#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 3.75 -0.28 0.03 2.20 -1.26 -5.01 119.74 119.17 2k5t s LYS 2 Ca 0.00 0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.55 2k5t s LYS 2 Cb 0.00 -2.61 -0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2k5t s LYS 2 CO 0.00 0.23 1.30 -1.17 -0.36 0.00 0.00 175.35 175.35 2k5t s LEU 3 N -3.18 3.93 -0.95 5.43 2.96 -1.26 -4.87 118.68 120.73 2k5t s LEU 3 Ca 0.47 1.29 -0.19 0.00 -0.22 0.00 0.00 54.13 55.48 2k5t s LEU 3 Cb -0.11 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.16 2k5t s LEU 3 CO 0.25 -1.03 1.18 -0.89 -1.32 0.00 0.00 176.35 174.54 2k5t s THR 4 N 4.24 4.64 -0.13 3.68 2.01 -1.13 -4.96 115.64 123.99 2k5t s THR 4 Ca 0.56 -1.53 -0.13 0.00 0.31 0.00 0.00 61.69 60.90 2k5t s THR 4 Cb -0.17 -4.82 -0.05 0.00 0.01 0.00 0.00 72.50 67.47 2k5t s THR 4 CO 0.22 -1.56 0.29 -0.51 -0.69 0.00 0.00 174.62 172.36 2k5t s ILE 5 N 2.91 5.29 -0.00 1.82 2.07 -1.26 -1.23 121.20 130.80 2k5t s ILE 5 Ca 0.35 0.55 0.07 0.00 -1.41 0.00 0.00 60.65 60.21 2k5t s ILE 5 Cb -0.04 -3.62 -0.02 0.00 0.13 0.00 0.00 42.46 38.91 2k5t s ILE 5 CO -0.09 0.44 -0.22 0.27 -1.91 0.00 0.00 174.94 173.43 2k5t s ILE 6 N 0.09 1.78 -0.06 2.00 -0.00 0.28 -4.95 121.20 120.33 2k5t s ILE 6 Ca 0.17 -1.03 -0.30 0.00 -0.00 0.00 0.00 60.65 59.50 2k5t s ILE 6 Cb -0.13 -1.49 -0.02 0.00 -0.00 0.00 0.00 42.46 40.81 2k5t s ILE 6 CO 0.05 0.44 1.03 0.00 -0.00 0.00 0.00 174.94 176.46 2k5t s ARG 7 N -0.68 4.46 -0.82 0.37 1.70 -1.26 -0.96 118.95 121.75 2k5t s ARG 7 Ca 0.09 1.44 -0.23 0.00 -0.47 0.00 0.00 55.73 56.56 2k5t s ARG 7 Cb -0.09 -3.51 0.07 0.00 -0.57 0.00 0.00 34.95 30.85 2k5t s ARG 7 CO -0.00 -0.25 1.19 -0.51 -1.08 0.00 0.00 175.30 174.65 2k5t s LEU 8 N 1.71 4.04 0.00 -1.89 1.43 -0.30 -4.67 118.68 118.99 2k5t s LEU 8 Ca 0.51 -1.20 0.10 0.00 -1.03 0.00 0.00 54.13 52.50 2k5t s LEU 8 Cb -0.20 -2.48 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 2k5t s LEU 8 CO 0.22 -1.47 0.50 -0.62 0.23 0.00 0.00 176.35 175.21 2k5t n GLU 9 N 8.12 3.14 -4.20 1.70 1.02 -1.26 -4.47 120.64 124.68 2k5t n GLU 9 Ca 0.12 -0.20 -0.16 0.00 -0.02 0.00 0.00 57.16 56.90 2k5t n GLU 9 Cb 0.48 -1.02 -0.14 0.00 -0.02 0.00 0.00 31.44 30.74 2k5t n GLU 9 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2k5t s LYS 10 N -1.78 0.52 -0.16 3.49 2.20 -1.26 -4.95 119.74 117.81 2k5t s LYS 10 Ca 0.05 -0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.35 2k5t s LYS 10 Cb 0.08 -0.48 0.04 0.00 -1.51 0.00 0.00 37.83 35.96 2k5t s LYS 10 CO 0.37 0.13 -0.04 -0.06 -0.36 0.00 0.00 175.35 175.38 2k5t s PHE 11 N -0.32 1.55 0.32 4.03 0.08 -1.26 -5.07 117.98 117.31 2k5t s PHE 11 Ca 0.01 -0.96 0.06 0.00 0.12 0.00 0.00 56.93 56.16 2k5t s PHE 11 Cb -0.03 -1.25 -0.01 0.00 -0.57 0.00 0.00 43.02 41.16 2k5t s PHE 11 CO -0.00 -0.58 0.45 -1.12 -0.10 0.00 0.00 175.22 173.86 2k5t s SER 12 N 1.68 6.04 0.31 1.36 0.01 -1.26 -4.99 113.70 116.84 2k5t s SER 12 Ca 0.01 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 2k5t s SER 12 Cb -0.15 -1.35 0.47 0.00 0.21 0.00 0.00 66.02 65.20 2k5t s SER 12 CO -0.08 -0.36 1.97 0.44 0.41 0.00 0.00 173.24 175.63 2k5t h ASP 13 N 0.95 0.92 -0.24 2.44 3.32 -1.99 -1.57 116.42 120.25 2k5t h ASP 13 Ca -0.47 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 56.61 2k5t h ASP 13 Cb 1.25 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 2k5t h ASP 13 CO 0.54 0.67 -0.06 1.56 -1.72 0.00 0.00 179.24 180.23 2k5t h GLN 14 N 1.09 0.00 -0.44 3.56 4.20 -1.99 0.84 115.11 122.37 2k5t h GLN 14 Ca 0.30 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.90 2k5t h GLN 14 Cb -0.11 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2k5t h GLN 14 CO -0.07 0.00 -0.15 -0.44 -0.67 0.00 0.00 178.83 177.50 2k5t h ASP 15 N 0.00 0.83 -0.46 1.46 5.19 -1.82 -2.22 116.42 119.40 2k5t h ASP 15 Ca 0.12 -0.27 -0.12 0.00 -0.62 0.00 0.00 57.03 56.13 2k5t h ASP 15 Cb 0.18 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 2k5t h ASP 15 CO -0.25 0.99 -0.20 0.03 -3.12 0.00 0.00 179.24 176.69 2k5t h ARG 16 N 0.74 0.95 -0.60 3.56 3.08 -0.84 -1.89 114.38 119.39 2k5t h ARG 16 Ca 0.12 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 2k5t h ARG 16 Cb 0.66 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2k5t h ARG 16 CO 0.05 1.07 0.29 