#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5t s LYS 2 N 0.00 1.92 -0.35 0.03 1.02 -1.26 -5.08 119.74 116.01 2k5t s LYS 2 Ca 0.00 -1.34 -0.23 0.00 0.02 0.00 0.00 55.97 54.42 2k5t s LYS 2 Cb 0.00 -2.84 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2k5t s LYS 2 CO 0.00 -0.65 0.79 -1.17 -0.92 0.00 0.00 175.35 173.40 2k5t s LEU 3 N 1.16 4.12 -0.90 3.17 2.96 -1.26 -4.99 118.68 122.94 2k5t s LEU 3 Ca -0.04 0.42 -0.23 0.00 -0.22 0.00 0.00 54.13 54.06 2k5t s LEU 3 Cb -0.19 -3.04 0.06 0.00 0.50 0.00 0.00 46.19 43.52 2k5t s LEU 3 CO -0.06 -0.71 1.29 -0.89 -1.32 0.00 0.00 176.35 174.66 2k5t s THR 4 N 3.08 4.08 0.08 3.68 2.01 -1.21 -4.95 115.64 122.41 2k5t s THR 4 Ca 0.32 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.77 2k5t s THR 4 Cb -0.13 -4.93 -0.04 0.00 0.01 0.00 0.00 72.50 67.41 2k5t s THR 4 CO 0.16 -1.78 -0.11 0.27 -0.69 0.00 0.00 174.62 172.47 2k5t s ILE 5 N 4.58 3.32 0.02 1.82 -4.36 -1.26 -1.98 121.20 123.35 2k5t s ILE 5 Ca 0.38 -1.20 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 2k5t s ILE 5 Cb -0.05 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.13 2k5t s ILE 5 CO -0.02 0.18 -0.09 0.27 0.24 0.00 0.00 174.94 175.52 2k5t s ILE 6 N -1.15 0.68 0.07 8.37 -0.00 0.02 -4.95 121.20 124.24 2k5t s ILE 6 Ca 0.20 -0.70 -0.15 0.00 -0.00 0.00 0.00 60.65 60.00 2k5t s ILE 6 Cb -0.11 -0.64 -0.06 0.00 -0.00 0.00 0.00 42.46 41.65 2k5t s ILE 6 CO 0.12 -0.04 0.47 0.00 -0.00 0.00 0.00 174.94 175.49 2k5t s ARG 7 N -0.83 3.96 -0.68 0.37 1.70 -1.26 -0.21 118.95 122.00 2k5t s ARG 7 Ca -0.01 0.45 -0.26 0.00 -0.47 0.00 0.00 55.73 55.44 2k5t s ARG 7 Cb -0.06 -3.11 -0.02 0.00 -0.57 0.00 0.00 34.95 31.19 2k5t s ARG 7 CO 0.00 0.60 1.84 -0.51 -1.08 0.00 0.00 175.30 176.16 2k5t s LEU 8 N -1.46 3.26 -0.12 -1.89 2.01 0.90 -4.73 118.68 116.65 2k5t s LEU 8 Ca 0.30 0.09 -0.11 0.00 0.01 0.00 0.00 54.13 54.42 2k5t s LEU 8 Cb -0.16 -2.54 -0.26 0.00 0.01 0.00 0.00 46.19 43.24 2k5t s LEU 8 CO 0.17 -2.40 0.40 -0.33 1.01 0.00 0.00 176.35 175.19 2k5t h GLU 9 N 13.96 0.24 -4.21 1.70 4.39 -1.94 -3.41 114.58 125.30 2k5t h GLU 9 Ca -0.19 -0.40 -0.31 0.00 0.34 0.00 0.00 59.36 58.80 2k5t h GLU 9 Cb 1.13 0.15 -0.28 0.00 -0.10 0.00 0.00 28.75 29.64 2k5t h GLU 9 CO 1.22 1.19 -0.75 0.15 -1.16 0.00 0.00 179.01 179.67 2k5t s LYS 10 N -2.52 0.35 -0.77 2.33 1.02 -1.26 -5.05 119.74 113.85 2k5t s LYS 10 Ca -0.22 -0.17 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 2k5t s LYS 10 Cb 0.06 -0.33 0.17 0.00 -0.52 0.00 0.00 37.83 37.21 2k5t s LYS 10 CO 0.75 0.09 0.78 -0.06 -0.92 0.00 0.00 175.35 175.99 2k5t s PHE 11 N -0.14 3.47 0.28 3.18 0.08 -1.26 -5.03 117.98 118.56 2k5t s PHE 11 Ca 0.01 -1.64 -0.29 0.00 0.12 0.00 0.00 56.93 55.13 2k5t s PHE 11 Cb -0.02 -3.93 -0.10 0.00 -0.57 0.00 0.00 43.02 38.41 2k5t s PHE 11 CO -0.00 -1.13 1.17 -1.12 -0.10 0.00 0.00 175.22 174.05 2k5t s SER 12 N 2.84 7.10 0.23 1.36 0.01 -1.26 -4.92 113.70 119.06 2k5t s SER 12 Ca 0.17 2.39 -0.08 0.00 1.31 0.00 0.00 55.95 59.74 2k5t s SER 12 Cb -0.14 -2.63 0.23 0.00 0.21 0.00 0.00 66.02 63.69 2k5t s SER 12 CO -0.05 -0.29 1.89 0.44 0.41 0.00 0.00 173.24 175.64 2k5t h ASP 13 N 3.89 0.95 -0.89 2.44 3.32 -1.98 0.11 116.42 124.26 2k5t h ASP 13 Ca -0.47 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 2k5t h ASP 13 Cb 1.22 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 2k5t h ASP 13 CO 0.68 0.67 0.49 1.56 -1.72 0.00 0.00 179.24 180.91 2k5t h GLN 14 N 1.11 1.25 -0.02 3.56 4.20 -1.99 -0.12 115.11 123.10 2k5t h GLN 14 Ca 0.33 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 2k5t h GLN 14 Cb -0.06 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.46 2k5t h GLN 14 CO -0.09 0.91 -0.61 -0.44 -0.67 0.00 0.00 178.83 177.93 2k5t h ASP 15 N 1.25 0.10 0.34 1.46 3.32 -1.72 -1.54 116.42 119.63 2k5t h ASP 15 Ca 0.31 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 2k5t h ASP 15 Cb 0.03 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2k5t h ASP 15 CO -0.05 0.69 -0.43 0.03 -1.72 0.00 0.00 179.24 177.75 2k5t h ARG 16 N 0.06 0.12 -0.25 3.56 3.08 -0.07 0.41 114.38 121.30 2k5t h ARG 16 Ca -0.01 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 2k5t h ARG 16 Cb 1.10 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2k5t h ARG 16 CO 0.09 0.53 -0.46 0.82 -1.07 0.00 0.00 179.97 179.88 2k5t h ILE 17 N 0.10 1.30 -0.58 2.04 2.04 -0.70 -2.26 117.51 119.45 2k5t h ILE 17 Ca 0.01 -1.66 -0.06 0.00 1.00 0.00 0.00 64.86 64.15 2k5t h ILE 17 Cb 0.81 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 2k5t h ILE 17 CO 0.06 0.53 0.12 -0.78 0.00 0.00 0.00 178.15 178.08 2k5t h ASP 18 N 0.52 0.90 -0.56 1.72 1.82 -0.75 -1.64 116.42 118.43 2k5t h ASP 18 Ca 0.03 -0.25 0.01 0.00 -0.39 0.00 0.00 57.03 56.43 2k5t h ASP 18 Cb 1.00 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.74 2k5t h ASP 18 CO 0.09 0.92 0.37 -0.07 -1.61 0.00 0.00 179.24 178.94 2k5t h LEU 19 N 0.85 0.64 -1.31 2.28 3.38 -0.85 -0.14 115.31 120.16 2k5t h LEU 19 Ca 0.18 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2k5t h LEU 19 Cb 0.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2k5t h LEU 19 CO 0.01 0.46 -0.25 -0.61 0.09 0.00 0.00 178.44 178.14 2k5t h GLN 20 N 0.76 0.00 0.00 1.13 4.15 -0.76 -1.39 115.11 119.00 2k5t h GLN 20 Ca 0.21 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.53 2k5t h GLN 20 Cb -0.08 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 2k5t h GLN 20 CO -0.05 0.25 -0.48 0.87 -1.93 0.00 0.00 178.83 177.50 2k5t h LYS 21 N 0.00 0.00 -0.19 1.69 1.57 -0.14 -3.03 116.57 116.47 2k5t h LYS 21 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2k5t h LYS 21 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2k5t h LYS 21 CO 0.03 0.48 -0.35 0.82 -0.57 0.00 0.00 179.45 179.86 2k5t h ILE 22 N 0.00 1.33 -3.45 1.86 2.04 -0.66 -3.40 117.51 115.24 2k5t h ILE 22 Ca -0.00 -1.58 -0.68 0.00 1.00 0.00 0.00 64.86 63.59 2k5t h ILE 22 Cb 1.01 1.87 -0.37 0.00 -0.74 0.00 0.00 36.82 38.59 2k5t h ILE 22 CO 0.06 0.49 -0.37 0.26 0.00 0.00 0.00 178.15 178.59 2k5t s TRP 23 N -4.08 3.46 -1.05 1.37 0.51 -0.78 -4.84 118.94 113.53 2k5t s TRP 23 Ca -0.13 -2.91 0.29 0.00 -2.12 0.00 0.00 56.10 51.23 2k5t s TRP 23 Cb 0.07 -3.10 1.18 0.00 -0.81 0.00 0.00 33.47 30.81 2k5t s TRP 23 CO 0.82 -0.78 1.88 -0.35 -0.51 0.00 0.00 176.95 178.01 2k5t n PRO 24 N 3.07 0.06 -0.29 4.98 -0.04 -1.23 -3.30 135.00 138.25 2k5t n PRO 24 Ca 0.11 -0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2k5t n PRO 24 Cb 0.36 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.59 2k5t n PRO 24 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k5t n GLU 25 N -1.47 2.64 -4.55 0.54 1.02 -1.26 -4.90 120.64 112.66 2k5t n GLU 25 Ca 0.08 -2.47 -0.23 0.00 -0.02 0.00 0.00 57.16 54.52 2k5t n GLU 25 Cb 0.33 -1.51 -0.16 0.00 -0.02 0.00 0.00 31.44 30.07 2k5t n GLU 25 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2k5t s TYR 26 N -1.14 1.31 -0.07 -0.32 5.04 -1.21 -5.11 117.35 115.86 2k5t s TYR 26 Ca 0.43 -0.41 -0.30 0.00 -2.44 0.00 0.00 57.07 54.34 2k5t s TYR 26 Cb 0.23 -0.94 -0.04 0.00 0.35 0.00 0.00 41.96 41.55 2k5t s TYR 26 CO 0.31 -0.20 1.44 0.45 -1.34 0.00 0.00 175.55 176.21 2k5t s SER 27 N 0.42 6.82 -0.34 4.32 0.15 -1.26 -4.91 113.70 118.90 2k5t s SER 27 Ca -0.09 2.03 -0.29 0.00 0.70 0.00 0.00 55.95 58.30 2k5t s SER 27 Cb -0.13 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.56 2k5t s SER 27 CO 0.02 -0.80 2.28 -0.81 1.20 0.00 0.00 173.24 175.14 2k5t n PRO 28 N 6.32 1.49 -2.13 5.44 -0.04 -1.26 -4.96 135.00 139.85 2k5t n PRO 28 Ca 0.15 0.33 -0.28 0.00 -0.04 0.00 0.00 63.50 63.66 2k5t n PRO 28 Cb 0.44 -3.07 0.17 0.00 -0.04 0.00 0.00 33.50 30.99 2k5t n PRO 28 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2k5t s SER 29 N 9.12 3.39 0.53 3.54 0.01 -1.26 -4.95 113.70 124.07 2k5t s SER 29 Ca 1.03 0.04 0.20 0.00 1.31 0.00 0.00 55.95 58.53 2k5t s SER 29 Cb -0.43 -0.15 1.38 0.00 0.21 0.00 0.00 66.02 67.03 2k5t s SER 29 CO 0.36 -2.54 2.15 0.28 0.41 0.00 0.00 173.24 173.91 2k5t h SER 30 N -1.36 0.00 -4.51 2.44 0.02 -2.03 -3.48 113.55 104.63 2k5t h SER 30 Ca -0.42 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.54 2k5t h SER 30 Cb 1.24 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.69 2k5t h SER 30 CO 0.37 0.04 -1.13 0.18 -1.14 0.00 0.00 176.83 175.14 2k5t n LEU 31 N -4.28 -5.37 -4.14 5.07 4.77 -1.26 -5.07 117.00 106.72 2k5t n LEU 31 Ca -0.03 1.63 -0.18 0.00 -0.03 0.00 0.00 56.01 57.40 2k5t n LEU 31 Cb 0.12 -2.73 -0.12 0.00 -2.33 0.00 0.00 43.42 38.35 2k5t n LEU 31 CO 0.32 -2.94 -0.45 0.00 -1.33 0.00 0.00 177.39 172.99 2k5t s GLN 32 N -0.84 0.80 0.38 3.23 -2.07 -1.26 -4.95 119.66 114.94 2k5t s GLN 32 Ca -0.18 -0.85 0.05 0.00 -1.82 0.00 