#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 3.19 -0.13 0.03 1.02 -1.26 -5.09 119.74 117.50 2k5t s LYS 2 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.16 2k5t s LYS 2 Cb 0.00 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 2k5t s LYS 2 CO 0.00 0.46 1.18 -1.17 -0.92 0.00 0.00 175.35 174.90 2k5t s LEU 3 N -0.25 4.21 -0.23 3.17 2.96 -1.26 -5.00 118.68 122.28 2k5t s LEU 3 Ca 0.04 1.66 -0.19 0.00 -0.22 0.00 0.00 54.13 55.41 2k5t s LEU 3 Cb -0.13 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2k5t s LEU 3 CO 0.02 -0.65 0.58 0.42 -1.32 0.00 0.00 176.35 175.40 2k5t s THR 4 N 2.86 5.04 -0.15 3.68 -4.23 -1.24 -4.97 115.64 116.63 2k5t s THR 4 Ca 0.53 1.05 0.01 0.00 -1.18 0.00 0.00 61.69 62.09 2k5t s THR 4 Cb -0.21 -3.89 -0.00 0.00 1.34 0.00 0.00 72.50 69.74 2k5t s THR 4 CO 0.16 0.10 -0.17 0.27 -0.54 0.00 0.00 174.62 174.44 2k5t s ILE 5 N 2.11 2.54 0.09 2.99 -0.00 -1.26 -0.63 121.20 127.04 2k5t s ILE 5 Ca 0.25 -0.82 0.02 0.00 -0.00 0.00 0.00 60.65 60.11 2k5t s ILE 5 Cb -0.16 -2.06 -0.04 0.00 -0.00 0.00 0.00 42.46 40.21 2k5t s ILE 5 CO 0.09 0.52 0.15 -0.63 -0.00 0.00 0.00 174.94 175.08 2k5t s ILE 6 N 0.75 4.86 -0.48 8.37 -1.09 0.31 -4.86 121.20 129.06 2k5t s ILE 6 Ca -0.07 -0.70 -0.18 0.00 -2.23 0.00 0.00 60.65 57.47 2k5t s ILE 6 Cb -0.16 -3.39 0.05 0.00 -1.58 0.00 0.00 42.46 37.39 2k5t s ILE 6 CO 0.01 0.07 0.56 0.00 -1.23 0.00 0.00 174.94 174.35 2k5t s ARG 7 N -2.63 3.10 -1.15 2.79 1.70 -1.26 0.06 118.95 121.56 2k5t s ARG 7 Ca 0.32 -0.91 -0.21 0.00 -0.47 0.00 0.00 55.73 54.45 2k5t s ARG 7 Cb -0.12 -4.08 0.01 0.00 -0.57 0.00 0.00 34.95 30.19 2k5t s ARG 7 CO 0.25 -1.12 1.75 -0.51 -1.08 0.00 0.00 175.30 174.59 2k5t s LEU 8 N 2.41 3.47 0.21 -1.89 1.43 0.62 -4.66 118.68 120.27 2k5t s LEU 8 Ca 0.13 -1.77 0.14 0.00 -1.03 0.00 0.00 54.13 51.60 2k5t s LEU 8 Cb -0.19 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 2k5t s LEU 8 CO 0.12 -1.96 1.30 -0.33 0.23 0.00 0.00 176.35 175.71 2k5t h GLU 9 N 9.15 0.00 -2.86 1.70 5.08 -1.94 -3.39 114.58 122.32 2k5t h GLU 9 Ca 0.28 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.45 2k5t h GLU 9 Cb 0.94 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.88 2k5t h GLU 9 CO 1.36 0.56 -0.49 0.15 -1.00 0.00 0.00 179.01 179.58 2k5t s LYS 10 N -2.90 0.19 -0.08 2.33 1.02 -1.26 -4.78 119.74 114.25 2k5t s LYS 10 Ca 0.02 0.72 -0.16 0.00 0.02 0.00 0.00 55.97 56.58 2k5t s LYS 10 Cb 0.08 -0.02 -0.05 0.00 -0.52 0.00 0.00 37.83 37.32 2k5t s LYS 10 CO 0.77 -0.25 0.41 -0.06 -0.92 0.00 0.00 175.35 175.30 2k5t s PHE 11 N 2.10 3.58 0.95 3.18 0.08 -1.26 -5.08 117.98 121.53 2k5t s PHE 11 Ca -0.02 0.86 -0.15 0.00 0.12 0.00 0.00 56.93 57.75 2k5t s PHE 11 Cb -0.11 -2.41 0.17 0.00 -0.57 0.00 0.00 43.02 40.10 2k5t s PHE 11 CO -0.09 0.36 1.22 -1.12 -0.10 0.00 0.00 175.22 175.49 2k5t s SER 12 N -0.05 3.23 0.10 1.36 0.01 -1.26 -4.84 113.70 112.26 2k5t s SER 12 Ca 0.23 0.59 -0.17 0.00 1.31 0.00 0.00 55.95 57.91 2k5t s SER 12 Cb -0.15 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.14 2k5t s SER 12 CO 0.10 -2.69 1.58 -2.24 0.41 0.00 0.00 173.24 170.40 2k5t h ASP 13 N -1.60 0.49 -0.77 2.44 2.03 -1.99 -1.08 116.42 115.94 2k5t h ASP 13 Ca -0.46 -0.25 -0.05 0.00 -0.73 0.00 0.00 57.03 55.53 2k5t h ASP 13 Cb 1.29 -0.13 -0.03 0.00 -0.83 0.00 0.00 39.33 39.62 2k5t h ASP 13 CO 0.49 0.62 0.27 -0.61 -1.03 0.00 0.00 179.24 178.98 2k5t h GLN 14 N 0.33 1.17 -0.07 4.15 4.15 -1.99 -1.75 115.11 121.10 2k5t h GLN 14 Ca 0.09 -0.24 0.02 0.00 0.77 0.00 0.00 58.65 59.30 2k5t h GLN 14 Cb 0.33 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2k5t h GLN 14 CO 0.01 0.98 -0.08 -0.44 -1.93 0.00 0.00 178.83 177.36 2k5t h ASP 15 N 1.13 -0.24 0.26 -0.69 3.32 -1.86 0.43 116.42 118.77 2k5t h ASP 15 Ca 0.25 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 2k5t h ASP 15 Cb 0.27 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2k5t h ASP 15 CO -0.01 -0.11 -0.29 -0.09 -1.72 0.00 0.00 179.24 177.02 2k5t h ARG 16 N -0.10 0.05 -0.20 3.56 2.43 -0.99 -0.18 114.38 118.95 2k5t h ARG 16 Ca 0.06 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.00 2k5t h ARG 16 Cb 0.18 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2k5t h ARG 16 CO -0.13 0.34 -0.69 0.82 -1.51 0.00 0.00 179.97 