#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 3.08 -0.30 0.03 1.02 -1.26 -5.08 119.74 117.23 2k5t s LYS 2 Ca 0.00 -0.72 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 2k5t s LYS 2 Cb 0.00 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.56 2k5t s LYS 2 CO 0.00 0.52 0.04 -1.17 -0.92 0.00 0.00 175.35 173.83 2k5t s LEU 3 N -2.91 3.90 -0.88 3.17 2.96 -1.26 -4.76 118.68 118.89 2k5t s LEU 3 Ca 0.32 -1.01 -0.23 0.00 -0.22 0.00 0.00 54.13 52.99 2k5t s LEU 3 Cb -0.11 -1.80 0.06 0.00 0.50 0.00 0.00 46.19 44.84 2k5t s LEU 3 CO 0.25 -0.24 1.28 -0.89 -1.32 0.00 0.00 176.35 175.43 2k5t s THR 4 N 1.38 4.06 -0.17 3.68 2.01 -0.76 -4.91 115.64 120.94 2k5t s THR 4 Ca -0.01 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 2k5t s THR 4 Cb -0.18 -4.92 -0.03 0.00 0.01 0.00 0.00 72.50 67.38 2k5t s THR 4 CO 0.01 -1.78 -0.02 -0.51 -0.69 0.00 0.00 174.62 171.62 2k5t s ILE 5 N 4.66 3.95 0.17 1.82 2.07 -1.26 -0.53 121.20 132.08 2k5t s ILE 5 Ca 0.37 -0.33 0.09 0.00 -1.41 0.00 0.00 60.65 59.37 2k5t s ILE 5 Cb -0.05 -2.74 -0.04 0.00 0.13 0.00 0.00 42.46 39.75 2k5t s ILE 5 CO -0.00 0.48 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.68 2k5t s ILE 6 N 0.49 1.91 -0.24 2.00 1.01 -0.50 -4.91 121.20 120.96 2k5t s ILE 6 Ca -0.03 -1.95 -0.29 0.00 0.00 0.00 0.00 60.65 58.38 2k5t s ILE 6 Cb -0.14 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.44 2k5t s ILE 6 CO 0.03 -0.29 1.03 0.00 0.00 0.00 0.00 174.94 175.71 2k5t s ARG 7 N -2.82 4.23 -1.04 2.79 1.70 -1.26 -0.90 118.95 121.66 2k5t s ARG 7 Ca 0.17 1.31 -0.23 0.00 -0.47 0.00 0.00 55.73 56.51 2k5t s ARG 7 Cb -0.06 -3.65 0.02 0.00 -0.57 0.00 0.00 34.95 30.69 2k5t s ARG 7 CO 0.07 -0.66 1.64 -0.51 -1.08 0.00 0.00 175.30 174.77 2k5t s LEU 8 N 3.24 3.43 0.00 -1.89 1.43 0.98 -4.66 118.68 121.21 2k5t s LEU 8 Ca 0.44 -1.40 0.21 0.00 -1.03 0.00 0.00 54.13 52.35 2k5t s LEU 8 Cb -0.15 -2.57 0.53 0.00 0.03 0.00 0.00 46.19 44.03 2k5t s LEU 8 CO 0.07 -1.88 1.45 1.21 0.23 0.00 0.00 176.35 177.43 2k5t n GLU 9 N 8.78 2.65 -3.63 1.70 2.13 -1.26 -4.47 120.64 126.53 2k5t n GLU 9 Ca 0.38 -2.45 -0.15 0.00 0.66 0.00 0.00 57.16 55.60 2k5t n GLU 9 Cb 0.49 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.62 2k5t n GLU 9 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2k5t s LYS 10 N -1.11 0.81 -0.13 5.31 2.20 -1.26 -5.07 119.74 120.49 2k5t s LYS 10 Ca 0.42 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 2k5t s LYS 10 Cb 0.22 0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.95 2k5t s LYS 10 CO 0.30 -0.15 -0.12 -0.06 -0.36 0.00 0.00 175.35 174.96 2k5t s PHE 11 N -0.13 1.89 0.43 4.03 0.40 -1.26 -5.09 117.98 118.24 2k5t s PHE 11 Ca -0.03 -0.99 0.08 0.00 -0.60 0.00 0.00 56.93 55.38 2k5t s PHE 11 Cb -0.03 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 42.07 2k5t s PHE 11 CO 0.03 -0.57 0.55 -1.12 0.70 0.00 0.00 175.22 174.80 2k5t s SER 12 N 1.45 5.53 0.14 1.36 0.01 -1.26 -4.98 113.70 115.95 2k5t s SER 12 Ca 0.02 -0.50 -0.17 0.00 1.31 0.00 0.00 55.95 56.61 2k5t s SER 12 Cb -0.13 -0.59 -0.01 0.00 0.21 0.00 0.00 66.02 65.50 2k5t s SER 12 CO -0.08 -0.77 1.79 0.44 0.41 0.00 0.00 173.24 175.03 2k5t h ASP 13 N 0.68 0.41 -0.89 2.44 5.19 -2.00 -1.61 116.42 120.64 2k5t h ASP 13 Ca -0.40 -0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.01 2k5t h ASP 13 Cb 1.28 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.64 2k5t h ASP 13 CO 0.47 0.31 0.58 -0.61 -3.12 0.00 0.00 179.24 176.88 2k5t h GLN 14 N 0.47 1.12 -0.39 3.56 4.15 -1.99 -1.95 115.11 120.07 2k5t h GLN 14 Ca 0.13 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 2k5t h GLN 14 Cb -0.03 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 2k5t h GLN 14 CO -0.03 0.74 0.19 -0.44 -1.93 0.00 0.00 178.83 177.36 2k5t h ASP 15 N 1.15 0.52 -0.51 -0.69 3.32 -1.85 -1.47 116.42 116.89 2k5t h ASP 15 Ca 0.35 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.29 2k5t h ASP 15 Cb -0.04 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2k5t h ASP 15 CO -0.10 0.50 0.32 -0.09 -1.72 0.00 0.00 179.24 178.14 2k5t h ARG 16 N 0.50 0.63 -0.12 3.56 2.43 -0.86 -0.21 114.38 120.31 2k5t h ARG 16 Ca 0.14 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 2k5t h ARG 16 Cb 0.12 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2k5t