0.82 -1.07 0.00 0.00 179.97 181.13 2k5t h ILE 17 N 0.80 1.19 -0.43 2.04 2.04 -0.70 -1.13 117.51 121.32 2k5t h ILE 17 Ca 0.11 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 2k5t h ILE 17 Cb 0.77 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2k5t h ILE 17 CO 0.06 0.22 0.12 -0.78 0.00 0.00 0.00 178.15 177.77 2k5t h ASP 18 N 0.84 0.64 -0.83 1.72 1.82 -1.02 -0.36 116.42 119.22 2k5t h ASP 18 Ca 0.21 -0.22 -0.04 0.00 -0.39 0.00 0.00 57.03 56.59 2k5t h ASP 18 Cb 0.07 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 39.88 2k5t h ASP 18 CO -0.03 0.69 0.36 -0.07 -1.61 0.00 0.00 179.24 178.59 2k5t h LEU 19 N 0.55 1.12 -0.65 2.28 3.38 -0.95 -1.08 115.31 119.95 2k5t h LEU 19 Ca 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k5t h LEU 19 Cb 0.30 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2k5t h LEU 19 CO -0.00 0.96 0.00 1.56 0.09 0.00 0.00 178.44 181.05 2k5t h GLN 20 N 1.20 0.00 0.00 1.13 4.20 -0.89 0.21 115.11 120.96 2k5t h GLN 20 Ca 0.28 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.80 2k5t h GLN 20 Cb 0.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2k5t h GLN 20 CO -0.03 0.00 -1.15 -0.22 -0.67 0.00 0.00 178.83 176.77 2k5t h LYS 21 N 0.00 0.00 0.16 1.46 3.64 0.10 -3.20 116.57 118.73 2k5t h LYS 21 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 2k5t h LYS 21 Cb 0.50 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2k5t h LYS 21 CO 0.00 0.60 -1.50 0.82 -2.27 0.00 0.00 179.45 177.09 2k5t h ILE 22 N 0.00 1.21 -3.49 2.00 2.04 -0.60 -3.39 117.51 115.27 2k5t h ILE 22 Ca -0.11 -2.78 -0.70 0.00 1.00 0.00 0.00 64.86 62.27 2k5t h ILE 22 Cb 1.69 2.86 -0.35 0.00 -0.74 0.00 0.00 36.82 40.29 2k5t h ILE 22 CO 0.08 0.84 -0.26 0.26 0.00 0.00 0.00 178.15 179.08 2k5t s TRP 23 N -2.61 3.57 -1.04 1.37 0.51 0.68 -4.92 118.94 116.49 2k5t s TRP 23 Ca -0.09 -2.78 0.17 0.00 -2.12 0.00 0.00 56.10 51.28 2k5t s TRP 23 Cb 0.06 -3.24 0.75 0.00 -0.81 0.00 0.00 33.47 30.22 2k5t s TRP 23 CO 0.88 -0.81 1.55 -0.35 -0.51 0.00 0.00 176.95 177.70 2k5t n PRO 24 N 3.13 0.03 -0.09 4.98 -0.04 -1.21 -1.99 135.00 139.80 2k5t n PRO 24 Ca 0.13 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 2k5t n PRO 24 Cb 0.38 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.48 2k5t n PRO 24 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k5t n GLU 25 N -1.48 2.11 -2.40 0.54 0.28 -1.26 -4.96 120.64 113.47 2k5t n GLU 25 Ca 0.05 -1.95 -0.42 0.00 -0.16 0.00 0.00 57.16 54.68 2k5t n GLU 25 Cb 0.19 -1.42 -0.03 0.00 1.43 0.00 0.00 31.44 31.61 2k5t n GLU 25 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2k5t s TYR 26 N -1.51 3.23 0.02 -1.84 5.04 -0.84 -4.97 117.35 116.47 2k5t s TYR 26 Ca 0.29 1.18 -0.30 0.00 -2.44 0.00 0.00 57.07 55.80 2k5t s TYR 26 Cb 0.19 -3.46 -0.07 0.00 0.35 0.00 0.00 41.96 38.97 2k5t s TYR 26 CO 0.27 -1.50 1.54 -1.12 -1.34 0.00 0.00 175.55 173.39 2k5t s SER 27 N 1.37 6.72 -0.19 4.32 0.01 -1.26 -4.91 113.70 119.76 2k5t s SER 27 Ca 0.58 2.27 -0.34 0.00 1.31 0.00 0.00 55.95 59.78 2k5t s SER 27 Cb -0.28 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.29 2k5t s SER 27 CO 0.26 -0.82 2.01 -2.65 0.41 0.00 0.00 173.24 172.45 2k5t n PRO 28 N 5.76 1.79 -0.87 12.44 -0.02 -1.26 -4.89 135.00 147.95 2k5t n PRO 28 Ca 0.15 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2k5t n PRO 28 Cb 0.42 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2k5t n PRO 28 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2k5t n SER 29 N 8.25 0.00 -0.27 2.55 3.41 -1.26 -5.05 113.62 121.25 2k5t n SER 29 Ca 0.29 -0.63 0.02 0.00 -0.26 0.00 0.00 58.87 58.29 2k5t n SER 29 Cb 0.29 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.39 2k5t n SER 29 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2k5t h SER 30 N 0.00 0.58 -5.50 4.04 0.02 -2.05 -3.47 113.55 107.16 2k5t h SER 30 Ca 0.00 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2k5t h SER 30 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2k5t h SER 30 CO 0.00 0.34 -0.46 0.18 -1.14 0.00 0.00 176.83 175.74 2k5t n LEU 31 N -4.79 -6.83 0.00 5.07 4.77 -1.26 -5.06 117.00 108.90 2k5t n LEU 31 Ca 0.12 0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 56.10 2k5t n LEU 31 Cb 0.26 -3.12 -0.07 0.00 -2.33 0.00 0.00 43.42 38.15 2k5t n LEU 31 