178.80 2k5t h ILE 17 N 0.05 1.28 -0.19 1.20 2.04 -0.68 -0.06 117.51 121.14 2k5t h ILE 17 Ca 0.01 -1.89 -0.13 0.00 1.00 0.00 0.00 64.86 63.84 2k5t h ILE 17 Cb 0.54 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 2k5t h ILE 17 CO 0.04 0.60 -0.43 -0.78 0.00 0.00 0.00 178.15 177.58 2k5t h ASP 18 N 0.57 0.50 0.01 1.72 3.58 -0.51 -1.63 116.42 120.67 2k5t h ASP 18 Ca -0.03 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.14 2k5t h ASP 18 Cb 1.31 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2k5t h ASP 18 CO 0.14 0.87 -0.14 -0.07 -2.88 0.00 0.00 179.24 177.17 2k5t h LEU 19 N 0.39 0.25 -1.16 2.28 3.38 -0.95 -1.73 115.31 117.76 2k5t h LEU 19 Ca 0.03 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2k5t h LEU 19 Cb 0.92 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2k5t h LEU 19 CO 0.08 0.41 -0.19 -0.61 0.09 0.00 0.00 178.44 178.22 2k5t h GLN 20 N 0.25 0.00 -0.27 1.13 4.15 -0.16 0.44 115.11 120.65 2k5t h GLN 20 Ca 0.05 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.30 2k5t h GLN 20 Cb 0.40 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 2k5t h GLN 20 CO 0.02 0.19 -0.49 0.87 -1.93 0.00 0.00 178.83 177.49 2k5t h LYS 21 N 0.00 0.75 -0.08 1.69 1.57 -0.44 -2.30 116.57 117.77 2k5t h LYS 21 Ca -0.00 -0.44 -0.14 0.00 -1.87 0.00 0.00 60.65 58.19 2k5t h LYS 21 Cb 0.71 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.07 2k5t h LYS 21 CO 0.02 1.07 -0.50 0.82 -0.57 0.00 0.00 179.45 180.29 2k5t h ILE 22 N 0.59 1.39 -3.30 1.86 2.04 -0.96 -3.39 117.51 115.75 2k5t h ILE 22 Ca 0.03 -1.87 -0.63 0.00 1.00 0.00 0.00 64.86 63.39 2k5t h ILE 22 Cb 1.06 2.29 -0.41 0.00 -0.74 0.00 0.00 36.82 39.03 2k5t h ILE 22 CO 0.10 0.55 -0.64 0.26 0.00 0.00 0.00 178.15 178.43 2k5t s TRP 23 N -3.58 3.02 0.22 1.37 0.51 0.15 -4.97 118.94 115.67 2k5t s TRP 23 Ca -0.13 -3.08 -0.07 0.00 -2.12 0.00 0.00 56.10 50.70 2k5t s TRP 23 Cb 0.05 -2.67 0.19 0.00 -0.81 0.00 0.00 33.47 30.23 2k5t s TRP 23 CO 0.82 -0.73 1.82 -1.35 -0.51 0.00 0.00 176.95 177.00 2k5t h PRO 24 N 6.44 1.24 -2.67 4.98 0.11 -1.62 -3.36 132.00 137.11 2k5t h PRO 24 Ca -0.05 -0.18 -0.60 0.00 0.11 0.00 0.00 66.00 65.28 2k5t h PRO 24 Cb 0.89 -0.23 -0.39 0.00 0.11 0.00 0.00 31.00 31.38 2k5t h PRO 24 CO 0.66 0.94 -0.83 -1.21 -0.21 0.00 0.00 178.00 177.35 2k5t s GLU 25 N -5.72 1.23 0.11 1.05 2.02 -1.26 -5.01 118.70 111.11 2k5t s GLU 25 Ca -0.13 -2.21 0.07 0.00 0.02 0.00 0.00 54.97 52.73 2k5t s GLU 25 Cb 0.16 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 2k5t s GLU 25 CO 0.83 -1.29 -0.17 -0.47 0.02 0.00 0.00 175.26 174.18 2k5t s TYR 26 N -0.01 1.52 -0.06 1.61 6.14 -1.26 -5.10 117.35 120.18 2k5t s TYR 26 Ca 0.26 -0.47 -0.29 0.00 0.64 0.00 0.00 57.07 57.20 2k5t s TYR 26 Cb -0.08 -0.82 -0.07 0.00 0.42 0.00 0.00 41.96 41.42 2k5t s TYR 26 CO -0.12 0.16 1.88 -1.12 0.64 0.00 0.00 175.55 176.99 2k5t s SER 27 N -2.10 6.34 0.32 4.32 0.01 -1.26 -4.89 113.70 116.44 2k5t s SER 27 Ca 0.06 2.29 0.01 0.00 1.31 0.00 0.00 55.95 59.62 2k5t s SER 27 Cb -0.08 -2.53 0.54 0.00 0.21 0.00 0.00 66.02 64.16 2k5t s SER 27 CO 0.04 -1.19 1.92 -0.65 0.41 0.00 0.00 173.24 173.76 2k5t h PRO 28 N 11.04 0.79 0.00 12.44 0.11 -2.01 -2.11 132.00 152.26 2k5t h PRO 28 Ca -0.43 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 2k5t h PRO 28 Cb 1.21 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2k5t h PRO 28 CO 0.96 0.63 -0.13 0.77 -0.21 0.00 0.00 178.00 180.01 2k5t h SER 29 N 0.79 0.00 0.72 -2.05 0.02 -2.02 -1.77 113.55 109.24 2k5t h SER 29 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2k5t h SER 29 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2k5t h SER 29 CO -0.02 0.13 0.00 -0.24 -1.14 0.00 0.00 176.83 175.56 2k5t n SER 30 N -3.35 0.00 -0.58 3.07 2.88 -0.79 -2.69 113.62 112.14 2k5t n SER 30 Ca -0.00 0.24 0.02 0.00 -1.33 0.00 0.00 58.87 57.80 2k5t n SER 30 Cb 0.34 -0.41 0.07 0.00 -0.75 0.00 0.00 64.21 63.46 2k5t n SER 30 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k5t n LEU 31 N -1.41 1.49 -4.70 2.46 4.77 -0.66 -4.85 117.00 114.09 2k5t n LEU 31 Ca 0.09 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 54.90 2k5t n LEU 31 Cb 0.26 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2k5t n LEU 31 CO 0.22 0.27 0.99 -1.58 -1.33 0.00 0.00 