h ARG 16 CO -0.02 0.41 -0.30 0.82 -1.51 0.00 0.00 179.97 179.38 2k5t h ILE 17 N 0.65 1.26 0.07 1.20 2.04 -1.13 -0.89 117.51 120.69 2k5t h ILE 17 Ca 0.20 -1.21 -0.27 0.00 1.00 0.00 0.00 64.86 64.57 2k5t h ILE 17 Cb -0.02 1.50 0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2k5t h ILE 17 CO -0.07 0.36 -1.13 -0.78 0.00 0.00 0.00 178.15 176.53 2k5t h ASP 18 N 0.20 0.79 -0.33 1.72 3.58 -0.78 -2.39 116.42 119.20 2k5t h ASP 18 Ca 0.03 -0.69 -0.02 0.00 0.42 0.00 0.00 57.03 56.77 2k5t h ASP 18 Cb 0.63 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2k5t h ASP 18 CO 0.05 1.50 0.16 -0.07 -2.88 0.00 0.00 179.24 177.99 2k5t h LEU 19 N 0.28 0.47 -1.06 2.28 3.38 -0.84 -1.05 115.31 118.78 2k5t h LEU 19 Ca -0.15 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2k5t h LEU 19 Cb 1.80 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 2k5t h LEU 19 CO 0.21 0.43 0.04 -0.61 0.09 0.00 0.00 178.44 178.60 2k5t h GLN 20 N 0.53 0.71 0.00 1.13 4.15 -1.01 -0.23 115.11 120.39 2k5t h GLN 20 Ca 0.13 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2k5t h GLN 20 Cb 0.10 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 2k5t h GLN 20 CO -0.01 0.70 -0.11 0.87 -1.93 0.00 0.00 178.83 178.35 2k5t h LYS 21 N 0.68 0.00 0.03 1.69 1.57 -0.70 -3.12 116.57 116.71 2k5t h LYS 21 Ca 0.14 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2k5t h LYS 21 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.68 2k5t h LYS 21 CO 0.01 0.11 -0.22 0.82 -0.57 0.00 0.00 179.45 179.60 2k5t h ILE 22 N 0.00 1.69 -3.38 1.86 2.04 -0.43 -3.42 117.51 115.87 2k5t h ILE 22 Ca -0.00 -2.30 -0.73 0.00 1.00 0.00 0.00 64.86 62.83 2k5t h ILE 22 Cb 0.62 3.23 -0.30 0.00 -0.74 0.00 0.00 36.82 39.63 2k5t h ILE 22 CO 0.01 0.61 -0.34 0.26 0.00 0.00 0.00 178.15 178.70 2k5t s TRP 23 N -2.46 3.46 0.11 1.37 0.51 -0.20 -4.80 118.94 116.94 2k5t s TRP 23 Ca -0.17 -1.99 0.30 0.00 -2.12 0.00 0.00 56.10 52.12 2k5t s TRP 23 Cb -0.01 -3.50 1.20 0.00 -0.81 0.00 0.00 33.47 30.35 2k5t s TRP 23 CO 0.73 -0.98 1.93 -1.35 -0.51 0.00 0.00 176.95 176.77 2k5t h PRO 24 N 8.21 0.00 0.00 4.98 0.11 -1.83 -2.79 132.00 140.68 2k5t h PRO 24 Ca -0.16 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 2k5t h PRO 24 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2k5t h PRO 24 CO 0.83 0.08 -0.67 1.49 -0.21 0.00 0.00 178.00 179.53 2k5t h GLU 25 N 0.00 0.00 -5.38 1.05 4.81 -1.91 -3.45 114.58 109.70 2k5t h GLU 25 Ca -0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 2k5t h GLU 25 Cb 0.59 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.86 2k5t h GLU 25 CO 0.01 0.18 -0.28 -0.47 -0.73 0.00 0.00 179.01 177.72 2k5t s TYR 26 N -3.14 3.38 -0.04 0.92 5.04 -1.05 -5.05 117.35 117.41 2k5t s TYR 26 Ca 0.02 0.54 -0.28 0.00 -2.44 0.00 0.00 57.07 54.92 2k5t s TYR 26 Cb 0.08 -2.45 -0.03 0.00 0.35 0.00 0.00 41.96 39.91 2k5t s TYR 26 CO 0.75 0.05 0.89 0.45 -1.34 0.00 0.00 175.55 176.35 2k5t s SER 27 N 0.94 7.22 -0.71 4.32 0.15 -1.26 -4.90 113.70 119.45 2k5t s SER 27 Ca 0.17 1.48 -0.25 0.00 0.70 0.00 0.00 55.95 58.04 2k5t s SER 27 Cb -0.14 -2.52 -0.14 0.00 -1.71 0.00 0.00 66.02 61.51 2k5t s SER 27 CO 0.07 -0.25 2.45 -0.81 1.20 0.00 0.00 173.24 175.90 2k5t n PRO 28 N 4.06 0.61 0.00 5.44 -0.04 -1.26 -4.89 135.00 138.92 2k5t n PRO 28 Ca 0.04 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2k5t n PRO 28 Cb 0.51 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 2k5t n PRO 28 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k5t n SER 29 N 14.43 0.56 -0.29 3.54 2.88 -1.26 -5.01 113.62 128.46 2k5t n SER 29 Ca 0.48 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2k5t n SER 29 Cb 0.37 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.97 2k5t n SER 29 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k5t h SER 30 N 0.00 0.78 -6.02 -3.46 0.02 -2.06 -3.46 113.55 99.35 2k5t h SER 30 Ca 0.00 0.02 -0.42 0.00 -0.84 0.00 0.00 61.79 60.55 2k5t h SER 30 Cb 0.00 -0.14 0.07 0.00 0.14 0.00 0.00 62.40 62.46 2k5t h SER 30 CO 0.00 0.50 -0.75 0.18 -1.14 0.00 0.00 176.83 175.62 2k5t n LEU 31 N -4.65 -3.17 -4.64 5.07 4.77 -1.26 -4.83 117.00 108.29 2k5t n LEU 31 Ca 0.12 -0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 2k5t n LEU 31 Cb 0.17 -2.81 -0.03 0.00 -2.33 0.00 