CO 0.27 -1.67 -0.14 0.00 -1.33 0.00 0.00 177.39 174.51 2k5t n GLN 32 N -0.79 0.52 -4.29 3.23 10.64 -1.26 -4.90 117.38 120.53 2k5t n GLN 32 Ca 0.05 -3.41 -0.16 0.00 -1.83 0.00 0.00 57.00 51.65 2k5t n GLN 32 Cb 0.50 2.16 -0.10 0.00 -0.86 0.00 0.00 30.24 31.95 2k5t n GLN 32 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2k5t s VAL 33 N -3.18 1.16 0.26 -0.39 -7.23 -1.26 -4.94 120.40 104.83 2k5t s VAL 33 Ca 0.27 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2k5t s VAL 33 Cb 0.01 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 2k5t s VAL 33 CO 0.19 -0.56 -0.08 -0.62 -0.31 0.00 0.00 175.10 173.72 2k5t s ASP 34 N -3.24 2.76 0.53 4.85 2.15 0.11 -4.99 116.67 118.85 2k5t s ASP 34 Ca 0.22 -1.15 0.21 0.00 0.43 0.00 0.00 52.55 52.26 2k5t s ASP 34 Cb 0.04 -0.17 1.43 0.00 -0.30 0.00 0.00 42.92 43.92 2k5t s ASP 34 CO 0.04 -0.29 2.16 0.44 -0.17 0.00 0.00 175.17 177.36 2k5t h ASP 35 N 2.34 0.00 0.03 -0.34 5.19 -2.00 -2.91 116.42 118.73 2k5t h ASP 35 Ca -0.40 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.68 2k5t h ASP 35 Cb 1.23 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.70 2k5t h ASP 35 CO 0.66 0.03 -1.88 0.59 -3.12 0.00 0.00 179.24 175.52 2k5t n ASN 36 N -4.25 1.97 -4.40 6.45 3.02 -1.26 -4.73 115.26 112.06 2k5t n ASN 36 Ca -0.03 0.28 -0.45 0.00 -0.03 0.00 0.00 54.58 54.35 2k5t n ASN 36 Cb 0.11 -0.84 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 2k5t n ASN 36 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2k5t s HIS 37 N -2.47 3.19 0.09 3.10 3.76 -1.10 -0.16 115.29 121.71 2k5t s HIS 37 Ca -0.30 -1.32 0.06 0.00 -0.15 0.00 0.00 55.06 53.35 2k5t s HIS 37 Cb 0.08 -4.09 -0.04 0.00 1.11 0.00 0.00 32.58 29.64 2k5t s HIS 37 CO 0.62 -1.32 -0.05 1.03 -0.85 0.00 0.00 174.74 174.16 2k5t s ARG 38 N 2.22 2.34 -0.06 1.40 0.52 0.48 0.08 118.95 125.93 2k5t s ARG 38 Ca 0.21 -0.92 0.06 0.00 -0.52 0.00 0.00 55.73 54.56 2k5t s ARG 38 Cb -0.13 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.90 2k5t s ARG 38 CO -0.03 0.53 -0.25 0.42 0.02 0.00 0.00 175.30 176.00 2k5t s ILE 39 N -1.24 2.05 -0.05 1.52 1.01 -1.26 -0.25 121.20 122.97 2k5t s ILE 39 Ca 0.23 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.86 2k5t s ILE 39 Cb -0.11 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2k5t s ILE 39 CO 0.15 0.57 -0.14 -0.31 0.00 0.00 0.00 174.94 175.21 2k5t s TYR 40 N -0.08 2.73 -0.17 3.97 2.02 -0.11 -1.15 117.35 124.55 2k5t s TYR 40 Ca -0.06 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 2k5t s TYR 40 Cb -0.14 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 2k5t s TYR 40 CO 0.05 0.18 -0.20 0.00 -1.57 0.00 0.00 175.55 174.01 2k5t s ALA 41 N -0.69 2.34 -0.61 3.71 0.00 -0.13 -2.24 121.76 124.14 2k5t s ALA 41 Ca 0.10 -1.18 -0.20 0.00 0.00 0.00 0.00 51.96 50.68 2k5t s ALA 41 Cb -0.11 -1.16 0.09 0.00 0.00 0.00 0.00 23.12 21.94 2k5t s ALA 41 CO 0.01 -0.27 0.80 0.00 0.00 0.00 0.00 175.76 176.30 2k5t s ALA 42 N 1.17 3.30 -0.27 0.00 0.00 0.31 -0.56 121.76 125.72 2k5t s ALA 42 Ca 0.02 -2.04 -0.17 0.00 0.00 0.00 0.00 51.96 49.77 2k5t s ALA 42 Cb -0.14 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 2k5t s ALA 42 CO -0.10 -2.48 0.48 0.50 0.00 0.00 0.00 175.76 174.16 2k5t s ARG 43 N 3.20 4.03 -0.77 0.00 3.52 -0.36 0.29 118.95 128.85 2k5t s ARG 43 Ca 0.16 0.22 -0.15 0.00 -0.13 0.00 0.00 55.73 55.83 2k5t s ARG 43 Cb -0.21 -3.66 0.19 0.00 -1.56 0.00 0.00 34.95 29.71 2k5t s ARG 43 CO 0.08 -0.35 0.74 0.12 -0.81 0.00 0.00 175.30 175.09 2k5t s PHE 44 N 2.25 3.60 0.00 5.12 5.36 0.45 -2.83 117.98 131.93 2k5t s PHE 44 Ca 0.19 -1.78 0.00 0.00 -0.96 0.00 0.00 56.93 54.38 2k5t s PHE 44 Cb -0.16 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.66 2k5t s PHE 44 CO 0.10 -1.05 0.00 -1.71 -1.46 0.00 0.00 175.22 171.10 2k5t n ASN 45 N 4.48 0.00 -0.08 6.13 5.15 -1.26 -3.36 115.26 126.32 2k5t n ASN 45 Ca 0.09 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.90 2k5t n ASN 45 Cb 0.46 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.65 2k5t n ASN 45 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k5t n GLU 46 N 0.00 0.40 -4.52 1.20 1.02 -1.26 -5.09 120.64 112.39 2k5t n GLU 46 Ca 0.00 0.17 -0.25 0.00 -0.02 0.00 0.00 57.16 57.06 2k5t n GLU 46 Cb 0.00 -1.19 -0.09 0.00 -0.02 0.00 0.00 31.44 