177.39 175.97 2k5t s GLN 32 N -1.51 4.36 -0.19 3.23 0.74 -1.10 -5.01 119.66 120.19 2k5t s GLN 32 Ca 0.10 1.87 -0.02 0.00 0.05 0.00 0.00 55.36 57.35 2k5t s GLN 32 Cb 0.07 -3.41 -0.01 0.00 1.10 0.00 0.00 33.01 30.77 2k5t s GLN 32 CO 0.04 -0.40 -0.08 0.08 -0.55 0.00 0.00 175.29 174.39 2k5t s VAL 33 N 1.54 3.17 0.04 1.34 1.01 -1.26 -4.84 120.40 121.40 2k5t s VAL 33 Ca 0.61 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 2k5t s VAL 33 Cb -0.31 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2k5t s VAL 33 CO 0.28 0.46 0.05 -0.67 0.00 0.00 0.00 175.10 175.22 2k5t n ASP 34 N 4.41 -0.14 0.12 3.32 -0.08 0.40 -4.98 116.55 119.60 2k5t n ASP 34 Ca -0.18 -1.20 -0.01 0.00 -1.51 0.00 0.00 54.79 51.88 2k5t n ASP 34 Cb 0.51 0.26 0.22 0.00 2.34 0.00 0.00 41.12 44.46 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 0.21 0.14 0.64 1.67 3.58 -1.98 -2.55 116.42 118.13 2k5t h ASP 35 Ca -0.03 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2k5t h ASP 35 Cb 0.12 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2k5t h ASP 35 CO 0.04 0.61 -0.17 0.59 -2.88 0.00 0.00 179.24 177.42 2k5t n ASN 36 N -3.96 0.29 -3.30 2.28 5.03 -1.26 -4.40 115.26 109.94 2k5t n ASN 36 Ca -0.02 -0.08 -0.09 0.00 0.87 0.00 0.00 54.58 55.27 2k5t n ASN 36 Cb 0.52 -0.15 -0.06 0.00 -1.02 0.00 0.00 39.78 39.08 2k5t n ASN 36 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 2k5t s HIS 37 N -2.81 -1.00 -0.09 3.10 2.46 -0.96 -0.44 115.29 115.55 2k5t s HIS 37 Ca 0.18 0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.89 2k5t s HIS 37 Cb 0.19 -0.14 -0.02 0.00 -0.13 0.00 0.00 32.58 32.48 2k5t s HIS 37 CO 0.56 -1.01 -0.10 1.03 -2.47 0.00 0.00 174.74 172.76 2k5t s ARG 38 N 2.33 3.01 -0.29 2.88 0.52 -0.10 -0.46 118.95 126.85 2k5t s ARG 38 Ca 0.11 -0.61 -0.10 0.00 -0.52 0.00 0.00 55.73 54.61 2k5t s ARG 38 Cb -0.12 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 2k5t s ARG 38 CO -0.24 0.47 0.17 0.42 0.02 0.00 0.00 175.30 176.14 2k5t s ILE 39 N -0.30 5.05 -0.23 1.52 1.01 -1.26 -0.87 121.20 126.12 2k5t s ILE 39 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 2k5t s ILE 39 Cb -0.13 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 2k5t s ILE 39 CO 0.03 0.20 0.14 -0.31 0.00 0.00 0.00 174.94 175.00 2k5t s TYR 40 N 1.71 3.30 -0.25 3.97 1.51 0.92 -0.27 117.35 128.24 2k5t s TYR 40 Ca 0.06 0.18 -0.06 0.00 -1.01 0.00 0.00 57.07 56.24 2k5t s TYR 40 Cb -0.16 -2.25 -0.02 0.00 -0.11 0.00 0.00 41.96 39.42 2k5t s TYR 40 CO 0.09 0.05 0.04 0.00 -1.11 0.00 0.00 175.55 174.62 2k5t s ALA 41 N 1.01 3.05 -0.35 3.71 0.00 0.11 -1.36 121.76 127.92 2k5t s ALA 41 Ca 0.07 -1.18 -0.19 0.00 0.00 0.00 0.00 51.96 50.65 2k5t s ALA 41 Cb -0.13 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2k5t s ALA 41 CO 0.04 -0.53 0.58 0.00 0.00 0.00 0.00 175.76 175.85 2k5t s ALA 42 N 1.56 3.47 -0.13 0.00 0.00 0.50 -0.53 121.76 126.62 2k5t s ALA 42 Ca 0.06 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 2k5t s ALA 42 Cb -0.15 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2k5t s ALA 42 CO 0.01 -1.29 -0.05 -0.98 0.00 0.00 0.00 175.76 173.45 2k5t s ARG 43 N 2.57 3.43 -0.52 0.00 1.70 0.19 0.37 118.95 126.70 2k5t s ARG 43 Ca 0.22 -0.54 -0.17 0.00 -0.47 0.00 0.00 55.73 54.77 2k5t s ARG 43 Cb -0.15 -2.82 0.09 0.00 -0.57 0.00 0.00 34.95 31.51 2k5t s ARG 43 CO 0.14 0.35 0.52 0.12 -1.08 0.00 0.00 175.30 175.34 2k5t s PHE 44 N 0.07 3.17 0.00 5.89 5.36 0.29 -3.72 117.98 129.03 2k5t s PHE 44 Ca -0.01 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 54.99 2k5t s PHE 44 Cb -0.14 -3.56 0.00 0.00 -0.34 0.00 0.00 43.02 38.98 2k5t s PHE 44 CO 0.03 -0.99 0.00 -1.71 -1.46 0.00 0.00 175.22 171.09 2k5t n ASN 45 N 5.58 0.00 0.15 6.13 5.15 -1.26 -3.42 115.26 127.59 2k5t n ASN 45 Ca -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2k5t n ASN 45 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 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 0.00 0.00 -2.92 1.20 2.13 -1.26 -5.15 120.64 114.64 2k5t n GLU 46 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 2k5t n GLU 46 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 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 -2.00 3.86 -0.05 5.31 0.52 -1.22 -4.81 118.95 120.55 2k5t s ARG 47 Ca 