#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 4.61 -0.21 0.03 2.20 -1.26 -4.98 119.74 120.12 2k5t s LYS 2 Ca 0.00 1.77 -0.29 0.00 -0.36 0.00 0.00 55.97 57.09 2k5t s LYS 2 Cb 0.00 -3.23 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 2k5t s LYS 2 CO 0.00 0.12 1.25 -1.17 -0.36 0.00 0.00 175.35 175.19 2k5t s LEU 3 N -0.84 4.08 -0.86 5.43 2.96 -1.26 -4.88 118.68 123.31 2k5t s LEU 3 Ca 0.47 1.50 -0.19 0.00 -0.22 0.00 0.00 54.13 55.70 2k5t s LEU 3 Cb -0.31 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 42.97 2k5t s LEU 3 CO 0.38 -0.85 1.05 -0.89 -1.32 0.00 0.00 176.35 174.72 2k5t s THR 4 N 3.73 4.72 0.10 3.68 2.01 -0.78 -4.92 115.64 124.18 2k5t s THR 4 Ca 0.54 -1.40 0.04 0.00 0.31 0.00 0.00 61.69 61.18 2k5t s THR 4 Cb -0.19 -4.73 -0.04 0.00 0.01 0.00 0.00 72.50 67.55 2k5t s THR 4 CO 0.16 -1.45 0.06 0.27 -0.69 0.00 0.00 174.62 172.97 2k5t s ILE 5 N 2.75 4.33 0.09 1.82 -4.36 -1.26 -1.78 121.20 122.80 2k5t s ILE 5 Ca 0.29 -0.92 0.05 0.00 -0.26 0.00 0.00 60.65 59.81 2k5t s ILE 5 Cb -0.08 -3.10 -0.03 0.00 1.25 0.00 0.00 42.46 40.49 2k5t s ILE 5 CO -0.05 0.08 -0.13 -0.63 0.24 0.00 0.00 174.94 174.45 2k5t s ILE 6 N -1.44 1.11 0.19 8.37 1.09 -0.19 -4.92 121.20 125.41 2k5t s ILE 6 Ca 0.28 -1.53 -0.27 0.00 -1.10 0.00 0.00 60.65 58.04 2k5t s ILE 6 Cb -0.12 -1.29 -0.08 0.00 -1.06 0.00 0.00 42.46 39.91 2k5t s ILE 6 CO 0.21 -0.39 0.82 0.00 -0.10 0.00 0.00 174.94 175.48 2k5t s ARG 7 N -2.35 4.64 -1.18 2.79 1.70 -1.26 -0.43 118.95 122.87 2k5t s ARG 7 Ca 0.03 1.25 -0.17 0.00 -0.47 0.00 0.00 55.73 56.37 2k5t s ARG 7 Cb -0.06 -3.26 0.11 0.00 -0.57 0.00 0.00 34.95 31.17 2k5t s ARG 7 CO 0.02 0.56 1.50 -1.17 -1.08 0.00 0.00 175.30 175.13 2k5t s LEU 8 N -1.17 4.39 -0.07 -1.89 2.96 0.04 -4.76 118.68 118.17 2k5t s LEU 8 Ca 0.37 -2.44 -0.26 0.00 -0.22 0.00 0.00 54.13 51.58 2k5t s LEU 8 Cb -0.24 -2.49 -0.24 0.00 0.50 0.00 0.00 46.19 43.73 2k5t s LEU 8 CO 0.28 -1.05 1.00 -0.33 -1.32 0.00 0.00 176.35 174.93 2k5t h GLU 9 N 7.92 0.09 -6.38 1.98 4.39 -1.94 -3.44 114.58 117.21 2k5t h GLU 9 Ca 0.33 -0.09 -0.63 0.00 0.34 0.00 0.00 59.36 59.31 2k5t h GLU 9 Cb 0.91 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.43 2k5t h GLU 9 CO 1.33 0.85 -0.79 0.15 -1.16 0.00 0.00 179.01 179.39 2k5t s LYS 10 N -3.10 1.59 -0.33 2.33 1.02 -1.26 -4.88 119.74 115.11 2k5t s LYS 10 Ca -0.17 -1.65 0.02 0.00 0.02 0.00 0.00 55.97 54.19 2k5t s LYS 10 Cb -0.00 -1.79 0.09 0.00 -0.52 0.00 0.00 37.83 35.61 2k5t s LYS 10 CO 0.71 0.36 0.03 -0.06 -0.92 0.00 0.00 175.35 175.48 2k5t s PHE 11 N -2.12 3.55 0.39 3.18 0.40 -1.26 -5.08 117.98 117.04 2k5t s PHE 11 Ca 