30.14 2k5t n GLU 46 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2k5t s ARG 47 N -2.45 1.84 -0.06 3.49 3.52 -1.21 -5.09 118.95 118.99 2k5t s ARG 47 Ca -0.25 -2.09 -0.30 0.00 -0.13 0.00 0.00 55.73 52.96 2k5t s ARG 47 Cb 0.08 -0.88 -0.04 0.00 -1.56 0.00 0.00 34.95 32.55 2k5t s ARG 47 CO 0.33 -0.32 1.31 -0.51 -0.81 0.00 0.00 175.30 175.31 2k5t s LEU 48 N -3.59 4.27 -0.15 -0.88 1.43 -1.26 -0.41 118.68 118.09 2k5t s LEU 48 Ca 0.28 1.92 0.08 0.00 -1.03 0.00 0.00 54.13 55.38 2k5t s LEU 48 Cb 0.05 -3.55 -0.23 0.00 0.03 0.00 0.00 46.19 42.49 2k5t s LEU 48 CO 0.14 -0.69 0.25 -0.11 0.23 0.00 0.00 176.35 176.16 2k5t n LEU 49 N 5.69 1.41 -3.84 1.79 7.94 0.15 -4.85 117.00 125.30 2k5t n LEU 49 Ca 0.13 0.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.05 2k5t n LEU 49 Cb 0.45 -0.22 -0.13 0.00 0.53 0.00 0.00 43.42 44.05 2k5t n LEU 49 CO 0.57 0.63 -0.23 0.00 -1.11 0.00 0.00 177.39 177.24 2k5t s ALA 50 N -2.54 -0.28 -0.07 1.96 0.00 -0.99 -0.48 121.76 119.34 2k5t s ALA 50 Ca -0.16 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.12 2k5t s ALA 50 Cb 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2k5t s ALA 50 CO 0.77 -0.06 -0.16 0.00 0.00 0.00 0.00 175.76 176.31 2k5t s ALA 51 N -0.02 1.56 -0.02 0.00 0.00 -0.42 -0.53 121.76 122.33 2k5t s ALA 51 Ca -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 2k5t s ALA 51 Cb -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2k5t s ALA 51 CO 0.00 0.18 0.08 0.54 0.00 0.00 0.00 175.76 176.57 2k5t s VAL 52 N 0.51 0.02 0.25 0.00 0.11 -0.95 -1.12 120.40 119.22 2k5t s VAL 52 Ca -0.15 -0.18 0.09 0.00 -2.93 0.00 0.00 61.98 58.81 2k5t s VAL 52 Cb -0.16 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 2k5t s VAL 52 CO 0.05 -0.10 0.00 -0.13 -3.33 0.00 0.00 175.10 171.60 2k5t s ARG 53 N -0.29 2.33 -0.07 1.54 0.52 -0.53 -0.94 118.95 121.52 2k5t s ARG 53 Ca -0.03 -1.35 -0.03 0.00 -0.52 0.00 0.00 55.73 53.80 2k5t s ARG 53 Cb -0.02 -2.21 0.04 0.00 0.52 0.00 0.00 34.95 33.28 2k5t s ARG 53 CO 0.00 0.38 0.15 0.54 0.02 0.00 0.00 175.30 176.39 2k5t s VAL 54 N -2.20 -0.07 -0.54 3.52 0.11 0.65 -1.96 120.40 119.90 2k5t s VAL 54 Ca 0.31 0.20 -0.11 0.00 -2.93 0.00 0.00 61.98 59.45 2k5t s VAL 54 Cb -0.07 -0.25 0.14 0.00 -1.53 0.00 0.00 36.38 34.67 2k5t s VAL 54 CO 0.20 0.08 0.44 -0.89 -3.33 0.00 0.00 175.10 171.60 2k5t s THR 55 N 1.29 4.58 -0.09 5.04 2.01 0.14 -0.39 115.64 128.22 2k5t s THR 55 Ca -0.08 -1.90 -0.29 0.00 0.31 0.00 0.00 61.69 59.72 2k5t s THR 55 Cb -0.12 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2k5t s THR 55 CO -0.06 -0.84 0.99 -0.76 -0.69 0.00 0.00 174.62 173.26 2k5t s LEU 56 N 1.15 4.26 -0.99 4.42 1.43 0.78 -0.36 118.68 129.37 2k5t s LEU 56 Ca 0.08 1.53 -0.04 0.00 -1.03 0.00 0.00 54.13 54.66 2k5t s LEU 56 Cb -0.25 -3.53 0.26 0.00 0.03 0.00 0.00 46.19 42.70 2k5t s LEU 56 CO -0.01 -0.41 1.01 -1.20 0.23 0.00 0.00 176.35 175.97 2k5t n SER 57 N 4.82 4.99 0.00 2.29 7.64 0.56 -4.66 113.62 129.25 2k5t n SER 57 Ca 0.08 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.80 2k5t n SER 57 Cb 0.49 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2k5t n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k5t n GLY 58 N 2.20 2.28 0.61 0.23 0.00 -1.26 -3.85 105.19 105.41 2k5t n GLY 58 Ca 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 0.90 -2.59 2.61 -2.24 -1.26 -5.03 114.28 106.67 2k5t n THR 59 Ca 0.00 0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.69 2k5t n THR 59 Cb 0.00 -1.69 -0.04 0.00 -2.10 0.00 0.00 70.33 66.50 2k5t n THR 59 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k5t s GLU 60 N -1.93 4.10 0.14 -0.78 2.02 -1.25 -4.00 118.70 117.00 2k5t s GLU 60 Ca -0.08 1.41 -0.03 0.00 0.02 0.00 0.00 54.97 56.28 2k5t s GLU 60 Cb 0.01 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 2k5t s GLU 60 CO 0.12 -0.18 0.12 0.20 0.02 0.00 0.00 175.26 175.55 2k5t s GLY 61 N -1.76 0.85 -0.09 -1.39 0.00 -1.18 -0.32 107.32 103.43 2k5t s GLY 61 Ca 0.60 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 44.05 2k5t s GLY 61 CO 0.23 -1.21 -0.18 0.00 0.00 0.00 0.00 173.10 171.94 2k5t s ALA 62 N -4.03 2.46 -0.10 3.20 0.00 0.51 -2.08 121.76 121.72 2k5t s ALA 62 Ca 0.22 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.06 2k5t s ALA 62 Cb 