.00 -0.02 0.00 0.00 57.16 53.53 2b5i n GLU 165 Cb 0.50 -2.04 -0.02 0.00 -0.02 0.00 0.00 31.44 29.87 2b5i n GLU 165 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2b5i s TRP 166 N -3.43 -0.45 -0.03 -0.32 1.48 -1.26 -1.62 118.94 113.31 2b5i s TRP 166 Ca 0.51 0.24 -0.03 0.00 -1.06 0.00 0.00 56.10 55.76 2b5i s TRP 166 Cb 0.44 0.57 0.01 0.00 -1.16 0.00 0.00 33.47 33.32 2b5i s TRP 166 CO 0.02 -0.79 0.09 -1.50 -4.06 0.00 0.00 176.95 170.71 2b5i s ILE 167 N -3.56 0.00 -0.36 0.66 2.07 -0.56 -5.01 121.20 114.43 2b5i s ILE 167 Ca 0.03 -0.01 -0.10 0.00 -1.41 0.00 0.00 60.65 59.16 2b5i s ILE 167 Cb -0.01 -0.14 0.03 0.00 0.13 0.00 0.00 42.46 42.47 2b5i s ILE 167 CO -0.10 -0.00 0.19 0.00 -1.91 0.00 0.00 174.94 173.12 2b5i s LEU 169 N 1.54 4.15 0.45 0.00 1.43 0.12 -4.93 118.68 121.44 2b5i s LEU 169 Ca 0.02 1.26 0.08 0.00 -1.03 0.00 0.00 54.13 54.46 2b5i s LEU 169 Cb -0.19 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2b5i s LEU 169 CO 0.06 -0.50 0.44 -1.61 0.23 0.00 0.00 176.35 174.98 2b5i s GLU 170 N 2.52 2.52 -1.33 1.70 0.41 -1.26 -1.74 118.70 121.51 2b5i s GLU 170 Ca 0.41 -1.57 -0.06 0.00 -0.41 0.00 0.00 54.97 53.34 2b5i s GLU 170 Cb -0.16 -2.42 0.02 0.00 -1.78 0.00 0.00 34.13 29.79 2b5i s GLU 170 CO 0.11 -0.32 1.04 2.41 -0.49 0.00 0.00 175.26 178.01 2b5i n THR 171 N -1.68 -3.96 -3.18 3.63 -1.04 -1.13 -4.95 114.28 101.97 2b5i n THR 171 Ca 0.05 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 61.62 2b5i n THR 171 Cb 0.62 -4.11 0.00 0.00 -1.82 0.00 0.00 70.33 65.02 2b5i n THR 171 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2b5i s LEU 172 N -6.94 3.79 -0.15 -4.42 1.43 -0.14 -5.05 118.68 107.21 2b5i s LEU 172 Ca 0.35 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2b5i s LEU 172 Cb -0.16 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 2b5i s LEU 172 CO 0.75 -0.57 0.06 -0.89 0.23 0.00 0.00 176.35 175.94 2b5i s THR 173 N -2.41 4.79 0.69 5.49 2.01 -1.26 -4.35 115.64 120.60 2b5i s THR 173 Ca 0.46 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.25 2b5i s THR 173 Cb -0.10 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 2b5i s THR 173 CO 0.36 0.52 0.87 -2.65 -0.69 0.00 0.00 174.62 173.02 2b5i n PRO 174 N 2.96 0.54 -3.88 4.92 -0.02 -0.75 -3.73 135.00 135.04 2b5i n PRO 174 Ca -0.18 0.23 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 2b5i n PRO 174 Cb 0.53 -2.12 0.03 0.00 -0.02 0.00 0.00 33.50 31.92 2b5i n PRO 174 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2b5i n ASP 175 N -1.18 -4.26 -4.15 2.55 2.03 -0.44 -4.95 116.55 106.15 2b5i n ASP 175 Ca 0.13 -0.79 -0.26 0.00 0.52 0.00 0.00 54.79 54.39 2b5i n ASP 175 Cb 0.49 -3.91 -0.16 0.00 -0.72 0.00 0.00 41.12 36.82 2b5i n ASP 175 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2b5i s THR 176 N -3.36 1.48 -0.23 5.18 2.01 -1.24 -4.94 115.64 114.54 2b5i s THR 176 Ca 0.56 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 