0.00 0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 55.47 2k5t s ARG 47 Cb 0.00 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 2k5t s ARG 47 CO 0.00 0.01 1.42 -0.51 0.02 0.00 0.00 175.30 176.24 2k5t s LEU 48 N -3.58 4.28 -0.01 2.53 1.43 -1.26 -0.55 118.68 121.52 2k5t s LEU 48 Ca 0.53 2.03 0.16 0.00 -1.03 0.00 0.00 54.13 55.82 2k5t s LEU 48 Cb -0.10 -3.55 -0.21 0.00 0.03 0.00 0.00 46.19 42.36 2k5t s LEU 48 CO 0.27 -0.77 0.51 -0.11 0.23 0.00 0.00 176.35 176.47 2k5t n LEU 49 N 6.07 0.36 -3.65 1.79 7.94 0.16 -4.87 117.00 124.80 2k5t n LEU 49 Ca 0.14 -0.25 -0.15 0.00 -1.11 0.00 0.00 56.01 54.64 2k5t n LEU 49 Cb 0.44 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.31 2k5t n LEU 49 CO 0.59 0.09 0.22 0.00 -1.11 0.00 0.00 177.39 177.18 2k5t s ALA 50 N -2.80 -1.25 -0.05 1.96 0.00 -0.86 0.16 121.76 118.92 2k5t s ALA 50 Ca -0.00 0.79 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 2k5t s ALA 50 Cb 0.11 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2k5t s ALA 50 CO 0.66 -0.31 -0.02 0.00 0.00 0.00 0.00 175.76 176.08 2k5t s ALA 51 N -1.28 0.65 -0.01 0.00 0.00 0.61 -0.37 121.76 121.35 2k5t s ALA 51 Ca -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2k5t s ALA 51 Cb -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2k5t s ALA 51 CO 0.07 -0.21 -0.06 0.54 0.00 0.00 0.00 175.76 176.10 2k5t s VAL 52 N 1.38 0.47 -0.08 0.00 0.11 -0.46 -1.13 120.40 120.69 2k5t s VAL 52 Ca -0.04 -0.23 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 2k5t s VAL 52 Cb -0.13 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 2k5t s VAL 52 CO -0.02 0.15 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.55 2k5t s ARG 53 N 0.04 2.84 -0.13 1.54 0.52 0.19 -0.05 118.95 123.90 2k5t s ARG 53 Ca -0.00 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 2k5t s ARG 53 Cb -0.04 -2.31 0.01 0.00 0.52 0.00 0.00 34.95 33.12 2k5t s ARG 53 CO -0.00 0.32 -0.21 0.54 0.02 0.00 0.00 175.30 175.97 2k5t s VAL 54 N 0.01 1.98 -0.79 3.52 0.11 -0.05 -1.87 120.40 123.31 2k5t s VAL 54 Ca -0.07 -0.94 -0.20 0.00 -2.93 0.00 0.00 61.98 57.84 2k5t s VAL 54 Cb -0.15 -1.74 0.11 0.00 -1.53 0.00 0.00 36.38 33.07 2k5t s VAL 54 CO 0.05 0.54 0.98 -0.89 -3.33 0.00 0.00 175.10 172.45 2k5t s THR 55 N 0.74 4.69 -0.96 5.04 2.01 0.20 -0.92 115.64 126.43 2k5t s THR 55 Ca -0.10 -1.19 -0.24 0.00 0.31 0.00 0.00 61.69 60.48 2k5t s THR 55 Cb -0.16 -4.68 0.05 0.00 0.01 0.00 0.00 72.50 67.71 2k5t s THR 55 CO 0.00 -1.40 1.41 -0.76 -0.69 0.00 0.00 174.62 173.19 2k5t s LEU 56 N 2.92 3.44 -1.05 4.42 1.43 0.42 -2.13 118.68 128.12 2k5t s LEU 56 Ca 0.25 -1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 51.97 2k5t s LEU 56 Cb -0.12 -2.57 0.19 0.00 0.03 0.00 0.00 46.19 43.72 2k5t s LEU 56 CO -0.01 -1.58 1.18 -0.44 0.23 0.00 0.00 176.35 175.73 2k5t s SER 57 N 4.70 6.95 0.67 2.29 0.01 0.33 -4.15 113.70 124.51 2k5t s SER 57 Ca 0.43 -2.81 0.00 0.00 1.31 0.00 0.00 55.95 54.89 2k5t s SER 57 Cb -0.02 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2k5t s SER 57 CO -0.05 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.50 2k5t n GLY 58 N 4.19 1.20 0.45 3.44 0.00 -1.26 -1.03 105.19 112.17 2k5t n GLY 58 Ca 0.27 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.60 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 0.70 -3.52 2.61 -2.24 -1.26 -4.94 114.28 105.63 2k5t n THR 59 Ca 0.00 -0.85 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 2k5t n THR 59 Cb 0.00 0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.91 3.10 -0.76 -0.78 2.02 -0.20 -4.12 118.70 117.05 2k5t s GLU 60 Ca 0.15 -0.92 -0.17 0.00 0.02 0.00 0.00 54.97 54.05 2k5t s GLU 60 Cb 0.09 -3.86 0.15 0.00 0.10 0.00 0.00 34.13 30.60 2k5t s GLU 60 CO 0.12 -0.64 0.84 0.20 0.02 0.00 0.00 175.26 175.80 2k5t s GLY 61 N 1.66 2.10 -0.25 -1.39 0.00 0.53 -0.51 107.32 109.47 2k5t s GLY 61 Ca 0.05 -2.73 -0.10 0.00 0.00 0.00 0.00 44.72 41.94 2k5t s GLY 61 CO 0.09 1.60 0.15 0.00 0.00 0.00 0.00 173.10 174.94 2k5t s ALA 62 N 1.88 3.52 -0.28 3.20 0.00 -0.91 -0.22 121.76 128.95 2k5t s ALA 62 Ca 0.19 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 2k5t s ALA 62 Cb -0.14 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 2k5t s ALA 62 CO -0.03 -0.30 0.48 -0.51 0.00 0.00 0.00 