0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 2k5t s ALA 62 CO 0.02 0.38 0.39 -0.51 0.00 0.00 0.00 175.76 176.04 2k5t s LEU 63 N -0.07 4.32 0.12 0.00 1.43 0.16 0.23 118.68 124.87 2k5t s LEU 63 Ca -0.04 0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 53.77 2k5t s LEU 63 Cb -0.14 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2k5t s LEU 63 CO 0.04 0.13 0.11 1.51 0.23 0.00 0.00 176.35 178.37 2k5t s ASP 64 N 0.08 0.26 -0.30 2.29 -4.77 -0.83 -0.40 116.67 113.00 2k5t s ASP 64 Ca 0.22 -1.01 -0.08 0.00 -3.30 0.00 0.00 52.55 48.39 2k5t s ASP 64 Cb -0.15 0.32 0.01 0.00 -1.09 0.00 0.00 42.92 42.01 2k5t s ASP 64 CO 0.09 -0.74 0.21 -1.20 0.70 0.00 0.00 175.17 174.23 2k5t n SER 65 N -0.08 -7.54 -4.00 2.11 7.64 -0.11 -1.46 113.62 110.19 2k5t n SER 65 Ca -0.09 0.89 -0.31 0.00 1.01 0.00 0.00 58.87 60.37 2k5t n SER 65 Cb 0.63 -4.35 -0.15 0.00 -1.01 0.00 0.00 64.21 59.32 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 -1.84 3.41 -0.26 -3.43 2.96 -1.26 -2.15 118.68 116.12 2k5t s LEU 66 Ca 0.10 -1.52 -0.01 0.00 -0.22 0.00 0.00 54.13 52.48 2k5t s LEU 66 Cb -0.02 -1.41 0.08 0.00 0.50 0.00 0.00 46.19 45.33 2k5t s LEU 66 CO 0.65 -0.26 0.03 -0.13 -1.32 0.00 0.00 176.35 175.32 2k5t s ARG 67 N 1.18 1.00 0.08 1.98 0.52 -0.28 -4.87 118.95 118.56 2k5t s ARG 67 Ca -0.02 -0.91 -0.07 0.00 -0.52 0.00 0.00 55.73 54.22 2k5t s ARG 67 Cb -0.19 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 32.95 2k5t s ARG 67 CO -0.07 -0.77 0.34 0.08 0.02 0.00 0.00 175.30 174.90 2k5t s VAL 68 N 1.58 5.19 0.02 3.52 1.01 -1.26 -1.30 120.40 129.16 2k5t s VAL 68 Ca 0.02 0.18 -0.35 0.00 0.00 0.00 0.00 61.98 61.82 2k5t s VAL 68 Cb -0.18 -3.61 -0.14 0.00 0.00 0.00 0.00 36.38 32.45 2k5t s VAL 68 CO -0.14 0.21 1.61 0.54 0.00 0.00 0.00 175.10 177.33 2k5t n ARG 69 N 0.64 1.77 0.28 2.72 1.74 0.36 -4.81 116.66 119.37 2k5t n ARG 69 Ca -0.07 0.64 0.18 0.00 -0.77 0.00 0.00 57.85 57.84 2k5t n ARG 69 Cb 0.52 -2.39 0.97 0.00 -1.02 0.00 0.00 32.46 30.54 2k5t n ARG 69 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2k5t h GLU 70 N 6.54 0.00 0.00 5.56 5.08 -1.96 0.23 114.58 130.02 2k5t h GLU 70 Ca -0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2k5t h GLU 70 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k5t h GLU 70 CO 0.88 0.00 -0.03 0.28 -1.00 0.00 0.00 179.01 179.14 2k5t h VAL 71 N 0.00 0.13 -0.32 3.13 2.07 -1.99 -3.01 116.25 116.25 2k5t h VAL 71 Ca 0.03 -0.39 -0.18 0.00 0.82 0.00 0.00 66.70 66.97 2k5t h VAL 71 Cb 0.25 1.34 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 2k5t h VAL 71 CO -0.00 0.03 0.23 0.41 0.02 0.00 0.00 177.57 178.26 2k5t n THR 72 N -3.20 1.90 -2.77 2.57 -1.04 0.80 -4.90 114.28 107.63 2k5t n THR 72 Ca -0.01 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.05 60.81 2k5t n THR 72 Cb 0.23 -0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 67.75 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 -1.11 4.47 -1.44 -2.82 3.52 -1.14 -3.64 118.95 116.80 2k5t s ARG 73 Ca 0.19 1.29 -0.05 0.00 -0.13 0.00 0.00 55.73 57.03 2k5t s ARG 73 Cb 0.16 -3.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.06 2k5t s ARG 73 CO 0.03 -0.14 0.64 -2.13 -0.81 0.00 0.00 175.30 172.89 2k5t n ARG 74 N 4.35 -4.99 -0.04 5.12 0.63 -1.26 -4.88 116.66 115.60 2k5t n ARG 74 Ca 0.06 0.85 0.04 0.00 -0.92 0.00 0.00 57.85 57.88 2k5t n ARG 74 Cb 0.50 -5.61 0.06 0.00 0.45 0.00 0.00 32.46 27.86 2k5t n ARG 74 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2k5t n ARG 75 N -3.94 0.91 0.00 -0.14 1.74 -1.24 -4.99 116.66 109.00 2k5t n ARG 75 Ca -0.09 -1.25 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 2k5t n ARG 75 Cb 0.61 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.87 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 0.42 2.61 0.24 -0.13 0.00 -1.26 -4.88 105.19 102.19 2k5t n GLY 76 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 1.18 -0.42 1.61 2.07 -1.94 -2.03 116.25 116.72 2k5t h VAL 77 Ca 0.00 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.11 2k5t h VAL 77 Cb 0.00 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2k5t h VAL 77 CO 0.00 0.19 0.28 1.23 0.02 0.00 0.00 177.57 179.29 2k5t h GLY 78 N 0.77 0.57 0.90 2.17 0.00 -1.90 -1.03 103.07 104.55 2k5t h GLY 78 Ca 