0.00 55.36 52.56 2k5t s GLN 32 Cb 0.01 -0.77 -0.02 0.00 -1.09 0.00 0.00 33.01 31.15 2k5t s GLN 32 CO 0.60 0.18 0.17 1.33 -1.32 0.00 0.00 175.29 176.24 2k5t n VAL 33 N 1.52 0.00 -3.60 3.63 0.24 -1.26 -4.99 118.33 113.88 2k5t n VAL 33 Ca -0.20 -2.30 0.00 0.00 -2.04 0.00 0.00 64.34 59.80 2k5t n VAL 33 Cb 0.54 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 2k5t n VAL 33 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k5t n ASP 34 N -1.59 0.00 0.11 -1.34 -0.08 0.13 -4.95 116.55 108.82 2k5t n ASP 34 Ca -0.03 -0.92 0.01 0.00 -1.51 0.00 0.00 54.79 52.34 2k5t n ASP 34 Cb 0.59 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.03 2k5t n ASP 34 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2k5t h ASP 35 N 0.00 0.00 0.19 1.67 3.58 -2.00 -3.29 116.42 116.57 2k5t h ASP 35 Ca 0.00 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.19 2k5t h ASP 35 Cb 0.00 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 2k5t h ASP 35 CO 0.00 0.57 -2.06 -0.46 -2.88 0.00 0.00 179.24 174.41 2k5t n ASN 36 N -3.16 0.27 -4.18 2.28 0.23 -1.26 -4.79 115.26 104.64 2k5t n ASN 36 Ca -0.01 0.12 -0.40 0.00 -0.53 0.00 0.00 54.58 53.76 2k5t n ASN 36 Cb 0.78 0.88 -0.08 0.00 -2.08 0.00 0.00 39.78 39.28 2k5t n ASN 36 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 2k5t s HIS 37 N -2.75 3.49 0.37 -2.53 2.46 -1.24 0.29 115.29 115.37 2k5t s HIS 37 Ca -0.08 -2.22 0.08 0.00 0.47 0.00 0.00 55.06 53.32 2k5t s HIS 37 Cb 0.08 -3.42 -0.06 0.00 -0.13 0.00 0.00 32.58 29.05 2k5t s HIS 37 CO 0.84 -0.95 0.03 1.03 -2.47 0.00 0.00 174.74 173.22 2k5t s ARG 38 N 0.74 2.04 -0.03 2.88 0.52 -0.38 0.17 118.95 124.90 2k5t s ARG 38 Ca 0.11 -1.86 0.03 0.00 -0.52 0.00 0.00 55.73 53.49 2k5t s ARG 38 Cb -0.22 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.40 2k5t s ARG 38 CO -0.03 0.06 -0.12 0.42 0.02 0.00 0.00 175.30 175.64 2k5t s ILE 39 N -2.58 1.04 -0.20 1.52 1.01 -1.26 -1.15 121.20 119.58 2k5t s ILE 39 Ca 0.36 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 2k5t s ILE 39 Cb 0.03 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.54 2k5t s ILE 39 CO 0.19 0.31 0.14 -0.31 0.00 0.00 0.00 174.94 175.28 2k5t s TYR 40 N 0.13 3.40 -0.25 3.97 1.51 0.57 -0.07 117.35 126.60 2k5t s TYR 40 Ca -0.03 0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 56.32 2k5t s TYR 40 Cb -0.10 -2.19 0.01 0.00 -0.11 0.00 0.00 41.96 39.58 2k5t s TYR 40 CO 0.01 0.25 -0.02 0.00 -1.11 0.00 0.00 175.55 174.67 2k5t s ALA 41 N 0.49 2.81 -0.38 3.71 0.00 0.71 -1.33 121.76 127.76 2k5t s ALA 41 Ca 0.08 -1.39 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 2k5t s ALA 41 Cb -0.12 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.22 2k5t s ALA 41 CO -0.01 -0.75 0.61 0.00 0.00 0.00 0.00 175.76 175.61 2k5t s ALA 42 N 1.40 3.43 -0.16 0.00 0.00 0.81 -0.80 121.76 126.44 2k5t s ALA 42 Ca 0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 2k5t s ALA 42 Cb -0.16 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2k5t s ALA 42 CO -0.03 -1.45 -0.10 0.50 0.00 0.00 0.00 175.76 174.68 2k5t s ARG 43 N 2.66 3.38 -0.98 0.00 3.52 -0.84 0.39 118.95 127.08 2k5t s ARG 43 Ca 0.22 -0.66 -0.13 0.00 -0.13 0.00 0.00 55.73 55.03 2k5t s ARG 43 Cb -0.15 -2.77 0.22 0.00 -1.56 0.00 0.00 34.95 30.69 2k5t s ARG 43 CO 0.16 0.06 1.02 0.12 -0.81 0.00 0.00 175.30 175.84 2k5t s PHE 44 N 0.77 3.81 0.00 5.12 5.36 0.13 -3.34 117.98 129.82 2k5t s PHE 44 Ca -0.04 -2.15 0.00 0.00 -0.96 0.00 0.00 56.93 53.78 2k5t s PHE 44 Cb -0.15 -3.96 0.00 0.00 -0.34 0.00 0.00 43.02 38.57 2k5t s PHE 44 CO 0.01 -1.10 0.00 0.09 -1.46 0.00 0.00 175.22 172.76 2k5t n ASN 45 N 4.14 0.00 -0.08 6.13 3.02 -1.26 -2.32 115.26 124.89 2k5t n ASN 45 Ca 0.21 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.66 2k5t n ASN 45 Cb 0.44 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.54 2k5t n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k5t n GLU 46 N 0.00 0.51 -3.68 3.52 1.02 -1.26 -5.00 120.64 115.75 2k5t n GLU 46 Ca 0.00 0.08 -0.35 0.00 -0.02 0.00 0.00 57.16 56.87 2k5t n GLU 46 Cb 0.00 -1.32 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 2k5t n GLU 46 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2k5t s ARG 47 N -2.32 4.20 -0.18 3.49 1.81 -0.98 -5.03 118.95 119.94 2k5t s ARG 47 Ca -0.20 -0.14 -0.29 0.00 -1.72 0.00 0.00 55.73 53.37 2k5t s ARG 47 Cb 0.05 -3.42 -0.04 0.00 -0.45 0.00 0.00 34.95 31.09 2k5t s ARG 47 CO 0.38 0.28 1.71 -0.51 -0.68 0.00 0.00 175.30 176.48 2k5t s LEU 48 N 0.41 3.94 -0.11 2.53 1.43 -1.26 0.18 118.68 125.80 2k5t s LEU 48 Ca 0.10 1.81 0.18 0.00 -1.03 0.00 0.00 54.13 55.19 2k5t s LEU 48 Cb -0.12 -3.53 -0.25 0.00 0.03 0.00 0.00 46.19 42.33 2k5t s LEU 48 CO -0.00 -1.28 0.33 -0.11 0.23 0.00 0.00 176.35 175.52 2k5t n LEU 49 N 8.56 0.22 -3.68 1.79 7.94 0.16 -4.79 117.00 127.21 2k5t n LEU 49 Ca 0.20 0.10 -0.11 0.00 -1.11 0.00 0.00 56.01 55.09 2k5t n LEU 49 Cb 0.45 0.29 -0.06 0.00 0.53 0.00 0.00 43.42 44.63 2k5t n LEU 49 CO 0.65 0.32 0.11 0.00 -1.11 0.00 0.00 177.39 177.37 2k5t s ALA 50 N -2.79 -0.84 -0.08 1.96 0.00 -1.01 -1.46 121.76 117.53 2k5t s ALA 50 Ca -0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 2k5t s ALA 50 Cb 0.08 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2k5t s ALA 50 CO 0.84 -0.55 0.33 0.00 0.00 0.00 0.00 175.76 176.38 2k5t s ALA 51 N -3.31 -0.82 -0.08 0.00 0.00 -0.85 -0.13 121.76 116.57 2k5t s ALA 51 Ca 0.00 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 2k5t s ALA 51 Cb 0.01 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2k5t s ALA 51 CO -0.08 -0.20 0.29 0.54 0.00 0.00 0.00 175.76 176.31 2k5t s VAL 52 N -0.45 0.02 0.07 0.00 0.11 -0.44 -2.06 120.40 117.65 2k5t s VAL 52 Ca -0.06 -0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 58.74 2k5t s VAL 52 Cb -0.04 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 2k5t s VAL 52 CO 0.02 -0.11 0.32 -0.13 -3.33 0.00 0.00 175.10 171.87 2k5t s ARG 53 N -0.39 3.61 -0.06 1.54 0.52 -0.40 -0.32 118.95 123.45 2k5t s ARG 53 Ca -0.05 -0.07 -0.03 0.00 -0.52 0.00 0.00 55.73 55.06 2k5t s ARG 53 Cb -0.03 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.49 2k5t s ARG 53 CO 0.02 0.57 0.12 0.54 0.02 0.00 0.00 175.30 176.56 2k5t s VAL 54 N -1.45 -0.18 -0.34 3.52 0.11 -0.30 -2.32 120.40 119.44 2k5t s VAL 54 Ca 0.33 0.36 -0.06 0.00 -2.93 0.00 0.00 61.98 59.68 2k5t s VAL 54 Cb -0.13 -0.23 0.05 0.00 -1.53 0.00 0.00 36.38 34.54 2k5t s VAL 54 CO 0.20 0.15 0.11 -0.89 -3.33 0.00 0.00 175.10 171.34 2k5t s THR 55 N 2.07 3.70 -0.39 5.04 2.01 0.13 -1.24 115.64 126.96 2k5t s THR 55 Ca 0.02 -1.21 -0.22 0.00 0.31 0.00 0.00 61.69 60.59 2k5t s THR 55 Cb -0.12 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.27 2k5t s THR 55 CO -0.05 -0.21 0.70 -0.76 -0.69 0.00 0.00 174.62 173.61 2k5t s LEU 56 N 1.38 4.26 -0.69 4.42 1.43 0.15 0.28 118.68 129.90 2k5t s LEU 56 Ca -0.01 0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2k5t s LEU 56 Cb -0.20 -2.87 0.17 0.00 0.03 0.00 0.00 46.19 43.32 2k5t s LEU 56 CO 0.02 -0.71 0.50 -0.55 0.23 0.00 0.00 176.35 175.84 2k5t s SER 57 N 1.89 5.18 1.33 2.29 0.15 0.21 -4.73 113.70 120.02 2k5t s SER 57 Ca 0.27 -3.27 0.00 0.00 0.70 0.00 0.00 55.95 53.65 2k5t s SER 57 Cb -0.14 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 2k5t s SER 57 CO 0.17 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2k5t n GLY 58 N 2.87 1.39 0.76 9.45 0.00 -1.26 -0.83 105.19 117.57 2k5t n GLY 58 Ca 0.13 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.39 2k5t n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k5t n THR 59 N 0.00 0.10 -3.79 2.61 -2.24 -1.26 -4.84 114.28 104.85 2k5t n THR 59 Ca 0.00 -0.55 -0.37 0.00 -2.27 0.00 0.00 64.05 60.86 2k5t n THR 59 Cb 0.00 1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 2k5t n THR 59 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k5t s GLU 60 N -1.47 3.64 -0.28 -0.78 2.12 -0.01 -2.53 118.70 119.39 2k5t s GLU 60 Ca 0.23 -0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.53 2k5t s GLU 60 Cb 0.16 -3.24 0.07 0.00 0.26 0.00 0.00 34.13 31.38 2k5t s GLU 60 CO 0.23 0.68 -0.08 0.20 -0.54 0.00 0.00 175.26 175.75 2k5t s GLY 61 N -0.77 1.72 -0.53 -1.50 0.00 0.15 0.65 107.32 107.03 2k5t s GLY 61 Ca 0.15 -1.93 -0.20 0.00 0.00 0.00 0.00 44.72 42.74 2k5t s GLY 61 CO 0.04 0.68 0.71 0.00 0.00 0.00 0.00 173.10 174.53 2k5t s ALA 62 N 1.06 3.34 -0.20 3.20 0.00 0.14 0.15 121.76 129.46 2k5t s ALA 62 Ca -0.05 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.12 2k5t s ALA 62 Cb -0.20 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 2k5t s ALA 62 CO -0.06 -2.15 0.06 -1.17 0.00 0.00 0.00 175.76 172.44 2k5t s LEU 63 N 2.94 3.69 0.32 0.00 0.20 0.07 0.23 118.68 126.12 2k5t s