175.76 175.40 2k5t s LEU 63 N 1.27 4.11 -0.01 0.00 1.02 0.12 0.62 118.68 125.82 2k5t s LEU 63 Ca 0.07 0.34 0.20 0.00 0.02 0.00 0.00 54.13 54.76 2k5t s LEU 63 Cb -0.14 -2.59 -0.25 0.00 0.02 0.00 0.00 46.19 43.23 2k5t s LEU 63 CO 0.06 -0.31 0.74 -0.90 0.02 0.00 0.00 176.35 175.96 2k5t n ASP 64 N 5.54 0.76 -3.68 2.29 5.75 -0.78 -1.93 116.55 124.50 2k5t n ASP 64 Ca -0.05 -0.70 -0.10 0.00 -0.01 0.00 0.00 54.79 53.92 2k5t n ASP 64 Cb 0.50 1.26 -0.09 0.00 -1.03 0.00 0.00 41.12 41.76 2k5t n ASP 64 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2k5t s SER 65 N -3.30 -0.66 -0.18 -1.12 0.01 -1.22 -4.71 113.70 102.52 2k5t s SER 65 Ca 0.03 1.15 -0.05 0.00 1.31 0.00 0.00 55.95 58.40 2k5t s SER 65 Cb 0.15 1.07 0.09 0.00 0.21 0.00 0.00 66.02 67.54 2k5t s SER 65 CO 0.83 -0.21 0.31 -0.22 0.41 0.00 0.00 173.24 174.36 2k5t s LEU 66 N 1.09 -0.40 -0.02 2.44 2.96 -1.26 -0.63 118.68 122.86 2k5t s LEU 66 Ca -0.06 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 2k5t s LEU 66 Cb -0.06 0.85 0.02 0.00 0.50 0.00 0.00 46.19 47.50 2k5t s LEU 66 CO -0.10 -0.27 0.01 -0.13 -1.32 0.00 0.00 176.35 174.53 2k5t s ARG 67 N 2.46 0.15 0.11 1.98 0.52 -0.28 -5.03 118.95 118.87 2k5t s ARG 67 Ca 0.04 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.36 2k5t s ARG 67 Cb -0.13 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.98 2k5t s ARG 67 CO -0.12 -0.10 0.14 0.08 0.02 0.00 0.00 175.30 175.33 2k5t s VAL 68 N 0.75 4.77 0.62 3.52 1.01 -1.26 -0.28 120.40 129.54 2k5t s VAL 68 Ca -0.07 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 2k5t s VAL 68 Cb -0.10 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2k5t s VAL 68 CO -0.02 0.04 1.09 -0.60 0.00 0.00 0.00 175.10 175.60 2k5t s ARG 69 N -2.72 3.07 0.28 2.72 3.52 0.12 -4.92 118.95 121.03 2k5t s ARG 69 Ca 0.31 1.31 -0.03 0.00 -0.13 0.00 0.00 55.73 57.19 2k5t s ARG 69 Cb -0.12 -1.99 0.59 0.00 -1.56 0.00 0.00 34.95 31.87 2k5t s ARG 69 CO 0.24 -1.02 1.60 1.49 -0.81 0.00 0.00 175.30 176.80 2k5t h GLU 70 N 0.27 0.06 -0.99 5.12 4.57 -1.99 -1.74 114.58 119.87 2k5t h GLU 70 Ca -0.47 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 2k5t h GLU 70 Cb 1.23 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2k5t h GLU 70 CO 0.56 0.04 0.02 1.33 -1.18 0.00 0.00 179.01 179.78 2k5t n VAL 71 N -5.43 0.73 -1.79 0.32 0.24 -1.26 -3.65 118.33 107.49 2k5t n VAL 71 Ca 0.18 -0.09 0.06 0.00 -2.04 0.00 0.00 64.34 62.45 2k5t n VAL 71 Cb 0.61 -0.78 0.16 0.00 -1.47 0.00 0.00 33.84 32.36 2k5t n VAL 71 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2k5t n THR 72 N 0.26 1.66 -1.95 3.34 -1.04 -0.65 -4.98 114.28 110.92 2k5t n THR 72 Ca 0.02 -2.66 -0.42 0.00 -2.04 0.00 0.00 64.05 58.95 2k5t n THR 72 Cb 0.46 0.05 -0.03 0.00 -1.82 0.00 0.00 70.33 68.99 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 -2.44 3.24 -1.42 -2.82 0.52 -1.24 -2.85 118.95 111.93 2k5t s ARG 73 Ca 0.36 1.44 -0.09 0.00 -0.52 0.00 0.00 55.73 56.92 2k5t s ARG 73 Cb 0.37 -4.24 0.04 0.00 0.52 0.00 0.00 34.95 31.64 2k5t s ARG 73 CO -0.09 -1.97 1.02 0.54 0.02 0.00 0.00 175.30 174.82 2k5t n ARG 74 N 8.52 -6.39 -0.53 3.54 1.74 -1.26 -4.88 116.66 117.41 2k5t n ARG 74 Ca 0.24 0.70 0.08 0.00 -0.77 0.00 0.00 57.85 58.10 2k5t n ARG 74 Cb 0.47 -5.62 0.29 0.00 -1.02 0.00 0.00 32.46 26.58 2k5t n ARG 74 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2k5t n ARG 75 N -4.70 3.34 0.00 5.56 0.63 -1.13 -4.96 116.66 115.40 2k5t n ARG 75 Ca -0.04 -2.87 0.00 0.00 -0.92 0.00 0.00 57.85 54.01 2k5t n ARG 75 Cb 0.57 -1.91 0.00 0.00 0.45 0.00 0.00 32.46 31.57 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 -0.19 1.08 0.28 5.14 0.00 -1.26 -4.76 105.19 105.47 2k5t n GLY 76 Ca 0.22 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.29 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 0.37 -0.86 1.61 2.07 -1.93 -0.51 116.25 117.00 2k5t h VAL 77 Ca 0.00 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.54 2k5t h VAL 77 Cb 0.00 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 29.91 2k5t h VAL 77 CO 0.00 0.03 0.53 1.23 0.02 0.00 0.00 177.57 179.38 2k5t h GLY 78 N 0.15 1.31 1.26 2.17 0.00 -1.87 0.18 103.07 106.27 2k5t h GLY 78 Ca 0.44 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 2k5t h GLY 78 CO -0.63 0.24 -0.36 -1.61 0.00 0.00 0.00 176.54 174.17 2k5t h GLN 79 N 0.95 0.82 -0.39 4.80 4.15 -1.52 -2.76 115.11 121.16 2k5t h GLN 79 Ca 0.39 -0.41 -0.13 0.00 0.77 0.00 0.00 58.65 59.26 2k5t h GLN 79 Cb 0.22 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2k5t h GLN 79 CO -0.19 1.05 -0.28 -0.92 -1.93 0.00 0.00 178.83 176.55 2k5t h TYR 80 N 0.68 0.97 0.15 3.99 3.20 -0.75 -2.31 116.97 122.91 2k5t h TYR 80 Ca 0.06 -0.25 0.02 0.00 3.14 0.00 0.00 58.73 61.70 2k5t h TYR 80 Cb 0.92 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.93 2k5t h TYR 80 CO 0.05 1.02 -0.38 1.25 -1.64 0.00 0.00 178.16 178.46 2k5t h LEU 81 N 0.71 -1.10 -0.43 2.82 5.85 -0.49 0.37 115.31 123.05 2k5t h LEU 81 Ca 0.08 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2k5t h LEU 81 Cb 0.83 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2k5t h LEU 81 CO 0.07 -0.47 0.28 -0.07 -0.34 0.00 0.00 178.44 177.91 2k5t h LEU 82 N -0.63 0.50 -0.69 2.25 -0.00 -1.48 -2.65 115.31 112.60 2k5t h LEU 82 Ca 0.02 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 2k5t h LEU 82 Cb 0.65 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 2k5t h LEU 82 CO -0.20 0.37 -0.23 -0.08 -0.00 0.00 0.00 178.44 178.29 2k5t h GLU 83 N 0.58 0.77 -0.35 1.13 4.81 -1.17 -2.27 114.58 118.08 2k5t h GLU 83 Ca 0.16 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2k5t h GLU 83 Cb -0.06 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2k5t h GLU 83 CO -0.03 0.93 0.19 1.49 -0.73 0.00 0.00 179.01 180.85 2k5t h GLU 84 N 0.67 0.38 -0.28 1.92 4.57 -0.03 0.37 114.58 122.18 2k5t h GLU 84 Ca 0.09 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2k5t h GLU 84 Cb 0.74 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2k5t h GLU 84 CO 0.06 0.25 0.09 0.28 -1.18 0.00 0.00 179.01 178.51 2k5t h VAL 85 N 0.39 1.19 0.00 0.32 2.07 -1.33 -0.26 116.25 118.63 2k5t h VAL 85 Ca 0.14 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 2k5t h VAL 85 Cb 0.03 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2k5t h VAL 85 CO -0.08 0.20 -0.41 -0.07 0.02 0.00 0.00 177.57 177.23 2k5t h LEU 86 N 0.29 0.00 -0.44 2.57 4.07 -1.15 -0.47 115.31 120.19 2k5t h LEU 86 Ca 0.09 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.88 2k5t h LEU 86 Cb 0.23 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2k5t h LEU 86 CO -0.00 0.41 -0.78 -0.09 -1.08 0.00 0.00 178.44 176.90 2k5t h ARG 87 N 0.00 0.05 0.00 1.13 2.43 -0.00 -3.06 114.38 114.93 2k5t h ARG 87 Ca -0.00 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 58.91 2k5t h ARG 87 Cb 0.77 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2k5t h ARG 87 CO 0.05 0.80 -0.89 -0.97 -1.51 0.00 0.00 179.97 177.46 2k5t h ASN 88 N 0.03 0.33 -2.41 -3.80 -1.24 -0.46 -3.35 115.58 104.69 2k5t h ASN 88 Ca -0.02 -0.27 -0.65 0.00 0.71 0.00 0.00 56.30 56.08 2k5t h ASN 88 Cb 1.37 -0.10 -0.39 0.00 0.73 0.00 0.00 38.32 39.93 2k5t h ASN 88 CO 0.11 1.07 -0.30 0.59 -1.29 0.00 0.00 177.43 177.60 2k5t n ASN 89 N -3.69 4.28 -0.01 1.15 3.02 -0.24 -4.87 115.26 114.92 2k5t n ASN 89 Ca -0.04 -3.42 0.15 0.00 -0.03 0.00 0.00 54.58 51.23 2k5t n ASN 89 Cb 0.81 -0.80 0.72 0.00 -0.61 0.00 0.00 39.78 39.89 2k5t n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2k5t n PRO 90 N 1.03 0.34 0.12 3.52 -0.04 -1.16 -3.08 135.00 135.73 2k5t n PRO 90 Ca 0.29 -0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 2k5t n PRO 90 Cb 0.39 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.79 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 1.34 -1.55 3.57 0.55 0.00 -1.26 -4.65 105.19 103.19 2k5t n GLY 91 Ca 0.13 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.20 4.72 -0.18 1.61 1.01 -1.18 -4.90 120.40 118.29 2k5t s VAL 92 Ca 0.08 0.76 0.20 0.00 0.00 0.00 0.00 61.98 63.02 2k5t s VAL 92 Cb 0.11 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2k5t s VAL 92 CO 0.52 -0.50 0.97 0.77 0.00 0.00 0.00 175.10 176.86 2k5t h SER 93 N 8.60 0.00 -3.38 3.32 4.64 -1.78 -3.44 113.55 121.51 2k5t h SER 93 Ca -0.25 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.35 2k5t h SER 93 Cb 1.09 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.88 2k5t h SER 93 CO 0.92 0.29 -0.41 0.00 -0.87 0.00 0.00 176.83 176.77 2k5t s TRP 95 N 1.22 3.02 -0.14 0.00 0.52 -0.67 -0.34 