0.00 43.42 38.42 2k5t n LEU 31 CO 0.31 0.49 1.61 -1.58 -1.33 0.00 0.00 177.39 176.89 2k5t s GLN 32 N -6.18 3.76 -0.24 3.23 0.74 -1.26 -4.97 119.66 114.75 2k5t s GLN 32 Ca 0.38 2.21 -0.04 0.00 0.05 0.00 0.00 55.36 57.96 2k5t s GLN 32 Cb -0.18 -4.19 0.00 0.00 1.10 0.00 0.00 33.01 29.74 2k5t s GLN 32 CO 0.78 -1.37 -0.03 0.08 -0.55 0.00 0.00 175.29 174.20 2k5t s VAL 33 N 5.75 3.32 -0.26 1.34 1.01 -1.26 -4.84 120.40 125.46 2k5t s VAL 33 Ca 0.87 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 2k5t s VAL 33 Cb -0.35 -2.57 -0.11 0.00 0.00 0.00 0.00 36.38 33.35 2k5t s VAL 33 CO 0.36 0.33 -0.36 -0.90 0.00 0.00 0.00 175.10 174.54 2k5t n ASP 34 N 4.78 1.96 0.00 3.32 5.75 -1.17 -5.01 116.55 126.17 2k5t n ASP 34 Ca -0.17 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 2k5t n ASP 34 Cb 0.50 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 2k5t n ASP 34 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2k5t n ASP 35 N -4.30 0.00 0.11 -1.12 2.03 -1.26 -4.96 116.55 107.05 2k5t n ASP 35 Ca -0.46 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 54.75 2k5t n ASP 35 Cb 0.81 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.14 2k5t n ASP 35 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2k5t h ASN 36 N 0.00 -0.30 -2.93 1.67 2.35 -1.92 -3.40 115.58 111.06 2k5t h ASN 36 Ca 0.00 -0.22 -0.66 0.00 -0.55 0.00 0.00 56.30 54.87 2k5t h ASN 36 Cb 0.00 0.08 -0.17 0.00 0.05 0.00 0.00 38.32 38.28 2k5t h ASN 36 CO 0.00 0.19 0.31 -1.00 -1.65 0.00 0.00 177.43 175.29 2k5t s HIS 37 N -3.58 2.86 0.01 1.19 3.76 -1.26 -0.93 115.29 117.35 2k5t s HIS 37 Ca -0.11 -0.60 0.07 0.00 -0.15 0.00 0.00 55.06 54.27 2k5t s HIS 37 Cb 0.01 -4.02 -0.02 0.00 1.11 0.00 0.00 32.58 29.65 2k5t s HIS 37 CO 0.41 -1.38 -0.22 -0.98 -0.85 0.00 0.00 174.74 171.73 2k5t s ARG 38 N 3.33 1.61 -0.13 1.40 1.70 -0.07 -3.07 118.95 123.72 2k5t s ARG 38 Ca 0.18 -0.87 -0.03 0.00 -0.47 0.00 0.00 55.73 54.54 2k5t s ARG 38 Cb -0.19 -1.65 -0.03 0.00 -0.57 0.00 0.00 34.95 32.51 2k5t s ARG 38 CO 0.11 0.44 -0.00 0.42 -1.08 0.00 0.00 175.30 175.18 2k5t s ILE 39 N -0.65 4.23 -0.21 4.99 1.01 -1.26 -0.44 121.20 128.87 2k5t s ILE 39 Ca 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 2k5t s ILE 39 Cb -0.09 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 2k5t s ILE 39 CO 0.00 0.54 -0.03 -0.31 0.00 0.00 0.00 174.94 175.14 2k5t s TYR 40 N -0.19 2.97 -0.24 3.97 2.02 0.48 -0.02 117.35 126.35 2k5t s TYR 40 Ca 0.05 -0.79 -0.06 0.00 -0.37 0.00 0.00 57.07 55.90 2k5t s TYR 40 Cb -0.13 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 2k5t s TYR 40 CO 0.02 -0.45 0.02 0.00 -1.57 0.00 0.00 175.55 173.57 2k5t s ALA 41 N 1.32 3.00 -0.49 3.71 0.00 -0.08 -1.85 121.76 127.37 2k5t s ALA 41 Ca 0.04 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 50.67 2k5t s ALA 41 Cb -0.14 -1.91 0.06 0.00 0.00 0.00 0.00 23.12 21.13 2k5t s ALA 41 CO -0.01 -0.46 0.53 0.00 0.00 0.00 0.00 175.76 175.81 2k5t s ALA 42 N 1.55 3.45 -0.13 0.00 0.00 0.12 -1.41 121.76 125.34 2k5t s ALA 42 Ca 0.06 -1.85 -0.03 0.00 0.00 0.00 0.00 51.96 50.14 2k5t s ALA 42 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2k5t s ALA 42 CO 0.00 -1.87 -0.01 -0.98 0.00 0.00 0.00 175.76 172.90 2k5t s ARG 43 N 2.24 3.41 -1.08 0.00 1.70 0.31 -0.37 118.95 125.17 2k5t s ARG 43 Ca 0.11 -0.45 -0.11 0.00 -0.47 0.00 0.00 55.73 54.80 2k5t s ARG 43 Cb -0.21 -2.89 0.24 0.00 -0.57 0.00 0.00 34.95 31.52 2k5t s ARG 43 CO 0.10 0.45 1.12 0.12 -1.08 0.00 0.00 175.30 176.01 2k5t s PHE 44 N -0.18 3.96 -1.07 5.89 5.36 -0.90 -1.82 117.98 129.23 2k5t s PHE 44 Ca 0.04 -2.39 0.00 0.00 -0.96 0.00 0.00 56.93 53.63 2k5t s PHE 44 Cb -0.13 -3.96 0.00 0.00 -0.34 0.00 0.00 43.02 38.59 2k5t s PHE 44 CO 0.02 -1.08 0.00 -1.71 -1.46 0.00 0.00 175.22 170.99 2k5t n ASN 45 N 3.75 -3.14 0.00 6.13 5.15 -1.26 -4.34 115.26 121.56 2k5t n ASN 45 Ca 0.25 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 2k5t n ASN 45 Cb 0.42 -2.88 0.00 0.00 -0.53 0.00 0.00 39.78 36.79 2k5t n ASN 45 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2k5t n GLU 46 N -2.13 0.00 -3.98 1.20 2.13 -1.26 -5.16 120.64 111.43 2k5t n GLU 46 Ca -0.12 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.48 2k5t n GLU 46 Cb 0.45 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.11 