0.25 -2.58 -0.06 0.00 -0.60 0.00 0.00 56.93 53.94 2k5t s PHE 11 Cb -0.06 -2.64 -0.05 0.00 0.51 0.00 0.00 43.02 40.78 2k5t s PHE 11 CO 0.12 -0.92 0.70 -1.12 0.70 0.00 0.00 175.22 174.70 2k5t s SER 12 N 1.17 6.40 0.11 1.36 0.01 -1.26 -4.96 113.70 116.53 2k5t s SER 12 Ca 0.04 0.90 -0.25 0.00 1.31 0.00 0.00 55.95 57.94 2k5t s SER 12 Cb -0.20 -2.23 -0.09 0.00 0.21 0.00 0.00 66.02 63.71 2k5t s SER 12 CO -0.06 -0.39 1.67 -0.78 0.41 0.00 0.00 173.24 174.10 2k5t h ASP 13 N 1.02 -0.49 -0.48 2.44 3.58 -1.99 -0.34 116.42 120.16 2k5t h ASP 13 Ca -0.47 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.01 2k5t h ASP 13 Cb 1.20 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.41 2k5t h ASP 13 CO 0.64 -0.25 0.22 -0.61 -2.88 0.00 0.00 179.24 176.35 2k5t h GLN 14 N -0.33 0.75 -0.47 0.28 4.15 -2.00 -1.84 115.11 115.65 2k5t h GLN 14 Ca 0.03 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 2k5t h GLN 14 Cb 0.36 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 2k5t h GLN 14 CO -0.11 0.61 0.18 -0.44 -1.93 0.00 0.00 178.83 177.14 2k5t h ASP 15 N 0.74 0.66 -0.35 -0.69 3.32 -1.85 -2.47 116.42 115.79 2k5t h ASP 15 Ca 0.18 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2k5t h ASP 15 Cb 0.13 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2k5t h ASP 15 CO -0.02 0.67 0.13 0.03 -1.72 0.00 0.00 179.24 178.33 2k5t h ARG 16 N 0.62 0.60 -0.28 3.56 3.08 -0.32 0.32 114.38 121.96 2k5t h ARG 16 Ca 0.16 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2k5t h ARG 16 Cb 0.22 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2k5t h ARG 16 CO -0.01 0.53 0.11 0.82 -1.07 0.00 0.00 179.97 180.35 2k5t h ILE 17 N 0.59 1.17 -0.03 2.04 2.04 -1.03 0.02 117.51 122.31 2k5t h ILE 17 Ca 0.14 -0.52 -0.13 0.00 1.00 0.00 0.00 64.86 65.34 2k5t h ILE 17 Cb 0.18 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2k5t h ILE 17 CO -0.01 0.18 -0.59 -0.78 0.00 0.00 0.00 178.15 176.96 2k5t h ASP 18 N 0.31 0.13 -0.25 1.72 3.58 -1.02 -1.89 116.42 118.99 2k5t h ASP 18 Ca 0.09 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 2k5t h ASP 18 Cb 0.17 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2k5t h ASP 18 CO -0.01 0.68 0.02 -0.07 -2.88 0.00 0.00 179.24 176.99 2k5t h LEU 19 N 0.08 0.50 -0.36 2.28 3.38 -0.67 -1.78 115.31 118.73 2k5t h LEU 19 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k5t h LEU 19 Cb 1.