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2k5t h GLY 78 CO -0.04 0.19 0.09 -1.61 0.00 0.00 0.00 176.54 175.18 2k5t h GLN 79 N 0.53 0.31 -0.60 4.80 4.15 -1.79 -2.76 115.11 119.75 2k5t h GLN 79 Ca 0.16 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 2k5t h GLN 79 Cb 0.01 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 2k5t h GLN 79 CO -0.04 0.36 0.32 -0.92 -1.93 0.00 0.00 178.83 176.62 2k5t h TYR 80 N 0.19 0.83 0.07 3.99 5.03 -1.00 -2.04 116.97 124.06 2k5t h TYR 80 Ca 0.07 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.38 2k5t h TYR 80 Cb 0.16 -0.26 -0.04 0.00 1.55 0.00 0.00 36.73 38.13 2k5t h TYR 80 CO -0.01 0.61 -0.34 1.25 -1.32 0.00 0.00 178.16 178.35 2k5t h LEU 81 N 0.82 -1.00 -0.62 2.82 5.85 -1.03 0.33 115.31 122.47 2k5t h LEU 81 Ca 0.21 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.96 2k5t h LEU 81 Cb 0.06 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2k5t h LEU 81 CO -0.03 -0.42 0.05 -0.07 -0.34 0.00 0.00 178.44 177.64 2k5t h LEU 82 N -0.54 1.03 -0.28 2.25 -0.00 -1.47 -2.59 115.31 113.72 2k5t h LEU 82 Ca 0.04 -0.28 0.06 0.00 -0.00 0.00 0.00 57.88 57.70 2k5t h LEU 82 Cb 0.59 -0.28 -0.06 0.00 -0.00 0.00 0.00 40.66 40.92 2k5t h LEU 82 CO -0.23 1.06 -0.11 -0.33 -0.00 0.00 0.00 178.44 178.82 2k5t h GLU 83 N 0.97 -0.07 -0.45 1.13 4.39 -0.89 0.56 114.58 120.22 2k5t h GLU 83 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2k5t h GLU 83 Cb 0.50 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2k5t h GLU 83 CO 0.02 -0.04 0.29 1.49 -1.16 0.00 0.00 179.01 179.60 2k5t h GLU 84 N -0.07 0.61 -0.04 2.33 4.57 -0.77 -1.80 114.58 119.41 2k5t h GLU 84 Ca 0.14 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2k5t h GLU 84 Cb 0.28 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2k5t h GLU 84 CO -0.32 0.43 0.02 0.28 -1.18 0.00 0.00 179.01 178.23 2k5t h VAL 85 N 0.61 1.15 0.00 0.32 2.07 -1.07 -0.90 116.25 118.43 2k5t h VAL 85 Ca 0.16 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2k5t h VAL 85 Cb -0.03 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2k5t h VAL 85 CO -0.03 0.12 -0.01 -0.07 0.02 0.00 0.00 177.57 177.60 2k5t h LEU 86 N -0.11 0.00 0.00 2.57 4.07 -0.70 -1.42 115.31 119.72 2k5t h LEU 86 Ca 0.01 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.66 2k5t h LEU 86 Cb 0.18 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.87 2k5t h LEU 86 CO -0.00 0.01 -1.90 0.54 -1.08 0.00 0.00 178.44 176.00 2k5t n ARG 87 N -3.12 0.65 0.19 1.13 1.74 -0.69 -4.22 116.66 112.33 2k5t n ARG 87 Ca -0.01 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.40 2k5t n ARG 87 Cb 0.18 -1.72 0.13 0.00 -1.02 0.00 0.00 32.46 30.03 2k5t n ARG 87 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2k5t h ASN 88 N 0.00 0.00 -3.90 0.55 2.35 -0.49 -3.38 115.58 110.72 2k5t h ASN 88 Ca -0.36 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.71 2k5t h ASN 88 Cb 2.08 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 40.08 2k5t h ASN 88 CO 0.06 0.01 -0.35 0.20 -1.65 0.00 0.00 177.43 175.71 2k5t s ASN 89 N -6.04 5.26 0.14 5.81 0.02 -0.60 -4.90 114.94 114.63 2k5t s ASN 89 Ca 0.05 -3.20 0.27 0.00 -1.02 0.00 0.00 52.86 48.96 2k5t s ASN 89 Cb 0.06 -1.82 0.87 0.00 0.02 0.00 0.00 41.25 40.38 2k5t s ASN 89 CO 0.70 -0.28 1.76 -2.65 0.02 0.00 0.00 177.10 176.65 2k5t n PRO 90 N 2.99 0.19 0.00 -0.60 -0.02 -1.26 -3.45 135.00 132.85 2k5t n PRO 90 Ca 0.12 0.14 0.14 0.00 -2.02 0.00 0.00 63.50 61.88 2k5t n PRO 90 Cb 0.37 -1.71 0.64 0.00 -0.02 0.00 0.00 33.50 32.78 2k5t n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5t n GLY 91 N 1.36 -1.37 3.40 -1.23 0.00 -1.26 -4.56 105.19 101.53 2k5t n GLY 91 Ca 0.06 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.84 4.83 0.09 1.61 1.01 -1.22 -4.35 120.40 119.53 2k5t s VAL 92 Ca 0.19 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2k5t s VAL 92 Cb 0.19 -4.42 -0.24 0.00 0.00 0.00 0.00 36.38 31.90 2k5t s VAL 92 CO 0.48 -1.02 1.20 0.77 0.00 0.00 0.00 175.10 176.53 2k5t h SER 93 N 9.12 0.55 -3.45 3.32 4.64 -1.80 -3.41 113.55 122.52 2k5t h SER 93 Ca -0.29 -0.51 -0.67 0.00 -0.47 0.00 0.00 61.79 59.85 2k5t h SER 93 Cb 1.09 -0.17 -0.33 0.00 -0.31 0.00 0.00 62.40 62.68 2k5t h SER 93 CO 1.05 1.35 -0.77 0.00 -0.87 0.00 0.00 176.83 177.59 2k5t s TRP 95 N 