LEU 63 Ca 0.18 0.00 -0.03 0.00 0.69 0.00 0.00 54.13 54.97 2k5t s LEU 63 Cb -0.19 -1.94 -0.00 0.00 -0.43 0.00 0.00 46.19 43.63 2k5t s LEU 63 CO 0.12 0.12 0.44 1.51 -0.29 0.00 0.00 176.35 178.26 2k5t s ASP 64 N 0.66 0.77 -0.43 3.68 1.47 -0.98 -1.64 116.67 120.20 2k5t s ASP 64 Ca 0.03 -1.42 -0.26 0.00 1.18 0.00 0.00 52.55 52.08 2k5t s ASP 64 Cb -0.13 0.63 0.04 0.00 -0.34 0.00 0.00 42.92 43.11 2k5t s ASP 64 CO 0.02 -1.23 0.61 -1.20 0.68 0.00 0.00 175.17 174.05 2k5t n SER 65 N -1.20 -6.84 -4.11 2.11 7.64 -1.25 -1.28 113.62 108.69 2k5t n SER 65 Ca 0.01 0.24 -0.33 0.00 1.01 0.00 0.00 58.87 59.81 2k5t n SER 65 Cb 0.62 -3.66 -0.16 0.00 -1.01 0.00 0.00 64.21 60.00 2k5t n SER 65 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2k5t s LEU 66 N -2.49 2.07 -0.04 -3.43 2.96 -1.26 -2.14 118.68 114.36 2k5t s LEU 66 Ca 0.30 -0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2k5t s LEU 66 Cb -0.05 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.23 2k5t s LEU 66 CO 0.81 -0.00 0.06 -0.60 -1.32 0.00 0.00 176.35 175.29 2k5t s ARG 67 N 1.27 -0.05 0.04 1.98 3.52 -0.87 -5.04 118.95 119.80 2k5t s ARG 67 Ca 0.04 0.32 0.05 0.00 -0.13 0.00 0.00 55.73 56.00 2k5t s ARG 67 Cb -0.13 -0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 32.83 2k5t s ARG 67 CO -0.12 -0.26 -0.06 0.08 -0.81 0.00 0.00 175.30 174.12 2k5t s VAL 68 N 1.74 3.63 0.37 7.11 1.01 -1.26 -2.00 120.40 130.99 2k5t s VAL 68 Ca -0.01 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 2k5t s VAL 68 Cb -0.12 -2.64 -0.11 0.00 0.00 0.00 0.00 36.38 33.51 2k5t s VAL 68 CO -0.03 0.27 1.48 -0.13 0.00 0.00 0.00 175.10 176.69 2k5t s ARG 69 N -1.77 4.13 0.51 2.72 0.52 -0.53 -4.85 118.95 119.67 2k5t s ARG 69 Ca 0.20 2.55 0.27 0.00 -0.52 0.00 0.00 55.73 58.23 2k5t s ARG 69 Cb -0.11 -2.98 1.38 0.00 0.52 0.00 0.00 34.95 33.76 2k5t s ARG 69 CO 0.11 -0.52 1.91 0.93 0.02 0.00 0.00 175.30 177.76 2k5t h GLU 70 N 3.17 0.08 0.00 3.54 3.07 -1.98 0.34 114.58 122.80 2k5t h GLU 70 Ca -0.50 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 2k5t h GLU 70 Cb 1.24 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 2k5t h GLU 70 CO 0.65 0.05 0.00 0.28 -1.40 0.00 0.00 179.01 178.60 2k5t h VAL 71 N 0.08 0.00 -0.30 3.13 2.07 -1.99 -2.75 116.25 116.49 2k5t h VAL 71 Ca 0.38 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k5t h VAL 71 Cb 1.40 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2k5t h VAL 71 CO -0.04 0.00 0.00 0.41 0.02 0.00 0.00 177.57 177.96 2k5t n THR 72 N -2.64 0.39 -2.33 2.57 -1.04 0.12 -4.91 114.28 106.44 2k5t n THR 72 Ca 0.02 -0.58 -0.41 0.00 -2.04 0.00 0.00 64.05 61.04 2k5t n THR 72 Cb 0.31 0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 69.49 2k5t n THR 72 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2k5t s ARG 73 N -1.61 4.46 -0.70 -2.82 3.52 -1.04 -3.23 118.95 117.52 2k5t s ARG 73 Ca 0.36 1.92 -0.03 0.00 -0.13 0.00 0.00 55.73 57.85 2k5t s ARG 73 Cb 0.20 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 2k5t s ARG 73 CO 0.29 -0.14 0.61 -2.13 -0.81 0.00 0.00 175.30 173.11 2k5t n ARG 74 N 2.60 -4.06 0.00 5.12 3.00 -1.26 -4.94 116.66 117.12 2k5t n ARG 74 Ca 0.05 0.45 0.00 0.00 -0.00 0.00 0.00 57.85 58.35 2k5t n ARG 74 Cb 0.44 -4.32 0.00 0.00 0.00 0.00 0.00 32.46 28.58 2k5t n ARG 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k5t n ARG 75 N -2.85 -0.06 0.00 -0.14 1.74 -1.20 -5.01 116.66 109.14 2k5t n ARG 75 Ca -0.05 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 2k5t n ARG 75 Cb 0.55 -0.63 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 2k5t n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k5t n GLY 76 N -0.02 2.57 0.26 -0.13 0.00 -1.26 -4.84 105.19 101.76 2k5t n GLY 76 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2k5t n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k5t h VAL 77 N 0.00 1.01 -0.97 1.61 2.07 -1.95 -1.72 116.25 116.29 2k5t h VAL 77 Ca 0.00 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.32 2k5t h VAL 77 Cb 0.00 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 2k5t h VAL 77 CO 0.00 0.13 0.63 1.23 0.02 0.00 0.00 177.57 179.59 2k5t h GLY 78 N 0.72 1.42 0.92 2.17 0.00 -1.88 -1.72 103.07 104.71 2k5t h GLY 78 Ca 0.28 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2k5t h GLY 78 CO -0.15 0.39 0.11 -1.61 0.00 0.00 0.00 176.54 175.27 2k5t h