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2k5t h LEU 19 CO 0.08 0.55 0.00 -0.61 0.09 0.00 0.00 178.44 178.55 2k5t h GLN 20 N 0.51 0.00 -0.34 1.13 4.15 -0.34 0.41 115.11 120.64 2k5t h GLN 20 Ca 0.11 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.42 2k5t h GLN 20 Cb 0.30 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2k5t h GLN 20 CO 0.01 0.00 -0.27 0.87 -1.93 0.00 0.00 178.83 177.50 2k5t h LYS 21 N 0.00 0.69 0.17 1.69 1.57 -0.58 -2.87 116.57 117.25 2k5t h LYS 21 Ca 0.00 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 2k5t h LYS 21 Cb 0.81 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2k5t h LYS 21 CO 0.00 0.89 -0.08 0.82 -0.57 0.00 0.00 179.45 180.50 2k5t h ILE 22 N 0.59 0.70 -3.31 1.86 2.04 -0.89 -3.40 117.51 115.12 2k5t h ILE 22 Ca 0.08 -1.11 -0.76 0.00 1.00 0.00 0.00 64.86 64.07 2k5t h ILE 22 Cb 0.77 1.20 -0.25 0.00 -0.74 0.00 0.00 36.82 37.80 2k5t h ILE 22 CO 0.06 0.19 -0.17 0.26 0.00 0.00 0.00 178.15 178.49 2k5t s TRP 23 N -3.17 3.40 0.47 1.37 0.51 0.14 -4.93 118.94 116.72 2k5t s TRP 23 Ca -0.11 -1.57 0.15 0.00 -2.12 0.00 0.00 56.10 52.45 2k5t s TRP 23 Cb 0.00 -3.75 1.12 0.00 -0.81 0.00 0.00 33.47 30.03 2k5t s TRP 23 CO 0.41 -1.01 2.04 -1.35 -0.51 0.00 0.00 176.95 176.54 2k5t h PRO 24 N 8.52 0.26 -2.24 4.98 0.11 -1.72 -3.35 132.00 138.55 2k5t h PRO 24 Ca -0.18 -0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.46 2k5t h PRO 24 Cb 1.08 -0.06 -0.35 0.00 0.11 0.00 0.00 31.00 31.78 2k5t h PRO 24 CO 0.94 0.17 -0.75 -1.21 -0.21 0.00 0.00 178.00 176.94 2k5t s GLU 25 N -5.26 0.55 0.37 1.05 2.02 -1.26 -4.99 118.70 111.18 2k5t s GLU 25 Ca -0.07 -0.96 0.07 0.00 0.02 0.00 0.00 54.97 54.04 2k5t s GLU 25 Cb 0.19 -0.95 -0.01 0.00 0.10 0.00 0.00 34.13 33.45 2k5t s GLU 25 CO 0.72 -1.18 0.42 1.52 0.02 0.00 0.00 175.26 176.76 2k5t s TYR 26 N 1.41 2.89 -0.03 1.61 -0.85 -1.26 -5.09 117.35 116.04 2k5t s TYR 26 Ca 0.16 -0.34 -0.30 0.00 -0.52 0.00 0.00 57.07 56.07 2k5t s TYR 26 Cb -0.18 -2.06 -0.03 0.00 0.38 0.00 0.00 41.96 40.08 2k5t s TYR 26 CO -0.06 -0.06 0.97 0.45 -1.52 0.00 0.00 175.55 175.33 2k5t s SER 27 N -4.15 7.32 0.17 -0.18 0.15 -1.26 -4.98 113.70 110.77 2k5t s SER 27 Ca 0.47 1.60 -0.32 0.00 0.70 0.00 0.00 55.95 58.40 2k5t s SER 27 Cb -0.07 -2.56 -0.12 0.00 -1.71 0.00 0.00 66.02 61.56 2k5t s SER 27 CO 0.29 -0.30 1.74 -0.81 1.20 0.00 0.00 173.24 175.36 2k5t n PRO 28 N 4.16 2.67 -0.78 5.44 -0.04 -1.26 -2.09 135.00 143.09 2k5t n PRO 28 Ca 0.06 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 2k5t n PRO 28 Cb 0.50 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 2k5t n PRO 28 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k5t n SER 29 N 4.42 -0.69 0.00 3.54 7.64 -1.26 -4.79 113.62 122.48 2k5t n SER 29 Ca 0.17 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.18 2k5t n SER 29 Cb 0.34 -1.42 0.62 