2k5t n GLU 46 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2k5t s ARG 47 N 0.00 2.62 -0.60 5.31 0.52 -1.26 -5.01 118.95 120.53 2k5t s ARG 47 Ca 0.00 -1.34 -0.28 0.00 -0.52 0.00 0.00 55.73 53.59 2k5t s ARG 47 Cb 0.00 -2.38 0.02 0.00 0.52 0.00 0.00 34.95 33.11 2k5t s ARG 47 CO 0.00 0.17 1.38 -0.51 0.02 0.00 0.00 175.30 176.36 2k5t s LEU 48 N -3.90 3.36 0.02 2.53 1.43 -1.26 -2.12 118.68 118.73 2k5t s LEU 48 Ca 0.38 0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.69 2k5t s LEU 48 Cb -0.05 -2.95 -0.23 0.00 0.03 0.00 0.00 46.19 42.99 2k5t s LEU 48 CO 0.25 -1.74 0.89 -0.07 0.23 0.00 0.00 176.35 175.91 2k5t h LEU 49 N 13.08 0.04 -8.13 1.79 3.38 -1.06 -3.46 115.31 120.95 2k5t h LEU 49 Ca -0.27 -0.06 -0.49 0.00 0.09 0.00 0.00 57.88 57.16 2k5t h LEU 49 Cb 1.08 -0.01 -0.30 0.00 0.09 0.00 0.00 40.66 41.52 2k5t h LEU 49 CO 1.20 1.05 -0.81 0.00 0.09 0.00 0.00 178.44 179.97 2k5t s ALA 50 N -2.64 1.17 -0.07 1.53 0.00 -0.75 0.02 121.76 121.02 2k5t s ALA 50 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2k5t s ALA 50 Cb 0.09 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2k5t s ALA 50 CO 0.82 0.23 -0.06 0.00 0.00 0.00 0.00 175.76 176.75 2k5t s ALA 51 N -0.03 1.01 -0.03 0.00 0.00 -0.58 0.11 121.76 122.24 2k5t s ALA 51 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2k5t s ALA 51 Cb -0.08 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.39 2k5t s ALA 51 CO 0.01 -0.18 -0.06 0.54 0.00 0.00 0.00 175.76 176.07 2k5t s VAL 52 N 1.28 0.57 -0.04 0.00 0.11 -0.77 -1.92 120.40 119.61 2k5t s VAL 52 Ca -0.04 -0.21 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 2k5t s VAL 52 Cb -0.14 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2k5t s VAL 52 CO -0.02 0.20 -0.03 -0.13 -3.33 0.00 0.00 175.10 171.78 2k5t s ARG 53 N 0.42 2.79 -0.03 1.54 0.52 -1.05 -0.38 118.95 122.75 2k5t s ARG 53 Ca -0.06 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 2k5t s ARG 53 Cb -0.10 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 32.74 2k5t s ARG 53 CO 0.00 0.66 -0.06 0.54 0.02 0.00 0.00 175.30 176.46 2k5t s VAL 54 N -0.93 0.60 -0.34 3.52 0.11 0.41 -0.35 120.40 123.42 2k5t s VAL 54 Ca 0.15 -0.21 -0.09 0.00 -2.93 0.00 0.00 61.98 58.90 2k5t s VAL 54 Cb -0.11 -0.58 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2k5t s VAL 54 CO 0.05 0.22 0.15 -0.89 -3.33 0.00 0.00 175.10 171.30 2k5t s THR 55 N 0.57 4.25 -1.11 5.04 2.01 0.14 -0.89 115.64 125.64 2k5t s THR 55 Ca -0.08 -0.86 -0.19 0.00 0.31 0.00 0.00 61.69 60.87 2k5t s THR 55 Cb -0.11 -3.32 0.09 0.00 0.01 0.00 0.00 72.50 69.16 2k5t s THR 55 CO 0.00 -0.13 1.46 -0.76 -0.69 0.00 0.00 174.62 174.51 2k5t s LEU 56 N 1.51 4.16 -1.17 4.42 1.43 -0.11 -0.87 118.68 128.05 2k5t s LEU 56 Ca 0.01 -2.10 -0.19 0.00 -1.03 0.00 0.00 54.13 50.83 2k5t s LEU 56 Cb -0.19 -2.51 0.09 0.00 0.03 0.00 0.00 46.19 43.61 2k5t s LEU 56 CO 0.05 -1.20 1.54 -0.55 0.23 0.00 0.00 176.35 176.41 2k5t s SER 57 N 4.15 6.78 1.59 2.29 0.15 0.12 -4.86 113.70 123.91 2k5t s SER 57 Ca 0.45 -2.26 0.00 0.00 0.70 0.00 0.00 55.95 54.84 2k5t s SER 57 Cb -0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2k5t s SER 57 CO -0.03 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.86 2k5t n GLY 58 N 5.53 2.77 0.62 9.45 0.00 -1.26 -1.42 105.19 120.89 2k5t n GLY 58 Ca 0.40 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.52 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 0.12 -4.62 2.61 -2.24 -1.26 -4.86 114.28 104.04 2k5t n THR 59 Ca 0.00 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 2k5t n THR 59 Cb 0.00 0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.88 3.03 -0.35 -0.78 2.02 -0.51 -2.23 118.70 118.01 2k5t s GLU 60 Ca 0.35 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.76 2k5t s GLU 60 Cb 0.20 -2.65 0.08 0.00 0.10 0.00 0.00 34.13 31.86 2k5t s GLU 60 CO 0.30 0.51 0.09 0.20 0.02 0.00 0.00 175.26 176.38 2k5t s GLY 61 N -0.38 1.88 -0.21 -1.39 0.00 0.86 0.15 107.32 108.23 2k5t s GLY 61 Ca 0.05 -2.21 -0.17 0.00 0.00 0.00 0.00 44.72 42.39 2k5t s GLY 61 CO 0.02 0.87 0.46 0.00 0.00 0.00 0.00 173.10 174.46 2k5t s ALA 62 N 1.15 3.55 -0.35 3.20 0.00 -0.05 -0.35 121.76 128.91 2k5t s ALA 62 Ca 0.03 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 2k5t s ALA 62 Cb -0.21 -2.74 -0.00 0.00 0.00 0.00 0.00 23.12 20.16 2k5t s ALA 62 CO -0.04 -0.42 0.52 -0.51 0.00 0.00 0.00 175.76 175.31 2k5t s LEU 63 N 1.59 4.34 -0.14 0.00 1.43 0.17 0.26 118.68 126.34 2k5t s LEU 63 Ca 0.21 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2k5t s LEU 63 Cb -0.15 -2.60 -0.00 0.00 0.03 0.00 0.00 46.19 43.47 2k5t s LEU 63 CO 0.09 -0.48 -0.18 -0.62 0.23 0.00 0.00 176.35 175.39 2k5t s ASP 64 N 1.76 3.53 -0.19 2.29 -1.08 0.53 -2.59 116.67 120.91 2k5t s ASP 64 Ca 0.19 -0.48 -0.02 0.00 -0.52 0.00 0.00 52.55 51.72 2k5t s ASP 64 Cb -0.15 -1.52 0.01 0.00 -1.46 0.00 0.00 42.92 39.79 2k5t s ASP 64 CO 0.13 0.12 0.04 -1.20 0.52 0.00 0.00 175.17 174.78 2k5t n SER 65 N 3.83 -4.85 -4.11 -0.34 7.64 0.28 -2.71 113.62 113.35 2k5t n SER 65 Ca -0.19 0.95 -0.35 0.00 1.01 0.00 0.00 58.87 60.29 2k5t n SER 65 Cb 0.52 -3.90 -0.13 0.00 -1.01 0.00 0.00 64.21 59.70 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 -0.94 4.86 -0.13 -3.43 2.96 -1.25 -2.53 118.68 118.21 2k5t s LEU 66 Ca -0.04 -1.88 -0.02 0.00 -0.22 0.00 0.00 54.13 51.96 2k5t s LEU 66 Cb 0.00 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.97 2k5t s LEU 66 CO 0.53 -0.45 0.03 -0.13 -1.32 0.00 0.00 176.35 175.01 2k5t s ARG 67 N 1.12 0.46 0.09 1.98 0.52 -0.81 -4.74 118.95 117.58 2k5t s ARG 67 Ca 0.06 -0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.18 2k5t s ARG 67 Cb -0.21 -1.45 -0.04 0.00 0.52 0.00 0.00 34.95 33.76 2k5t s ARG 67 CO -0.04 -0.48 0.27 0.08 0.02 0.00 0.00 175.30 175.15 2k5t s VAL 68 N 1.98 5.31 0.30 3.52 1.01 -1.26 -1.53 120.40 129.73 2k5t s VAL 68 Ca 0.03 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 2k5t s VAL 68 Cb -0.14 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 2k5t s VAL 68 CO -0.07 0.09 1.37 0.54 0.00 0.00 0.00 175.10 177.04 2k5t n ARG 69 N 0.16 2.16 0.26 2.72 1.74 0.10 -4.83 116.66 118.98 2k5t n ARG 69 Ca -0.04 0.76 0.18 0.00 -0.77 0.00 0.00 57.85 57.98 2k5t n ARG 69 Cb 0.51 -2.40 0.90 0.00 -1.02 0.00 0.00 32.46 30.46 2k5t n ARG 69 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2k5t h GLU 70 N 3.46 0.00 0.00 5.56 4.81 -1.92 0.14 114.58 126.64 2k5t h GLU 70 Ca -0.46 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.72 2k5t h GLU 70 Cb 1.27 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2k5t h GLU 70 CO 0.70 0.00 -0.27 0.28 -0.73 0.00 0.00 179.01 178.98 2k5t h VAL 71 N 0.00 0.67 -0.18 0.32 2.07 -1.97 -3.24 116.25 113.92 2k5t h VAL 71 Ca 0.00 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2k5t h VAL 71 Cb 0.09 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2k5t h VAL 71 CO 0.00 0.27 0.00 0.41 0.02 0.00 0.00 177.57 178.27 2k5t n THR 72 N -3.45 0.78 -1.96 2.57 -1.04 0.50 -4.82 114.28 106.85 2k5t n THR 72 Ca -0.00 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.05 61.17 2k5t n THR 72 Cb 0.45 -0.37 -0.03 0.00 -1.82 0.00 0.00 70.33 68.57 2k5t n THR 72 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2k5t s ARG 73 N -1.56 4.02 0.00 -2.82 0.52 -1.23 -4.70 118.95 113.19 2k5t s ARG 73 Ca 0.16 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.49 2k5t s ARG 73 Cb 0.12 -4.05 0.00 0.00 0.52 0.00 0.00 34.95 31.55 2k5t s ARG 73 CO 0.05 -1.04 0.00 -2.13 0.02 0.00 0.00 175.30 172.20 2k5t n ARG 74 N 7.41 0.00 0.00 3.54 0.63 -1.26 -5.14 116.66 121.84 2k5t n ARG 74 Ca 0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 2k5t n ARG 74 Cb 0.43 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.34 2k5t n ARG 74 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2k5t n ARG 75 N 0.00 0.00 0.00 -0.14 0.63 -1.26 -5.05 116.66 110.84 2k5t n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2k5t n ARG 75 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2k5t n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k5t n GLY 76 N 0.00 3.07 0.32 5.14 0.00 -1.26 -4.97 105.19 107.49 2k5t n GLY 76 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 0.28 -0.56 1.61 2.07 -1.97 0.45 116.25 118.13 2k5t h VAL 77 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k5t h VAL 77 Cb 0.00 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 2k5t h VAL 77 CO 0.00 0.00 0.32 1.23 0.02 0.00 0.00 177.57 179.14 2k5t h GLY 78 N -0.29 0.82 0.84 2.17 0.00 -1.93 0.14 103.07 104.82 2k5t h GLY 78 