GLN 79 N 1.19 0.32 -0.85 4.80 4.15 -1.74 -2.70 115.11 120.27 2k5t h GLN 79 Ca 0.40 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.82 2k5t h GLN 79 Cb 0.06 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.64 2k5t h GLN 79 CO -0.13 0.33 0.54 -0.92 -1.93 0.00 0.00 178.83 176.72 2k5t h TYR 80 N 0.23 1.00 -0.17 3.99 3.20 -0.81 0.13 116.97 124.53 2k5t h TYR 80 Ca 0.08 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.01 2k5t h TYR 80 Cb 0.12 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2k5t h TYR 80 CO -0.02 0.53 -0.04 1.25 -1.64 0.00 0.00 178.16 178.24 2k5t h LEU 81 N 1.00 -0.15 -0.76 2.82 5.85 -1.14 0.11 115.31 123.04 2k5t h LEU 81 Ca 0.36 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 59.09 2k5t h LEU 81 Cb 0.11 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2k5t h LEU 81 CO -0.15 -0.05 0.31 -0.07 -0.34 0.00 0.00 178.44 178.14 2k5t h LEU 82 N 0.00 1.04 -0.89 2.25 -0.00 -1.06 -2.59 115.31 114.06 2k5t h LEU 82 Ca 0.08 -0.17 -0.08 0.00 -0.00 0.00 0.00 57.88 57.71 2k5t h LEU 82 Cb 0.12 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.49 2k5t h LEU 82 CO -0.17 0.92 -0.07 -0.33 -0.00 0.00 0.00 178.44 178.79 2k5t h GLU 83 N 1.09 0.74 -0.87 1.13 5.08 -0.49 -2.57 114.58 118.69 2k5t h GLU 83 Ca 0.25 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2k5t h GLU 83 Cb 0.20 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2k5t h GLU 83 CO -0.02 0.80 0.46 0.93 -1.00 0.00 0.00 179.01 180.18 2k5t h GLU 84 N 0.68 1.22 0.44 2.33 4.39 -0.48 0.11 114.58 123.28 2k5t h GLU 84 Ca 0.12 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2k5t h GLU 84 Cb 0.53 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2k5t h GLU 84 CO 0.03 0.90 -0.21 0.28 -1.16 0.00 0.00 179.01 178.85 2k5t h VAL 85 N 1.22 0.57 0.00 3.13 2.07 -1.10 -2.25 116.25 119.89 2k5t h VAL 85 Ca 0.30 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2k5t h VAL 85 Cb 0.05 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2k5t h VAL 85 CO -0.05 0.01 0.00 0.18 0.02 0.00 0.00 177.57 177.74 2k5t n LEU 86 N -5.33 0.00 -0.05 2.57 4.32 -1.01 -1.60 117.00 115.90 2k5t n LEU 86 Ca -0.11 0.23 -0.15 0.00 -0.02 0.00 0.00 56.01 55.95 2k5t n LEU 86 Cb 0.26 -0.23 -0.13 0.00 -1.62 0.00 0.00 43.42 41.70 2k5t n LEU 86 CO 0.36 -0.06 0.30 -0.09 -1.22 0.00 0.00 177.39 176.68 2k5t h ARG 87 N 0.00 0.06 -0.00 3.23 2.43 -0.22 -3.33 114.38 116.55 2k5t h ARG 87 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2k5t h ARG 87 Cb 0.17 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2k5t h ARG 87 CO 0.00 1.05 -0.32 0.27 -1.51 0.00 0.00 179.97 179.46 2k5t n ASN 88 N -4.50 0.51 -4.71 -3.80 0.23 -0.91 -4.90 115.26 97.18 2k5t n ASN 88 Ca -0.11 -0.30 -0.60 0.00 -0.53 0.00 0.00 54.58 53.04 2k5t n ASN 88 Cb 0.56 0.06 -0.08 0.00 -2.08 0.00 0.00 39.78 38.24 2k5t n ASN 88 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k5t n ASN 89 N -1.26 2.01 0.14 0.53 5.15 -0.63 -4.92 115.26 116.28 2k5t n ASN 89 Ca 0.08 1.11 -0.06 0.00 -0.60 0.00 0.00 54.58 55.11 2k5t n ASN 89 Cb 0.33 -1.07 -0.03 0.00 -0.53 0.00 0.00 39.78 38.48 2k5t n ASN 89 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2k5t h PRO 90 N 6.46 -0.41 -0.06 1.20 0.11 -1.90 -3.45 132.00 133.96 2k5t h PRO 90 Ca -0.46 0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.51 2k5t h PRO 90 Cb 1.33 0.09 -0.21 0.00 0.11 0.00 0.00 31.00 32.33 2k5t h PRO 90 CO 0.95 -0.27 -0.50 0.41 -0.21 0.00 0.00 178.00 178.38 2k5t n GLY 91 N 0.62 1.32 3.42 -0.55 0.00 -1.26 -5.06 105.19 103.67 2k5t n GLY 91 Ca -0.05 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 2k5t n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5t s VAL 92 N -0.48 5.24 -0.27 1.61 1.01 -1.26 -4.76 120.40 121.48 2k5t s VAL 92 Ca 0.12 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.30 2k5t s VAL 92 Cb 0.26 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.47 2k5t s VAL 92 CO -0.08 -0.48 0.32 -1.20 0.00 0.00 0.00 175.10 173.67 2k5t n SER 93 N 5.21 1.35 -4.26 3.32 7.64 -1.13 -4.83 113.62 120.92 2k5t n SER 93 Ca -0.12 -0.44 -0.43 0.00 1.01 0.00 0.00 58.87 58.89 2k5t n SER 93 Cb 0.45 1.17 -0.05 0.00 -1.01 0.00 0.00 64.21 64.76 2k5t n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k5t s TRP 95 N 0.71 3.21 -0.33 0.00 0.52 0.46 0.29 118.94 123.81 2k5t s TRP 95 Ca 0.12 0.02 -0.10 0.00 