0.00 -1.01 0.00 0.00 64.21 62.74 2k5t n SER 29 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k5t n SER 30 N -0.08 0.00 0.26 6.43 7.64 -0.89 -2.66 113.62 124.31 2k5t n SER 30 Ca 0.00 0.33 0.14 0.00 1.01 0.00 0.00 58.87 60.35 2k5t n SER 30 Cb 0.04 -0.44 0.58 0.00 -1.01 0.00 0.00 64.21 63.38 2k5t n SER 30 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k5t h LEU 31 N 0.00 0.00 -9.50 -3.43 3.38 -1.87 -3.45 115.31 100.44 2k5t h LEU 31 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2k5t h LEU 31 Cb 0.41 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.22 2k5t h LEU 31 CO 0.00 0.08 0.87 0.00 0.09 0.00 0.00 178.44 179.48 2k5t n GLN 32 N -3.21 2.25 -3.47 1.13 6.02 -1.09 -4.89 117.38 114.12 2k5t n GLN 32 Ca 0.01 0.81 -0.20 0.00 -0.01 0.00 0.00 57.00 57.61 2k5t n GLN 32 Cb 0.36 -2.61 -0.02 0.00 1.02 0.00 0.00 30.24 29.00 2k5t n GLN 32 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2k5t s VAL 33 N 1.39 3.32 0.00 5.09 -7.23 -1.26 -4.95 120.40 116.75 2k5t s VAL 33 Ca 0.80 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 2k5t s VAL 33 Cb -0.65 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.14 2k5t s VAL 33 CO 0.39 -0.08 0.00 -0.90 -0.31 0.00 0.00 175.10 174.19 2k5t n ASP 34 N -1.60 0.00 0.14 4.85 5.75 0.91 -4.95 116.55 121.65 2k5t n ASP 34 Ca 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.80 2k5t n ASP 34 Cb 0.60 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.87 2k5t n ASP 34 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2k5t h ASP 35 N 0.00 0.00 0.00 -1.12 3.58 -2.00 -3.33 116.42 113.55 2k5t h ASP 35 Ca 0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 2k5t h ASP 35 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2k5t h ASP 35 CO 0.00 0.59 -0.58 0.78 -2.88 0.00 0.00 179.24 177.15 2k5t h ASN 36 N 0.00 0.00 -3.59 2.28 2.35 -1.96 -3.44 115.58 111.23 2k5t h ASN 36 Ca -0.01 -0.47 -0.65 0.00 -0.55 0.00 0.00 56.30 54.62 2k5t h ASN 36 Cb 1.09 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.30 2k5t h ASN 36 CO 0.08 1.07 0.03 -1.00 -1.65 0.00 0.00 177.43 175.96 2k5t s HIS 37 N -2.18 3.13 -0.13 1.19 3.76 -1.25 0.01 115.29 119.82 2k5t s HIS 37 Ca -0.19 0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2k5t s HIS 37 Cb 0.02 -3.12 0.02 0.00 1.11 0.00 0.00 32.58 30.61 2k5t s HIS 37 CO 0.46 -0.70 -0.11 1.03 -0.85 0.00 0.00 174.74 174.57 2k5t s ARG 38 N 2.58 1.95 -0.15 1.40 0.52 -0.17 -0.06 118.95 125.03 2k5t s ARG 38 Ca 0.20 -0.43 -0.10 0.00 -0.52 0.00 0.00 55.73 54.88 2k5t s ARG 38 Cb -0.15 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.39 2k5t s ARG 38 CO 