118.94 122.55 2k5t s TRP 95 Ca 0.07 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 55.75 2k5t s TRP 95 Cb -0.25 -2.04 -0.01 0.00 -1.15 0.00 0.00 33.47 30.02 2k5t s TRP 95 CO -0.02 -0.19 -0.15 -0.46 0.02 0.00 0.00 176.95 176.15 2k5t s TRP 96 N 0.81 2.78 -0.23 -1.98 -0.11 0.69 -1.00 118.94 119.90 2k5t s TRP 96 Ca -0.00 -0.86 -0.06 0.00 1.22 0.00 0.00 56.10 56.40 2k5t s TRP 96 Cb -0.14 -1.86 -0.02 0.00 -1.50 0.00 0.00 33.47 29.95 2k5t s TRP 96 CO 0.02 -0.35 0.03 -1.64 -4.62 0.00 0.00 176.95 170.39 2k5t s MET 97 N 0.57 3.58 0.01 5.86 -1.94 0.14 0.15 119.30 127.67 2k5t s MET 97 Ca -0.09 -0.52 0.08 0.00 -1.71 0.00 0.00 55.69 53.45 2k5t s MET 97 Cb -0.16 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.45 2k5t s MET 97 CO 0.03 -0.16 -0.24 0.00 -0.01 0.00 0.00 175.02 174.65 2k5t s ALA 98 N 1.48 2.32 -0.03 3.03 0.00 -0.81 -1.71 121.76 126.04 2k5t s ALA 98 Ca 0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 2k5t s ALA 98 Cb -0.15 -0.59 -0.26 0.00 0.00 0.00 0.00 23.12 22.12 2k5t s ALA 98 CO 0.01 0.54 0.72 0.38 0.00 0.00 0.00 175.76 177.42 2k5t h ASP 99 N 5.02 0.32 -1.53 0.00 2.03 -1.85 -3.42 116.42 116.98 2k5t h ASP 99 Ca -0.46 -0.53 -0.42 0.00 -0.73 0.00 0.00 57.03 54.90 2k5t h ASP 99 Cb 1.14 -0.10 -0.12 0.00 -0.83 0.00 0.00 39.33 39.41 2k5t h ASP 99 CO 0.46 1.45 -0.42 0.00 -1.03 0.00 0.00 179.24 179.70 2k5t n ALA 100 N -2.71 -0.40 0.00 4.15 0.00 -1.26 -3.61 120.51 116.68 2k5t n ALA 100 Ca -0.20 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2k5t n ALA 100 Cb 1.04 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.62 0.93 3.61 0.00 0.00 -1.26 -5.13 105.19 102.73 2k5t n GLY 101 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.46 5.00 0.00 1.61 1.01 -1.24 -4.98 120.40 120.35 2k5t s VAL 102 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2k5t s VAL 102 Cb 0.00 -3.31 -0.28 0.00 0.00 0.00 0.00 36.38 32.79 2k5t s VAL 102 CO 0.00 0.38 0.86 -0.08 0.00 0.00 0.00 175.10 176.26 2k5t h GLU 103 N 7.39 0.25 -3.61 2.72 4.81 -2.00 -3.38 114.58 120.76 2k5t h GLU 103 Ca -0.38 -0.43 -0.72 0.00 -0.13 0.00 0.00 59.36 57.70 2k5t h GLU 103 Cb 1.17 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.65 2k5t h GLU 103 CO 0.66 1.12 2.92 -3.47 -0.73 0.00 0.00 179.01 179.50 2k5t n ASP 104 N -3.46 5.28 0.20 1.04 -0.08 -1.26 -4.56 116.55 113.72 2k5t n ASP 104 Ca -0.16 -2.89 0.14 0.00 -1.51 0.00 0.00 54.79 50.37 2k5t n ASP 104 Cb 1.04 -1.57 0.52 0.00 2.34 0.00 0.00 41.12 43.45 2k5t n ASP 104 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2k5t h ARG 105 N 5.67 0.00 0.64 -0.67 3.08 -1.99 -2.82 114.38 118.29 2k5t h ARG 105 Ca 0.58 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.60 2k5t h ARG 105 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.61 2k5t h ARG 105 CO 1.78 0.00 -0.31 0.78 -1.07 0.00 0.00 179.97 181.15 2k5t h GLY 106 N 2.65 -0.89 0.97 0.04 0.00 -1.97 0.46 103.07 104.33 2k5t h GLY 106 Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 2k5t h GLY 106 CO 0.00 -0.33 0.14 -2.08 0.00 0.00 0.00 176.54 174.28 2k5t h VAL 107 N -1.06 1.23 -0.03 4.60 2.07 -1.95 -2.07 116.25 119.03 2k5t h VAL 107 Ca -0.09 -0.78 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 2k5t h VAL 107 Cb 0.70 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2k5t h VAL 107 CO 0.14 0.28 -0.55 0.24 0.02 0.00 0.00 177.57 177.70 2k5t h MET 108 N 0.65 0.09 -0.27 1.57 2.07 -1.55 -0.08 114.93 117.41 2k5t h MET 108 Ca 0.15 -0.06 -0.09 0.00 -2.07 0.00 0.00 59.70 57.64 2k5t h MET 108 Cb 0.28 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.01 2k5t h MET 108 CO -0.00 0.62 -0.18 1.15 1.07 0.00 0.00 176.91 179.57 2k5t h THR 109 N 0.07 1.30 -0.82 2.22 2.02 -0.79 -0.32 112.91 116.59 2k5t h THR 109 Ca -0.00 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 2k5t h THR 109 Cb 1.00 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.93 2k5t h THR 109 CO 0.08 0.41 0.48 0.00 0.37 0.00 0.00 175.52 176.85 2k5t h ALA 110 N 0.72 1.29 0.14 6.16 0.00 -1.12 0.35 119.26 126.80 2k5t h ALA 110 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k5t h ALA 110 Cb 0.71 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k5t h ALA 110 CO 0.05 0.60 -0.07 0.35 0.00 0.00 0.00 179.25 180.18 2k5t h PHE 111 N 1.14 -0.18 