Ca 0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 2k5t h GLY 78 CO -0.45 0.35 -0.00 -1.61 0.00 0.00 0.00 176.54 174.82 2k5t h GLN 79 N 0.75 0.42 -0.92 4.80 4.15 -1.78 -2.75 115.11 119.79 2k5t h GLN 79 Ca 0.20 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.49 2k5t h GLN 79 Cb 0.01 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.62 2k5t h GLN 79 CO -0.03 0.60 0.60 -0.92 -1.93 0.00 0.00 178.83 177.15 2k5t h TYR 80 N 0.19 1.16 -0.18 3.99 3.20 0.04 -1.05 116.97 124.33 2k5t h TYR 80 Ca 0.07 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.01 2k5t h TYR 80 Cb 0.41 -0.39 -0.07 0.00 1.54 0.00 0.00 36.73 38.22 2k5t h TYR 80 CO 0.04 0.74 -0.35 1.25 -1.64 0.00 0.00 178.16 178.20 2k5t h LEU 81 N 1.25 -1.10 -0.41 2.82 5.85 -0.45 0.41 115.31 123.69 2k5t h LEU 81 Ca 0.34 0.16 -0.06 0.00 0.84 0.00 0.00 57.88 59.16 2k5t h LEU 81 Cb -0.13 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2k5t h LEU 81 CO -0.07 -0.37 0.03 -0.07 -0.34 0.00 0.00 178.44 177.62 2k5t h LEU 82 N -0.40 0.68 -0.90 2.25 -0.00 -1.20 -2.44 115.31 113.31 2k5t h LEU 82 Ca 0.10 -0.29 -0.03 0.00 -0.00 0.00 0.00 57.88 57.66 2k5t h LEU 82 Cb 0.57 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.01 2k5t h LEU 82 CO -0.40 0.80 0.36 -0.33 -0.00 0.00 0.00 178.44 178.87 2k5t h GLU 83 N 0.54 1.16 -0.32 1.13 5.08 -0.79 -2.57 114.58 118.81 2k5t h GLU 83 Ca 0.12 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2k5t h GLU 83 Cb 0.43 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k5t h GLU 83 CO 0.01 0.90 -0.03 1.49 -1.00 0.00 0.00 179.01 180.39 2k5t h GLU 84 N 1.14 0.58 -0.61 2.33 4.57 -0.07 -1.05 114.58 121.48 2k5t h GLU 84 Ca 0.27 -0.20 0.03 0.00 -1.18 0.00 0.00 59.36 58.28 2k5t h GLU 84 Cb 0.15 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 2k5t h GLU 84 CO -0.03 0.73 0.38 0.28 -1.18 0.00 0.00 179.01 179.19 2k5t h VAL 85 N 0.37 1.08 0.00 0.32 2.07 -1.25 0.45 116.25 119.30 2k5t h VAL 85 Ca 0.09 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2k5t h VAL 85 Cb 0.49 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2k5t h VAL 85 CO 0.02 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.68 2k5t h LEU 86 N 0.75 0.00 0.11 2.57 4.07 -1.38 -0.33 115.31 121.10 2k5t h LEU 86 Ca 0.24 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.88 2k5t h LEU 86 Cb 0.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 2k5t h LEU 86 CO -0.10 0.00 -1.74 -0.09 -1.08 0.00 0.00 178.44 175.43 2k5t h ARG 87 N 0.00 0.24 -0.03 1.13 1.12 -0.42 -3.05 114.38 113.36 2k5t h ARG 87 Ca 0.00 -0.41 -0.15 0.00 -1.11 0.00 0.00 59.98 58.32 2k5t h ARG 87 Cb 0.81 0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.90 2k5t h ARG 87 CO 0.00 1.19 -0.65 -0.97 -3.11 0.00 0.00 179.97 176.43 2k5t h ASN 88 N -0.17 0.16 -2.69 -3.80 -1.24 -0.16 -3.33 115.58 104.36 2k5t h ASN 88 Ca -0.38 -0.10 -0.61 0.00 0.71 0.00 0.00 56.30 55.92 2k5t h ASN 88 Cb 1.88 -0.05 -0.41 0.00 0.73 0.00 0.00 38.32 40.46 2k5t h ASN 88 CO 0.05 0.76 -0.64 -3.20 -1.29 0.00 0.00 177.43 173.11 2k5t n ASN 89 N -3.81 2.77 -1.33 1.15 5.15 -0.14 -4.91 115.26 114.14 2k5t n ASN 89 Ca -0.02 -3.18 0.07 0.00 -0.60 0.00 0.00 54.58 50.85 2k5t n ASN 89 Cb 0.65 -0.71 0.28 0.00 -0.53 0.00 0.00 39.78 39.47 2k5t n ASN 89 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2k5t n PRO 90 N 1.68 3.26 -0.03 1.20 -0.04 -1.15 -4.23 135.00 135.69 2k5t n PRO 90 Ca 0.24 -2.19 0.12 0.00 -0.04 0.00 0.00 63.50 61.63 2k5t n PRO 90 Cb 0.39 -1.82 0.54 0.00 -0.04 0.00 0.00 33.50 32.57 2k5t n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5t n GLY 91 N 0.82 -0.20 3.70 0.55 0.00 -1.26 -4.79 105.19 104.00 2k5t n GLY 91 Ca 0.20 -0.35 -0.35 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 -1.92 5.31 -0.10 1.61 1.01 -1.26 -4.98 120.40 120.06 2k5t s VAL 92 Ca 0.36 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.54 2k5t s VAL 92 Cb 0.19 -3.44 -0.24 0.00 0.00 0.00 0.00 36.38 32.89 2k5t s VAL 92 CO 0.30 0.42 0.44 -1.20 0.00 0.00 0.00 175.10 175.05 2k5t n SER 93 N 3.73 1.39 -4.07 3.32 7.64 -1.11 -4.76 113.62 119.76 2k5t n SER 93 Ca -0.16 0.26 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 2k5t n SER 93 Cb 0.52 -0.33 -0.14 0.00 -1.01 0.00 0.00 64.21 63.25 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 