61.53 2b5i s THR 176 Cb -0.28 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 70.97 2b5i s THR 176 CO 0.83 0.42 0.97 -1.10 -0.69 0.00 0.00 174.62 175.06 2b5i s GLN 177 N -0.07 4.25 0.29 4.92 -1.52 -1.26 -1.97 119.66 124.30 2b5i s GLN 177 Ca -0.02 1.24 0.11 0.00 -1.95 0.00 0.00 55.36 54.74 2b5i s GLN 177 Cb -0.11 -3.64 -0.05 0.00 -0.22 0.00 0.00 33.01 29.00 2b5i s GLN 177 CO 0.02 -0.58 -0.16 0.71 -0.25 0.00 0.00 175.29 175.03 2b5i s TYR 178 N 3.03 2.36 0.18 0.91 1.51 0.15 -4.16 117.35 121.32 2b5i s TYR 178 Ca 0.41 -0.34 0.09 0.00 -1.01 0.00 0.00 57.07 56.23 2b5i s TYR 178 Cb -0.15 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 2b5i s TYR 178 CO 0.07 0.69 -0.20 -1.21 -1.11 0.00 0.00 175.55 173.79 2b5i s GLU 179 N -3.55 1.35 0.02 -0.62 2.02 -0.70 -1.32 118.70 115.91 2b5i s GLU 179 Ca 0.31 -1.45 0.02 0.00 0.02 0.00 0.00 54.97 53.87 2b5i s GLU 179 Cb -0.04 -1.47 -0.02 0.00 0.10 0.00 0.00 34.13 32.70 2b5i s GLU 179 CO 0.16 0.30 -0.06 0.12 0.02 0.00 0.00 175.26 175.80 2b5i s PHE 180 N -1.96 0.56 0.00 1.61 5.36 0.02 -0.92 117.98 122.65 2b5i s PHE 180 Ca 0.17 -0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 55.77 2b5i s PHE 180 Cb -0.06 -0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.27 2b5i s PHE 180 CO 0.08 -0.06 0.07 -0.65 -1.46 0.00 0.00 175.22 173.19 2b5i s GLN 181 N -0.99 0.36 0.01 10.12 -0.21 -0.76 -0.68 119.66 127.51 2b5i s GLN 181 Ca -0.06 -0.40 -0.06 0.00 0.02 0.00 0.00 55.36 54.86 2b5i s GLN 181 Cb -0.07 0.14 -0.00 0.00 1.00 0.00 0.00 33.01 34.08 2b5i s GLN 181 CO 0.00 -0.07 0.11 0.54 -2.12 0.00 0.00 175.29 173.74 2b5i s VAL 182 N -1.20 0.09 0.11 1.09 0.11 -1.26 -1.28 120.40 118.07 2b5i s VAL 182 Ca -0.13 -0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 58.10 2b5i s VAL 182 Cb -0.07 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 2b5i s VAL 182 CO 0.00 -0.43 0.13 0.00 -3.33 0.00 0.00 175.10 171.48 2b5i s ARG 183 N -1.55 0.91 0.10 1.54 1.70 0.01 -0.79 118.95 120.87 2b5i s ARG 183 Ca -0.14 -1.22 0.03 0.00 -0.47 0.00 0.00 55.73 53.94 2b5i s ARG 183 Cb -0.07 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 2b5i s ARG 183 CO 0.00 -0.27 -0.09 0.08 -1.08 0.00 0.00 175.30 173.94 2b5i s VAL 184 N -3.96 0.91 -0.16 4.99 1.01 -1.26 -1.41 120.40 120.52 2b5i s VAL 184 Ca 0.15 -1.69 -0.09 0.00 0.00 0.00 0.00 61.98 60.34 2b5i s VAL 184 Cb 0.06 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 35.08 2b5i s VAL 184 CO -0.04 -0.61 0.38 -0.75 0.00 0.00 0.00 175.10 174.08 2b5i s LYS 185 N -2.95 0.38 0.47 2.72 2.20 -0.45 -1.30 119.74 120.81 2b5i s LYS 185 Ca 0.06 0.70 -0.23 0.00 -0.36 0.00 0.00 55.97 56.15 2b5i s LYS 185 Cb -0.02 0.01 -0.07 0.00 -1.51 0.00 0.00 37.83 36.24 2b5i s LYS 185 CO -0.01 -0.14 1.19 -2.14 -0.36 0.00 0.00 175.35 173.90 2b5i s PRO 186 N 1.13 3.66 0.50 4.03 0.02 -1.26 -1.10 135.00 141.98 2b5i s PRO 186 Ca -0.08 1.85 0.28 0.00 