0.00 0.00 3.57 -0.85 -2.10 116.94 118.52 2k5t h PHE 111 Ca 0.29 -0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.58 2k5t h PHE 111 Cb -0.01 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2k5t h PHE 111 CO 0.01 -0.05 -0.91 0.52 -2.23 0.00 0.00 178.31 175.64 2k5t h MET 112 N -0.26 0.32 0.00 1.11 2.86 -0.70 -1.56 114.93 116.69 2k5t h MET 112 Ca -0.02 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.24 2k5t h MET 112 Cb 0.21 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2k5t h MET 112 CO 0.03 1.04 -0.18 0.37 1.06 0.00 0.00 176.91 179.23 2k5t h GLN 113 N 0.18 0.00 0.00 1.72 4.15 -0.35 0.26 115.11 121.07 2k5t h GLN 113 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2k5t h GLN 113 Cb 1.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.23 2k5t h GLN 113 CO 0.15 0.18 -0.87 0.00 -1.93 0.00 0.00 178.83 176.36 2k5t h ALA 114 N 1.82 0.55 0.00 3.38 0.00 -1.29 -3.37 119.26 120.35 2k5t h ALA 114 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k5t h ALA 114 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k5t h ALA 114 CO 0.02 0.00 -0.03 1.25 0.00 0.00 0.00 179.25 180.50 2k5t h LEU 115 N 0.00 0.00 0.00 0.00 6.46 -0.72 -3.49 115.31 117.56 2k5t h LEU 115 Ca 0.00 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 2k5t h LEU 115 Cb 0.96 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 2k5t h LEU 115 CO 0.00 0.75 0.00 0.61 -0.62 0.00 0.00 178.44 179.18 2k5t n GLY 116 N 1.69 0.00 3.31 3.75 0.00 0.67 -5.09 105.19 109.52 2k5t n GLY 116 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.17 -0.19 1.61 0.08 0.18 -4.85 117.98 116.98 2k5t s PHE 117 Ca 0.00 -0.40 -0.28 0.00 0.12 0.00 0.00 56.93 56.36 2k5t s PHE 117 Cb 0.00 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 2k5t s PHE 117 CO 0.00 0.07 0.98 0.99 -0.10 0.00 0.00 175.22 177.16 2k5t s THR 118 N -0.73 4.75 -0.17 0.64 2.01 0.13 -4.24 115.64 118.03 2k5t s THR 118 Ca 0.10 1.93 -0.13 0.00 0.31 0.00 0.00 61.69 63.91 2k5t s THR 118 Cb -0.10 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 2k5t s THR 118 CO 0.01 -0.10 0.24 0.42 -0.69 0.00 0.00 174.62 174.50 2k5t s THR 119 N 2.75 5.34 0.39 -0.82 -4.23 -1.26 -1.09 115.64 116.72 2k5t s THR 119 Ca 0.43 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 61.41 2k5t s THR 119 Cb -0.16 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 2k5t s THR 119 CO 0.10 0.41 0.11 -1.10 -0.54 0.00 0.00 174.62 173.60 2k5t s GLN 120 N 0.38 1.87 -1.06 3.99 -0.21 -0.70 -5.02 119.66 118.91 2k5t s GLN 120 Ca 0.14 -2.12 -0.21 0.00 0.02 0.00 0.00 55.36 53.19 2k5t s GLN 120 Cb -0.12 -0.69 0.07 0.00 1.00 0.00 0.00 33.01 33.27 2k5t s GLN 120 CO 0.02 -0.41 1.45 -1.14 -2.12 0.00 0.00 175.29 173.10 2k5t s GLN 121 N -3.77 3.68 0.00 2.91 0.74 -1.26 -3.90 119.66 118.07 2k5t s GLN 121 Ca 0.26 -1.41 0.00 0.00 0.05 0.00 0.00 55.36 54.26 2k5t s GLN 121 Cb 0.04 -5.32 0.00 0.00 1.10 0.00 0.00 33.01 28.83 2k5t s GLN 121 CO 0.14 -2.14 0.00 0.41 -0.55 0.00 0.00 175.29 173.15 2k5t n GLY 122 N 6.34 3.65 3.40 2.59 0.00 -1.26 -5.08 105.19 114.82 2k5t n GLY 122 Ca 0.35 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 2k5t n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5t s GLY 123 N 0.00 2.48 -0.00 -0.02 0.00 -1.25 -4.75 107.32 103.78 2k5t s GLY 123 Ca 0.00 -1.64 0.05 0.00 0.00 0.00 0.00 44.72 43.13 2k5t s GLY 123 CO 0.00 -1.64 -0.17 -0.98 0.00 0.00 0.00 173.10 170.31 2k5t s TRP 124 N -3.34 1.49 0.09 1.90 0.51 -0.69 -1.71 118.94 117.19 2k5t s TRP 124 Ca 0.32 -0.29 0.06 0.00 -2.12 0.00 0.00 56.10 54.07 2k5t s TRP 124 Cb 0.02 -0.94 -0.03 0.00 -0.81 0.00 0.00 33.47 31.71 2k5t s TRP 124 CO 0.21 -0.01 -0.16 -1.21 -0.51 0.00 0.00 176.95 175.28 2k5t s GLU 125 N -0.53 0.93 -0.06 4.98 2.02 -0.25 0.24 118.70 126.02 2k5t s GLU 125 Ca 0.06 -1.06 -0.01 0.00 0.02 0.00 0.00 54.97 53.98 2k5t s GLU 125 Cb -0.07 -0.98 0.03 0.00 0.10 0.00 0.00 34.13 33.21 2k5t s GLU 125 CO -0.00 0.22 0.00 0.21 0.02 0.00 0.00 175.26 175.71 2k5t s LYS 126 N -1.94 0.52 -0.23 1.61 2.20 -0.17 0.23 119.74 121.96 2k5t s LYS 126 Ca 0.02 0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 2k5t s LYS 126 Cb -0.09 -0.86 0.06 0.00 -1.51 0.00 0.00 37.83 35.43 2k5t s LYS 126 CO 0.03 -0.27 -0.00 0.00 -0.36 0.00 0.00 175.35 174.75