1.03 3.67 0.01 0.00 0.52 0.32 -0.10 118.94 124.40 2k5t s TRP 95 Ca 0.05 1.00 0.02 0.00 0.02 0.00 0.00 56.10 57.19 2k5t s TRP 95 Cb -0.20 -2.31 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 2k5t s TRP 95 CO -0.06 0.55 -0.07 -0.46 0.02 0.00 0.00 176.95 176.93 2k5t s TRP 96 N -1.26 0.64 -0.08 -1.98 -0.11 0.53 0.00 118.94 116.68 2k5t s TRP 96 Ca 0.30 -0.21 0.01 0.00 1.22 0.00 0.00 56.10 57.43 2k5t s TRP 96 Cb -0.16 -0.40 0.02 0.00 -1.50 0.00 0.00 33.47 31.43 2k5t s TRP 96 CO 0.17 -0.02 -0.09 -1.64 -4.62 0.00 0.00 176.95 170.75 2k5t s MET 97 N -0.51 1.48 0.46 5.86 -1.94 0.12 0.43 119.30 125.20 2k5t s MET 97 Ca -0.00 -0.29 0.08 0.00 -1.71 0.00 0.00 55.69 53.77 2k5t s MET 97 Cb -0.04 -1.38 0.02 0.00 2.01 0.00 0.00 34.83 35.43 2k5t s MET 97 CO -0.00 -0.11 0.55 0.00 -0.01 0.00 0.00 175.02 175.45 2k5t s ALA 98 N 1.14 4.42 -1.14 3.03 0.00 -1.07 -1.51 121.76 126.64 2k5t s ALA 98 Ca -0.06 -1.80 0.28 0.00 0.00 0.00 0.00 51.96 50.38 2k5t s ALA 98 Cb -0.14 -1.35 1.27 0.00 0.00 0.00 0.00 23.12 22.90 2k5t s ALA 98 CO -0.02 -0.39 1.92 -0.25 0.00 0.00 0.00 175.76 177.03 2k5t n ASP 99 N -1.83 0.00 -4.67 0.00 9.92 -1.26 -4.79 116.55 113.92 2k5t n ASP 99 Ca 0.07 0.30 -0.42 0.00 -0.53 0.00 0.00 54.79 54.22 2k5t n ASP 99 Cb 0.61 -0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 40.63 2k5t n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k5t s ALA 100 N -2.86 3.63 0.00 2.24 0.00 -1.26 -1.33 121.76 122.17 2k5t s ALA 100 Ca 0.18 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2k5t s ALA 100 Cb 0.19 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2k5t s ALA 100 CO 0.49 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 175.26 2k5t n GLY 101 N 4.26 0.51 2.82 0.00 0.00 -1.26 -0.56 105.19 110.97 2k5t n GLY 101 Ca 0.18 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 1.74 -0.50 1.61 1.01 -0.44 -3.90 120.40 117.92 2k5t s VAL 102 Ca 0.00 -2.51 0.24 0.00 0.00 0.00 0.00 61.98 59.70 2k5t s VAL 102 Cb 0.00 -2.24 0.17 0.00 0.00 0.00 0.00 36.38 34.30 2k5t s VAL 102 CO 0.00 -0.79 1.42 -0.33 0.00 0.00 0.00 175.10 175.41 2k5t h GLU 103 N 7.04 0.00 -2.69 2.72 3.07 -1.95 -3.38 114.58 119.39 2k5t h GLU 103 Ca -0.05 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.12 2k5t h GLU 103 Cb 0.95 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 28.49 2k5t h GLU 103 CO 0.54 0.00 -0.10 -0.25 -1.40 0.00 0.00 179.01 177.79 2k5t n ASP 104 N -2.57 4.55 0.09 1.42 9.92 -1.26 -4.88 116.55 123.82 2k5t n ASP 104 Ca 0.03 -3.35 -0.08 0.00 -0.53 0.00 0.00 54.79 50.86 2k5t n ASP 104 Cb 0.49 -0.92 -0.00 0.00 -0.64 0.00 0.00 41.12 40.04 2k5t n ASP 104 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2k5t h ARG 105 N 4.99 0.15 0.33 -1.24 2.43 -1.99 -2.81 114.38 116.25 2k5t h ARG 105 Ca 0.19 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2k5t h ARG 105 Cb 0.69 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2k5t h ARG 105 CO 0.97 0.92 -0.16 0.78 -1.51 0.00 0.00 179.97 180.97 2k5t h GLY 106 N 2.00 -0.47 0.79 2.80 0.00 -1.96 0.43 103.07 106.66 2k5t h GLY 106 Ca -0.04 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.52 2k5t h GLY 106 CO 0.13 -0.17 0.51 -2.08 0.00 0.00 0.00 176.54 174.93 2k5t h VAL 107 N -0.49 1.07 0.00 4.60 2.07 -1.99 -0.87 116.25 120.65 2k5t h VAL 107 Ca -0.05 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 2k5t h VAL 107 Cb 0.37 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2k5t h VAL 107 CO 0.08 0.17 -0.24 -0.03 0.02 0.00 0.00 177.57 177.57 2k5t h MET 108 N 0.96 0.00 -0.12 1.57 -1.53 -1.20 -2.26 114.93 112.35 2k5t h MET 108 Ca 0.34 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.60 2k5t h MET 108 Cb 0.10 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.14 2k5t h MET 108 CO -0.15 0.24 0.05 1.15 0.14 0.00 0.00 176.91 178.35 2k5t h THR 109 N 0.00 1.14 -0.34 -0.77 2.02 0.13 0.25 112.91 115.34 2k5t h THR 109 Ca -0.00 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 2k5t h THR 109 Cb 0.66 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2k5t h THR 109 CO 0.03 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.05 2k5t h ALA 110 N 0.90 1.38 -0.61 6.16 0.00 -1.34 -2.35 119.26 123.40 2k5t h ALA 110 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2k5t