0.02 0.00 0.00 61.00 63.07 2b5i s PRO 186 Cb -0.07 -2.38 1.17 0.00 0.02 0.00 0.00 34.50 33.23 2b5i s PRO 186 CO -0.09 -0.65 1.92 -0.07 -0.33 0.00 0.00 177.00 177.78 2b5i h LEU 187 N 1.96 0.00 -9.70 -5.54 3.38 -1.74 -3.46 115.31 100.21 2b5i h LEU 187 Ca -0.50 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.96 2b5i h LEU 187 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 2b5i h LEU 187 CO 0.60 0.13 0.28 -1.58 0.09 0.00 0.00 178.44 177.95 2b5i s GLN 188 N -3.73 4.71 0.00 1.13 0.74 -1.26 -4.97 119.66 116.27 2b5i s GLN 188 Ca 0.00 1.33 0.00 0.00 0.05 0.00 0.00 55.36 56.75 2b5i s GLN 188 Cb 0.10 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.92 2b5i s GLN 188 CO 0.59 0.47 0.00 0.41 -0.55 0.00 0.00 175.29 176.21 2b5i n GLY 189 N 1.71 3.04 0.09 2.59 0.00 -1.26 -4.69 105.19 106.68 2b5i n GLY 189 Ca -0.03 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 2b5i n GLY 189 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2b5i h GLU 190 N 0.00 0.14 -0.15 1.61 4.81 -1.82 -3.31 114.58 115.86 2b5i h GLU 190 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2b5i h GLU 190 Cb 0.00 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2b5i h GLU 190 CO 0.00 1.05 0.00 1.19 -0.73 0.00 0.00 179.01 180.52 2b5i n PHE 191 N -3.50 0.21 -1.69 0.92 3.72 0.20 -5.02 117.46 112.29 2b5i n PHE 191 Ca -0.04 -0.51 -0.44 0.00 -0.05 0.00 0.00 57.45 56.41 2b5i n PHE 191 Cb 0.92 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 39.40 2b5i n PHE 191 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2b5i n THR 192 N -0.08 1.18 -4.34 4.37 -1.04 -1.16 -4.58 114.28 108.63 2b5i n THR 192 Ca 0.05 -0.29 -0.18 0.00 -2.04 0.00 0.00 64.05 61.59 2b5i n THR 192 Cb 0.34 -1.57 -0.10 0.00 -1.82 0.00 0.00 70.33 67.18 2b5i n THR 192 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2b5i s THR 193 N -0.26 1.64 0.45 12.58 -4.23 -0.29 -4.92 115.64 120.59 2b5i s THR 193 Ca 0.65 -2.18 -0.22 0.00 -1.18 0.00 0.00 61.69 58.76 2b5i s THR 193 Cb -0.61 -2.05 -0.12 0.00 1.34 0.00 0.00 72.50 71.06 2b5i s THR 193 CO 0.52 -0.59 0.55 0.79 -0.54 0.00 0.00 174.62 175.34 2b5i n TRP 194 N -0.37 -0.51 -1.18 3.99 7.02 -1.26 -4.43 117.44 120.70 2b5i n TRP 194 Ca -0.08 0.57 -0.29 0.00 -1.02 0.00 0.00 57.50 56.68 2b5i n TRP 194 Cb 0.61 -1.99 0.17 0.00 -2.42 0.00 0.00 31.31 27.68 2b5i n TRP 194 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2b5i s SER 195 N -0.97 2.72 0.70 -0.99 1.04 -0.42 -4.72 113.70 111.05 2b5i s SER 195 Ca 0.64 1.21 -0.16 0.00 0.48 0.00 0.00 55.95 58.12 2b5i s SER 195 Cb -0.57 -1.88 0.02 0.00 0.10 0.00 0.00 66.02 63.69 2b5i s SER 195 CO 0.58 -3.08 1.23 -2.84 0.98 0.00 0.00 173.24 170.11 2b5i s PRO 196 N -4.97 2.29 0.55 4.02 0.02 -1.26 -4.67 135.00 130.98 2b5i s PRO 196 Ca 0.65 1.86 -0.21 0.00 0.02 0.00 0.00 61.00 63.32 2b5i s PRO 196 Cb -0.18 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 2b5i s PRO 196 CO 