1.31 3.16 -0.14 0.00 0.52 0.12 -3.11 118.94 120.80 2k5t s TRP 95 Ca 0.01 -1.01 -0.12 0.00 0.02 0.00 0.00 56.10 55.00 2k5t s TRP 95 Cb -0.16 -3.65 -0.05 0.00 -1.15 0.00 0.00 33.47 28.46 2k5t s TRP 95 CO -0.06 -1.03 0.25 -0.46 0.02 0.00 0.00 176.95 175.67 2k5t s TRP 96 N 2.03 3.52 -0.13 -1.98 -0.11 -0.89 -0.90 118.94 120.48 2k5t s TRP 96 Ca 0.07 0.60 0.00 0.00 1.22 0.00 0.00 56.10 57.99 2k5t s TRP 96 Cb -0.26 -2.23 -0.01 0.00 -1.50 0.00 0.00 33.47 29.47 2k5t s TRP 96 CO 0.06 0.40 -0.14 -1.64 -4.62 0.00 0.00 176.95 171.01 2k5t s MET 97 N -0.04 3.37 0.38 5.86 -1.94 0.13 0.41 119.30 127.47 2k5t s MET 97 Ca 0.16 -0.69 -0.00 0.00 -1.71 0.00 0.00 55.69 53.44 2k5t s MET 97 Cb -0.13 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.07 2k5t s MET 97 CO 0.04 0.22 0.59 0.00 -0.01 0.00 0.00 175.02 175.86 2k5t s ALA 98 N 0.34 3.68 -2.02 3.03 0.00 0.47 -1.99 121.76 125.27 2k5t s ALA 98 Ca -0.11 -0.90 0.28 0.00 0.00 0.00 0.00 51.96 51.23 2k5t s ALA 98 Cb -0.16 -2.16 1.15 0.00 0.00 0.00 0.00 23.12 21.94 2k5t s ALA 98 CO 0.06 -0.11 1.80 -0.40 0.00 0.00 0.00 175.76 177.11 2k5t n ASP 99 N -1.88 0.90 -4.63 0.00 5.75 -1.26 -4.72 116.55 110.71 2k5t n ASP 99 Ca -0.03 -1.03 -0.43 0.00 -0.01 0.00 0.00 54.79 53.29 2k5t n ASP 99 Cb 0.56 0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.64 2k5t n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k5t s ALA 100 N -2.25 3.19 0.00 2.12 0.00 -1.26 -1.21 121.76 122.36 2k5t s ALA 100 Ca 0.34 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2k5t s ALA 100 Cb 0.20 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2k5t s ALA 100 CO 0.42 -2.09 0.00 0.41 0.00 0.00 0.00 175.76 174.50 2k5t n GLY 101 N 4.87 1.50 3.44 0.00 0.00 -1.26 -0.94 105.19 112.79 2k5t n GLY 101 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.41 4.52 -0.10 1.61 1.01 -0.35 -4.51 120.40 120.17 2k5t s VAL 102 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 2k5t s VAL 102 Cb 0.00 -4.67 -0.23 0.00 0.00 0.00 0.00 36.38 31.48 2k5t s VAL 102 CO 0.00 -1.41 0.90 -0.33 0.00 0.00 0.00 175.10 174.26 2k5t h GLU 103 N 9.32 -0.01 -4.92 2.72 5.08 -1.95 -3.40 114.58 121.42 2k5t h GLU 103 Ca -0.18 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.48 2k5t h GLU 103 Cb 1.06 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.13 2k5t h GLU 103 CO 1.15 0.79 0.61 0.34 -1.00 0.00 0.00 179.01 180.91 2k5t s ASP 104 N -6.02 6.51 0.41 1.42 -1.08 -1.26 -4.85 116.67 111.81 2k5t s ASP 104 Ca -0.17 -1.87 0.22 0.00 -0.52 0.00 0.00 52.55 50.22 2k5t s ASP 104 Cb -0.01 -2.37 0.74 0.00 -1.46 0.00 0.00 42.92 39.81 2k5t s ASP 104 CO 0.66 -1.08 1.75 0.03 0.52 0.00 0.00 175.17 177.05 2k5t h ARG 105 N 8.89 0.00 0.31 4.34 3.08 -1.99 -2.67 114.38 126.33 2k5t h ARG 105 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2k5t h ARG 105 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2k5t h ARG 105 CO 1.08 0.26 -0.15 0.78 -1.07 0.00 0.00 179.97 180.87 2k5t h GLY 106 N 2.46 -0.43 1.04 0.04 0.00 -1.97 -2.23 103.07 101.98 2k5t h GLY 106 Ca -0.00 0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 2k5t h GLY 106 CO 0.03 -0.16 0.00 -2.08 0.00 0.00 0.00 176.54 174.34 2k5t h VAL 107 N -0.92 1.26 -0.60 4.60 2.07 -1.99 -2.73 116.25 117.95 2k5t h VAL 107 Ca -0.04 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 2k5t h VAL 107 Cb 0.51 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2k5t h VAL 107 CO 0.07 0.40 0.16 0.24 0.02 0.00 0.00 177.57 178.46 2k5t h MET 108 N 0.85 0.91 -0.35 1.57 2.07 -1.57 0.27 114.93 118.69 2k5t h MET 108 Ca 0.16 -0.19 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 2k5t h MET 108 Cb 0.53 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 30.11 2k5t h MET 108 CO 0.03 0.80 0.16 1.15 1.07 0.00 0.00 176.91 180.12 2k5t h THR 109 N 0.88 1.17 -0.68 2.22 2.02 -1.24 0.26 112.91 117.54 2k5t h THR 109 Ca 0.19 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 2k5t h THR 109 Cb 0.29 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2k5t h THR 109 CO -0.00 0.18 0.17 0.00 0.37 0.00 0.00 175.52 176.23 2k5t h ALA 110 N 1.01 0.89 -0.14 6.16 0.00 -1.13 0.19 119.26 126.24 2k5t h ALA 110 Ca 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k5t h ALA 110 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2k5t