0.02 0.00 0.00 56.10 56.15 2k5t s TRP 95 Cb -0.20 -2.64 0.00 0.00 -1.15 0.00 0.00 33.47 29.48 2k5t s TRP 95 CO -0.04 -0.40 0.17 -0.46 0.02 0.00 0.00 176.95 176.25 2k5t s TRP 96 N 2.00 3.20 -0.22 -1.98 -0.11 0.12 -0.70 118.94 121.25 2k5t s TRP 96 Ca 0.12 -0.65 -0.06 0.00 1.22 0.00 0.00 56.10 56.73 2k5t s TRP 96 Cb -0.16 -2.38 -0.03 0.00 -1.50 0.00 0.00 33.47 29.40 2k5t s TRP 96 CO 0.11 -0.50 0.03 -1.64 -4.62 0.00 0.00 176.95 170.34 2k5t s MET 97 N 1.60 3.64 0.34 5.86 -1.94 0.82 -0.75 119.30 128.88 2k5t s MET 97 Ca 0.04 -0.50 0.06 0.00 -1.71 0.00 0.00 55.69 53.58 2k5t s MET 97 Cb -0.18 -3.19 -0.07 0.00 2.01 0.00 0.00 34.83 33.40 2k5t s MET 97 CO 0.07 -0.07 0.01 0.00 -0.01 0.00 0.00 175.02 175.02 2k5t s ALA 98 N 1.26 2.65 -0.01 3.03 0.00 -0.65 -0.87 121.76 127.16 2k5t s ALA 98 Ca 0.04 -2.11 -0.03 0.00 0.00 0.00 0.00 51.96 49.86 2k5t s ALA 98 Cb -0.15 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 2k5t s ALA 98 CO 0.02 -0.18 0.45 -0.44 0.00 0.00 0.00 175.76 175.61 2k5t h ASP 99 N 2.03 -0.09 -0.94 0.00 3.32 -1.87 -3.40 116.42 115.46 2k5t h ASP 99 Ca -0.42 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.23 2k5t h ASP 99 Cb 1.24 0.02 -0.16 0.00 0.22 0.00 0.00 39.33 40.65 2k5t h ASP 99 CO 0.73 -0.01 -0.37 0.00 -1.72 0.00 0.00 179.24 177.87 2k5t n ALA 100 N -2.15 -0.30 0.00 3.45 0.00 -1.26 -2.23 120.51 118.02 2k5t n ALA 100 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2k5t n ALA 100 Cb 0.04 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2k5t n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5t n GLY 101 N -0.51 1.14 3.56 0.00 0.00 -1.26 -4.83 105.19 103.29 2k5t n GLY 101 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2k5t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5t s VAL 102 N -0.23 3.31 -0.45 1.61 1.01 -0.95 -4.76 120.40 119.94 2k5t s VAL 102 Ca 0.00 0.22 0.23 0.00 0.00 0.00 0.00 61.98 62.42 2k5t s VAL 102 Cb 0.00 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2k5t s VAL 102 CO 0.00 -0.67 0.99 -0.62 0.00 0.00 0.00 175.10 174.80 2k5t n GLU 103 N 9.02 0.41 -1.13 2.72 1.02 -1.26 -4.40 120.64 127.02 2k5t n GLU 103 Ca 0.24 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.15 2k5t n GLU 103 Cb 0.52 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 30.18 2k5t n GLU 103 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k5t n ASP 104 N -2.18 6.73 -0.09 1.62 9.92 -1.26 -4.62 116.55 126.68 2k5t n ASP 104 Ca 0.01 -2.52 -0.09 0.00 -0.53 0.00 0.00 54.79 51.66 2k5t n ASP 104 Cb 0.48 -1.48 -0.02 0.00 -0.64 0.00 0.00 41.12 39.47 2k5t n ASP 104 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2k5t h ARG 105 N 3.84 0.40 -0.26 -1.24 3.08 -1.99 -2.21 114.38 116.00 2k5t h ARG 105 Ca 0.48 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.55 2k5t h ARG 105 Cb 1.00 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.91 2k5t h ARG 105 CO 0.89 0.28 -0.04 0.78 -1.07 0.00 0.00 179.97 180.80 2k5t h GLY 106 N 0.41 0.22 0.96 0.04 0.00 -1.98 0.42 103.07 103.14 2k5t h GLY 106 Ca 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2k5t h GLY 106 CO -0.02 -0.08 0.17 -2.08 0.00 0.00 0.00 176.54 174.52 2k5t h VAL 107 N 0.03 1.12 0.00 4.60 2.07 -1.91 -2.66 116.25 119.50 2k5t h VAL 107 Ca 0.13 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2k5t h VAL 107 Cb 0.18 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2k5t h VAL 107 CO -0.25 0.12 -0.19 0.24 0.02 0.00 0.00 177.57 177.52 2k5t h MET 108 N 0.37 0.00 -0.52 1.57 2.07 -1.05 -2.46 114.93 114.91 2k5t h MET 108 Ca 0.11 0.00 -0.11 0.00 -2.07 0.00 0.00 59.70 57.62 2k5t h MET 108 Cb 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.77 2k5t h MET 108 CO -0.02 0.19 -0.12 1.15 1.07 0.00 0.00 176.91 179.18 2k5t h THR 109 N 0.00 1.27 -0.63 2.22 2.02 0.01 0.14 112.91 117.94 2k5t h THR 109 Ca -0.00 -1.27 -0.08 0.00 0.77 0.00 0.00 66.41 65.83 2k5t h THR 109 Cb 1.08 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2k5t h THR 109 CO 0.02 0.45 0.07 0.00 0.37 0.00 0.00 175.52 176.43 2k5t h ALA 110 N 0.91 0.94 0.10 6.16 0.00 -1.34 0.14 119.26 126.18 2k5t h ALA 110 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k5t h ALA 110 Cb 0.68 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2k5t h ALA 110 CO 0.05 0.65 -0.11 0.35 0.00 0.00 0.00 179.25 180.19 2k5t h PHE 111 N 0.97 -0.28 0.00 