0.57 -1.74 1.21 0.91 -0.33 0.00 0.00 177.00 177.62 2b5i n TRP 197 N -2.43 1.77 -1.25 6.54 7.02 -1.26 -4.17 117.44 123.66 2b5i n TRP 197 Ca 0.14 0.45 -0.31 0.00 -1.02 0.00 0.00 57.50 56.76 2b5i n TRP 197 Cb 0.50 -2.28 0.11 0.00 -2.42 0.00 0.00 31.31 27.21 2b5i n TRP 197 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2b5i s SER 198 N -1.02 4.19 0.13 -0.99 1.04 0.03 -4.85 113.70 112.24 2b5i s SER 198 Ca 0.73 1.71 -0.35 0.00 0.48 0.00 0.00 55.95 58.52 2b5i s SER 198 Cb -0.43 -2.41 -0.15 0.00 0.10 0.00 0.00 66.02 63.14 2b5i s SER 198 CO 0.49 -2.22 1.53 0.00 0.98 0.00 0.00 173.24 174.02 2b5i n GLN 199 N -3.63 1.89 -1.70 4.02 1.13 -1.26 -4.67 117.38 113.16 2b5i n GLN 199 Ca 0.08 0.68 -0.44 0.00 -1.94 0.00 0.00 57.00 55.39 2b5i n GLN 199 Cb 0.54 -2.42 -0.03 0.00 0.11 0.00 0.00 30.24 28.43 2b5i n GLN 199 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2b5i n PRO 200 N 3.31 2.49 -3.42 -1.09 -0.04 -1.26 -4.83 135.00 130.15 2b5i n PRO 200 Ca 0.18 0.90 -0.41 0.00 -0.04 0.00 0.00 63.50 64.12 2b5i n PRO 200 Cb 0.26 -2.70 -0.10 0.00 -0.04 0.00 0.00 33.50 30.93 2b5i n PRO 200 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2b5i s LEU 201 N 0.89 4.49 0.13 1.53 2.96 0.14 -4.85 118.68 123.97 2b5i s LEU 201 Ca 0.75 -0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 54.10 2b5i s LEU 201 Cb -0.58 -2.30 -0.07 0.00 0.50 0.00 0.00 46.19 43.74 2b5i s LEU 201 CO 0.36 -0.33 0.79 0.00 -1.32 0.00 0.00 176.35 175.85 2b5i s ALA 202 N 1.96 3.41 0.20 5.97 0.00 -1.26 -0.80 121.76 131.24 2b5i s ALA 202 Ca 0.10 0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.25 2b5i s ALA 202 Cb -0.17 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 19.99 2b5i s ALA 202 CO 0.11 0.20 0.52 -0.59 0.00 0.00 0.00 175.76 176.01 2b5i s PHE 203 N -0.75 -0.06 -0.03 0.00 -0.12 -0.43 -5.00 117.98 111.58 2b5i s PHE 203 Ca 0.37 -0.29 0.01 0.00 -0.05 0.00 0.00 56.93 56.97 2b5i s PHE 203 Cb -0.22 0.37 0.02 0.00 -0.63 0.00 0.00 43.02 42.56 2b5i s PHE 203 CO 0.26 -0.93 -0.03 0.50 -0.05 0.00 0.00 175.22 174.96 2b5i s ARG 204 N -3.89 0.62 0.60 1.99 3.52 -1.26 -0.68 118.95 119.85 2b5i s ARG 204 Ca 0.11 -0.08 -0.18 0.00 -0.13 0.00 0.00 55.73 55.45 2b5i s ARG 204 Cb -0.01 -0.66 -0.03 0.00 -1.56 0.00 0.00 34.95 32.69 2b5i s ARG 204 CO -0.01 -0.05 1.20 0.95 -0.81 0.00 0.00 175.30 176.57 2b5i s THR 205 N 0.73 2.68 0.65 4.11 -4.23 -0.83 -4.91 115.64 113.83 2b5i s THR 205 Ca -0.09 0.41 -0.18 0.00 -1.18 0.00 0.00 61.69 60.65 2b5i s THR 205 Cb -0.12 -3.13 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 2b5i s THR 205 CO -0.00 -0.10 1.28 0.29 -0.54 0.00 0.00 174.62 175.54 2b5i n LYS 206 N -1.68 1.10 0.00 3.99 5.02 -0.12 -3.16 118.16 123.31 2b5i n LYS 206 Ca 0.13 0.43 0.02 0.00 -2.02 0.00 0.00 58.31 56.88 2b5i n LYS 206 Cb 0.50 -2.51 0.13 0.00 -0.02 0.00 0.00 35.03 33.12 2b5i n LYS 206 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58