h ALA 110 CO -0.01 0.61 0.04 0.35 0.00 0.00 0.00 179.25 180.24 2k5t h PHE 111 N 1.01 0.07 -0.38 0.00 3.57 -0.17 -1.64 116.94 119.40 2k5t h PHE 111 Ca 0.21 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.56 2k5t h PHE 111 Cb 0.37 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2k5t h PHE 111 CO 0.03 0.03 -0.38 0.52 -2.23 0.00 0.00 178.31 176.29 2k5t h MET 112 N 0.10 0.93 -0.55 1.11 2.86 -0.23 -0.85 114.93 118.31 2k5t h MET 112 Ca 0.06 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.20 2k5t h MET 112 Cb 0.04 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2k5t h MET 112 CO -0.07 1.14 0.31 0.37 1.06 0.00 0.00 176.91 179.72 2k5t h GLN 113 N 0.75 0.76 -0.11 1.72 4.15 -0.54 0.43 115.11 122.27 2k5t h GLN 113 Ca 0.06 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 2k5t h GLN 113 Cb 0.97 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 2k5t h GLN 113 CO 0.09 0.58 -0.37 0.00 -1.93 0.00 0.00 178.83 177.20 2k5t h ALA 114 N 1.14 1.17 -0.17 3.38 0.00 -1.23 -2.58 119.26 120.97 2k5t h ALA 114 Ca 0.20 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2k5t h ALA 114 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k5t h ALA 114 CO -0.03 0.55 -0.34 1.25 0.00 0.00 0.00 179.25 180.68 2k5t h LEU 115 N 0.20 0.35 0.00 0.00 6.46 -0.29 -3.47 115.31 118.57 2k5t h LEU 115 Ca 0.02 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2k5t h LEU 115 Cb 0.75 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 2k5t h LEU 115 CO 0.06 0.68 0.00 0.61 -0.62 0.00 0.00 178.44 179.17 2k5t n GLY 116 N -0.27 -0.25 3.93 3.75 0.00 0.56 -5.07 105.19 107.84 2k5t n GLY 116 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.73 2.24 0.00 1.61 0.08 0.12 -4.93 117.98 116.37 2k5t s PHE 117 Ca 0.00 0.36 -0.15 0.00 0.12 0.00 0.00 56.93 57.26 2k5t s PHE 117 Cb 0.00 -3.58 0.02 0.00 -0.57 0.00 0.00 43.02 38.90 2k5t s PHE 117 CO 0.00 -2.00 0.31 0.99 -0.10 0.00 0.00 175.22 174.43 2k5t s THR 118 N -3.54 0.06 -0.42 0.64 2.01 -1.26 -4.19 115.64 108.95 2k5t s THR 118 Ca 0.67 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.97 2k5t s THR 118 Cb -0.07 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.75 2k5t s THR 118 CO 0.49 -0.29 0.41 0.28 -0.69 0.00 0.00 174.62 174.82 2k5t s THR 119 N -1.67 5.12 -0.04 -0.82 -1.32 -1.26 -0.93 115.64 114.72 2k5t s THR 119 Ca -0.11 -0.39 -0.01 0.00 -1.21 0.00 0.00 61.69 59.97 2k5t s THR 119 Cb -0.04 -4.01 0.03 0.00 -1.51 0.00 0.00 72.50 66.97 2k5t s THR 119 CO 0.02 -0.39 0.07 -1.10 -2.21 0.00 0.00 174.62 171.01 2k5t s GLN 120 N 2.05 0.00 -1.39 7.08 -0.21 -0.16 -4.85 119.66 122.18 2k5t s GLN 120 Ca 0.11 0.27 -0.02 0.00 0.02 0.00 0.00 55.36 55.74 2k5t s GLN 120 Cb -0.17 -0.24 0.00 0.00 1.00 0.00 0.00 33.01 33.60 2k5t s GLN 120 CO 0.13 -0.18 0.26 1.04 -2.12 0.00 0.00 175.29 174.42 2k5t n GLN 121 N 4.30 -2.80 0.00 2.91 6.02 -1.26 -3.70 117.38 122.85 2k5t n GLN 121 Ca -0.25 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 2k5t n GLN 121 Cb 0.51 -5.31 0.00 0.00 1.02 0.00 0.00 30.24 26.45 2k5t n GLN 121 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k5t n GLY 122 N -1.22 2.16 0.00 1.08 0.00 -1.26 -5.01 105.19 100.94 2k5t n GLY 122 Ca -0.15 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.98 3.49 -0.02 0.00 -1.24 -5.00 105.19 103.39 2k5t n GLY 123 Ca 0.00 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 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 1.30 3.13 -0.20 1.61 0.51 -0.84 -0.99 118.94 123.46 2k5t s TRP 124 Ca 0.00 -0.28 0.01 0.00 -2.12 0.00 0.00 56.10 53.71 2k5t s TRP 124 Cb 0.00 -2.28 0.03 0.00 -0.81 0.00 0.00 33.47 30.40 2k5t s TRP 124 CO 0.00 -0.31 -0.17 -2.00 -0.51 0.00 0.00 176.95 173.96 2k5t s GLU 125 N 1.66 2.86 -0.03 4.98 2.12 -0.11 0.21 118.70 130.38 2k5t s GLU 125 Ca 0.06 -0.93 0.05 0.00 0.36 0.00 0.00 54.97 54.51 2k5t s GLU 125 Cb -0.15 -2.67 -0.01 0.00 0.26 0.00 0.00 34.13 31.56 2k5t s GLU 125 CO 0.06 -0.29 -0.17 0.21 -0.54 0.00 0.00 175.26 174.53 2k5t s LYS 126 N 1.26 1.66 0.12 4.30 2.20 -0.08 -4.06 119.74 125.14 2k5t s LYS 126 Ca 0.02 -0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 2k5t s LYS 126 Cb -0.15 -1.48 -0.06 0.00 -1.51 0.00 0.00 37.83 34.63 2k5t s LYS 126 CO -0.11 0.27 0.94 0.00 -0.36 0.00 0.00 175.35 176.10