0.00 3.57 -1.14 -2.12 116.94 117.94 2k5t h PHE 111 Ca 0.19 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2k5t h PHE 111 Cb 0.46 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2k5t h PHE 111 CO 0.03 -0.17 -0.39 0.52 -2.23 0.00 0.00 178.31 176.07 2k5t h MET 112 N -0.24 0.00 -0.25 1.11 2.86 -0.54 -2.15 114.93 115.72 2k5t h MET 112 Ca 0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2k5t h MET 112 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2k5t h MET 112 CO -0.03 0.39 -0.21 0.37 1.06 0.00 0.00 176.91 178.49 2k5t h GLN 113 N 0.00 0.45 -0.06 1.72 4.15 -0.52 0.22 115.11 121.07 2k5t h GLN 113 Ca -0.00 -0.15 -0.16 0.00 0.77 0.00 0.00 58.65 59.11 2k5t h GLN 113 Cb 0.85 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 2k5t h GLN 113 CO 0.05 0.64 -0.65 0.00 -1.93 0.00 0.00 178.83 176.94 2k5t h ALA 114 N 1.38 0.78 -0.00 3.38 0.00 -0.77 -2.75 119.26 121.28 2k5t h ALA 114 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k5t h ALA 114 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k5t h ALA 114 CO 0.04 0.76 -0.08 1.28 0.00 0.00 0.00 179.25 181.25 2k5t n LEU 115 N -3.84 0.34 -0.84 0.00 4.32 -0.90 -4.93 117.00 111.14 2k5t n LEU 115 Ca -0.03 0.07 -0.02 0.00 -0.02 0.00 0.00 56.01 56.02 2k5t n LEU 115 Cb 0.65 -0.20 0.01 0.00 -1.62 0.00 0.00 43.42 42.26 2k5t n LEU 115 CO 0.45 0.06 0.02 0.61 -1.22 0.00 0.00 177.39 177.32 2k5t n GLY 116 N 1.27 0.76 3.86 -0.72 0.00 -0.09 -5.05 105.19 105.21 2k5t n GLY 116 Ca 0.15 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 2k5t n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5t s PHE 117 N -3.03 3.61 0.09 1.61 0.08 0.57 -5.01 117.98 115.90 2k5t s PHE 117 Ca 0.05 0.89 -0.11 0.00 0.12 0.00 0.00 56.93 57.88 2k5t s PHE 117 Cb -0.02 -2.24 -0.06 0.00 -0.57 0.00 0.00 43.02 40.13 2k5t s PHE 117 CO 0.07 0.52 0.43 0.95 -0.10 0.00 0.00 175.22 177.09 2k5t s THR 118 N -1.36 5.04 -0.06 0.64 -4.23 -1.25 -4.60 115.64 109.81 2k5t s THR 118 Ca 0.33 0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 61.31 2k5t s THR 118 Cb -0.15 -3.67 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 2k5t s THR 118 CO 0.18 0.30 0.25 0.42 -0.54 0.00 0.00 174.62 175.22 2k5t s THR 119 N -1.39 5.32 0.00 3.99 -4.23 -1.26 -1.67 115.64 116.40 2k5t s THR 119 Ca 0.33 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 2k5t s THR 119 Cb -0.14 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.17 2k5t s THR 119 CO 0.18 0.57 0.00 0.00 -0.54 0.00 0.00 174.62 174.83 2k5t n GLN 120 N 1.81 2.60 -2.75 3.99 1.13 -0.36 -4.87 117.38 118.93 2k5t n GLN 120 Ca -0.17 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.47 2k5t n GLN 120 Cb 0.54 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.86 2k5t n GLN 120 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2k5t s GLN 121 N -1.03 3.32 0.00 -1.09 -2.07 -1.26 -3.96 119.66 113.57 2k5t s GLN 121 Ca 0.00 -0.94 0.00 0.00 -1.82 0.00 0.00 55.36 52.60 2k5t s GLN 121 Cb 0.00 -4.57 0.00 0.00 -1.09 0.00 0.00 33.01 27.35 2k5t s GLN 121 CO 0.00 -1.96 0.00 0.41 -1.32 0.00 0.00 175.29 172.42 2k5t n GLY 122 N 5.66 0.73 0.00 2.60 0.00 -1.26 -5.02 105.19 107.90 2k5t n GLY 122 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2k5t n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5t n GLY 123 N -0.38 0.55 3.47 -0.02 0.00 -1.25 -4.96 105.19 102.61 2k5t n GLY 123 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 2k5t n GLY 123 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k5t s TRP 124 N -1.97 2.50 -0.22 1.61 0.51 -0.05 -1.23 118.94 120.08 2k5t s TRP 124 Ca 0.00 -0.28 -0.14 0.00 -2.12 0.00 0.00 56.10 53.56 2k5t s TRP 124 Cb 0.00 -1.34 0.07 0.00 -0.81 0.00 0.00 33.47 31.39 2k5t s TRP 124 CO 0.00 0.37 0.56 -2.00 -0.51 0.00 0.00 176.95 175.36 2k5t s GLU 125 N -2.07 0.58 -0.02 4.98 2.12 -0.67 -0.13 118.70 123.49 2k5t s GLU 125 Ca 0.17 0.96 0.01 0.00 0.36 0.00 0.00 54.97 56.47 2k5t s GLU 125 Cb -0.10 0.12 0.02 0.00 0.26 0.00 0.00 34.13 34.42 2k5t s GLU 125 CO 0.09 -0.14 -0.02 0.21 -0.54 0.00 0.00 175.26 174.87 2k5t s LYS 126 N 1.24 0.39 -0.24 4.30 2.20 0.12 -3.88 119.74 123.87 2k5t s LYS 126 Ca -0.08 -0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.55 2k5t s LYS 126 Cb -0.06 -0.49 0.05 0.00 -1.51 0.00 0.00 37.83 35.82 2k5t s LYS 126 CO -0.12 -0.07 -0.13 0.00 -0.36 0.00 0.00 175.35 174.67