h ALA 110 Cb 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2k5t h ALA 110 CO -0.00 0.43 0.24 0.35 0.00 0.00 0.00 179.25 180.27 2k5t h PHE 111 N 0.50 0.93 -0.83 0.00 3.57 -0.85 -2.18 116.94 118.09 2k5t h PHE 111 Ca 0.11 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2k5t h PHE 111 Cb 0.32 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2k5t h PHE 111 CO 0.01 0.74 0.37 0.52 -2.23 0.00 0.00 178.31 177.72 2k5t h MET 112 N 0.85 1.22 0.00 1.11 2.86 -0.02 -0.79 114.93 120.17 2k5t h MET 112 Ca 0.20 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 2k5t h MET 112 Cb 0.21 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2k5t h MET 112 CO -0.02 0.96 -0.33 1.96 1.06 0.00 0.00 176.91 180.54 2k5t h GLN 113 N 1.20 0.00 -0.03 1.72 4.20 -1.23 0.12 115.11 121.09 2k5t h GLN 113 Ca 0.28 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.74 2k5t h GLN 113 Cb 0.17 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.97 2k5t h GLN 113 CO -0.03 0.33 -0.95 0.00 -0.67 0.00 0.00 178.83 177.51 2k5t h ALA 114 N 1.67 0.15 0.65 3.87 0.00 -0.77 -3.35 119.26 121.47 2k5t h ALA 114 Ca -0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 2k5t h ALA 114 Cb 0.72 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2k5t h ALA 114 CO 0.04 0.65 -0.31 -0.07 0.00 0.00 0.00 179.25 179.56 2k5t h LEU 115 N 0.37 -0.73 0.00 0.00 3.38 -0.81 -3.49 115.31 114.04 2k5t h LEU 115 Ca -0.11 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k5t h LEU 115 Cb 1.61 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2k5t h LEU 115 CO 0.19 -0.38 0.00 0.61 0.09 0.00 0.00 178.44 178.95 2k5t n GLY 116 N -0.55 0.48 3.60 0.83 0.00 0.36 -5.10 105.19 104.81 2k5t n GLY 116 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.15 2.96 0.09 1.61 0.40 -0.78 -4.89 117.98 117.22 2k5t s PHE 117 Ca 0.00 0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.24 2k5t s PHE 117 Cb 0.00 -1.69 -0.06 0.00 0.51 0.00 0.00 43.02 41.78 2k5t s PHE 117 CO 0.00 0.37 0.46 0.95 0.70 0.00 0.00 175.22 177.70 2k5t s THR 118 N -0.89 4.99 0.08 0.64 -4.23 0.76 -4.64 115.64 112.34 2k5t s THR 118 Ca 0.14 0.67 -0.04 0.00 -1.18 0.00 0.00 61.69 61.29 2k5t s THR 118 Cb -0.11 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 2k5t s THR 118 CO 0.04 0.33 0.29 0.42 -0.54 0.00 0.00 174.62 175.16 2k5t s THR 119 N -1.36 5.28 0.00 3.99 -4.23 -1.26 -0.05 115.64 118.00 2k5t s THR 119 Ca 0.33 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2k5t s THR 119 Cb -0.15 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2k5t s THR 119 CO 0.18 0.17 0.00 0.00 -0.54 0.00 0.00 174.62 174.43 2k5t n GLN 120 N 0.47 2.79 0.00 3.99 6.02 -0.51 -4.92 117.38 125.23 2k5t n GLN 120 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2k5t n GLN 120 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 2k5t n GLN 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k5t n GLN 121 N 0.00 0.97 0.00 -1.09 10.64 -1.26 -4.27 117.38 122.36 2k5t n GLN 121 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2k5t n GLN 121 Cb 0.00 -1.03 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 2k5t n GLN 121 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k5t n GLY 122 N 0.50 -0.40 0.00 2.61 0.00 -1.26 -5.17 105.19 101.47 2k5t n GLY 122 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.24 3.41 -0.02 0.00 -1.26 -4.93 105.19 105.64 2k5t n GLY 123 Ca 0.00 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.00 2.78 0.05 1.61 0.51 -0.57 -1.42 118.94 119.91 2k5t s TRP 124 Ca 0.00 -0.46 0.08 0.00 -2.12 0.00 0.00 56.10 53.60 2k5t s TRP 124 Cb 0.00 -1.77 -0.03 0.00 -0.81 0.00 0.00 33.47 30.86 2k5t s TRP 124 CO 0.00 -0.07 -0.23 -2.00 -0.51 0.00 0.00 176.95 174.15 2k5t s GLU 125 N -0.03 1.49 -0.32 4.98 2.12 0.93 0.15 118.70 128.03 2k5t s GLU 125 Ca -0.03 -1.02 -0.02 0.00 0.36 0.00 0.00 54.97 54.26 2k5t s GLU 125 Cb -0.14 -1.65 0.11 0.00 0.26 0.00 0.00 34.13 32.71 2k5t s GLU 125 CO 0.04 0.42 0.15 0.21 -0.54 0.00 0.00 175.26 175.54 2k5t s LYS 126 N -1.28 0.48 -0.02 4.30 2.20 0.10 -0.17 119.74 125.35 2k5t s LYS 126 Ca 0.09 -0.96 -0.22 0.00 -0.36 0.00 0.00 55.97 54.52 2k5t s LYS 126 Cb -0.09 -1.48 -0.05 0.00 -1.51 0.00 0.00 37.83 34.70 2k5t s LYS 126 CO 0.02 -1.07 0.64 0.00 -0.36 0.00 0.00 175.35 174.58