0.16 -0.25 0.19 0.42 0.02 0.00 0.00 175.30 175.84 2k5t s ILE 39 N 1.58 5.39 -0.11 1.52 1.01 -1.26 -2.32 121.20 127.01 2k5t s ILE 39 Ca 0.05 0.33 -0.00 0.00 0.00 0.00 0.00 60.65 61.03 2k5t s ILE 39 Cb -0.13 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 2k5t s ILE 39 CO -0.10 0.49 -0.11 -0.31 0.00 0.00 0.00 174.94 174.92 2k5t s TYR 40 N -0.16 2.85 -0.21 3.97 2.02 -0.39 -0.78 117.35 124.65 2k5t s TYR 40 Ca 0.13 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.37 2k5t s TYR 40 Cb -0.12 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.60 2k5t s TYR 40 CO 0.02 -0.04 0.01 0.00 -1.57 0.00 0.00 175.55 173.97 2k5t s ALA 41 N 0.03 3.03 -0.35 3.71 0.00 0.43 -1.97 121.76 126.62 2k5t s ALA 41 Ca -0.03 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 2k5t s ALA 41 Cb -0.14 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2k5t s ALA 41 CO 0.04 -0.24 0.59 0.00 0.00 0.00 0.00 175.76 176.15 2k5t s ALA 42 N 1.16 3.46 -0.18 0.00 0.00 0.34 -1.03 121.76 125.52 2k5t s ALA 42 Ca 0.03 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2k5t s ALA 42 Cb -0.14 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2k5t s ALA 42 CO 0.01 -1.30 -0.00 0.50 0.00 0.00 0.00 175.76 174.97 2k5t s ARG 43 N 2.59 3.69 -1.05 0.00 3.52 -0.73 0.90 118.95 127.87 2k5t s ARG 43 Ca 0.22 -0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 55.22 2k5t s ARG 43 Cb -0.15 -3.04 0.26 0.00 -1.56 0.00 0.00 34.95 30.46 2k5t s ARG 43 CO 0.14 0.13 1.05 0.12 -0.81 0.00 0.00 175.30 175.94 2k5t s PHE 44 N 0.68 4.12 0.00 5.12 5.36 0.52 -1.87 117.98 131.91 2k5t s PHE 44 Ca -0.00 -2.50 0.00 0.00 -0.96 0.00 0.00 56.93 53.47 2k5t s PHE 44 Cb -0.14 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.68 2k5t s PHE 44 CO 0.02 -0.99 0.00 -1.71 -1.46 0.00 0.00 175.22 171.09 2k5t n ASN 45 N 3.15 0.00 -0.09 6.13 2.85 -1.26 -3.69 115.26 122.35 2k5t n ASN 45 Ca 0.22 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.57 2k5t n ASN 45 Cb 0.41 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.39 2k5t n ASN 45 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2k5t n GLU 46 N 0.00 0.50 -4.20 1.20 4.07 -1.26 -5.06 120.64 115.88 2k5t n GLU 46 Ca 0.00 0.20 -0.26 0.00 -0.06 0.00 0.00 57.16 57.05 2k5t n GLU 46 Cb 0.00 -1.37 -0.07 0.00 -0.06 0.00 0.00 31.44 29.94 2k5t n GLU 46 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 2k5t s ARG 47 N -2.75 2.20 0.13 5.31 1.70 -1.24 -5.07 118.95 119.22 2k5t s ARG 47 Ca -0.29 -1.93 -0.30 0.00 -0.47 0.00 0.00 55.73 52.74 2k5t s ARG 47 Cb 0.06 -1.93 -0.07 0.00 -0.57 0.00 0.00 34.95 32.45 2k5t s ARG 47 CO 0.41 -0.19 1.12 -0.51 -1.08 0.00 0.00 175.30 175.06 2k5t s LEU 48 N -3.93 4.44 -0.04 -1.89 1.43 -1.26 -0.35 118.68 117.07 2k5t s LEU 48 Ca 0.37 2.04 0.09 0.00 -1.03 0.00 0.00 54.13 55.60 2k5t s LEU 48 Cb 0.04 -3.59 -0.14 0.00 0.03 0.00 0.00 46.19 42.52 2k5t s LEU 48 CO 0.20 -0.31 0.14 -0.11 0.23 0.00 0.00 176.35 176.51 2k5t n LEU 49 N 2.97 0.00 -3.71 1.79 7.94 0.26 -4.84 117.00 121.41 2k5t n LEU 49 Ca 0.05 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.85 2k5t n LEU 49 Cb 0.47 0.09 -0.06 0.00 0.53 0.00 0.00 43.42 44.45 2k5t n LEU 49 CO 0.54 0.09 0.07 0.00 -1.11 0.00 0.00 177.39 176.98 2k5t s ALA 50 N -2.50 -0.71 -0.07 1.96 0.00 -0.99 -1.97 121.76 117.48 2k5t s ALA 50 Ca -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 2k5t s ALA 50 Cb 0.05 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2k5t s ALA 50 CO 0.39 -0.57 0.17 0.00 0.00 0.00 0.00 175.76 175.76 2k5t s ALA 51 N -3.59 -0.37 -0.01 0.00 0.00 -0.22 -0.51 121.76 117.06 2k5t s ALA 51 Ca 0.02 0.67 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 2k5t s ALA 51 Cb 0.02 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2k5t s ALA 51 CO -0.10 -0.14 0.01 0.54 0.00 0.00 0.00 175.76 176.07 2k5t s VAL 52 N 0.82 -0.01 -0.15 0.00 0.11 -0.83 -1.93 120.40 118.41 2k5t s VAL 52 Ca -0.06 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2k5t s VAL 52 Cb -0.08 -0.03 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 2k5t s VAL 52 CO -0.04 0.02 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.56 2k5t s ARG 53 N 0.24 3.61 -0.01 1.54 0.52 -1.06 -1.26 118.95 122.53 2k5t s ARG 53 Ca -0.02 -0.56 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 2k5t s ARG 53 Cb -0.03 -2.85 -0.00 0.00 0.52 0.00 0.00 34.95 32.59 2k5t s ARG 53 CO -0.01 0.24 -0.08 0.54 0.02 0.00 0.00 175.30 176.01 2k5t s VAL 54 N 0.35 0.64 -0.28 3.52 0.11 -0.98 -0.26 120.40 123.51 2k5t s VAL 54 Ca -0.06 -0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 58.61 2k5t s VAL 54 Cb -0.15 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2k5t s VAL 54 CO 0.04 0.18 0.03 -0.89 -3.33 0.00 0.00 175.10 171.13 2k5t s THR 55 N -0.14 3.54 -0.87 5.04 2.01 0.15 -0.99 115.64 124.38 2k5t s THR 55 Ca 0.02 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 60.97 2k5t s THR 55 Cb -0.04 -2.83 0.09 0.00 0.01 0.00 0.00 72.50 69.74 2k5t s THR 55 CO -0.00 0.11 1.16 -0.76 -0.69 0.00 0.00 174.62 174.43 2k5t s LEU 56 N 1.43 4.49 -0.55 4.42 1.43 0.10 -0.25 118.68 129.75 2k5t s LEU 56 Ca 0.01 -1.58 -0.04 0.00 -1.03 0.00 0.00 54.13 51.49 2k5t s LEU 56 Cb -0.17 -2.44 0.14 0.00 0.03 0.00 0.00 46.19 43.75 2k5t s LEU 56 CO -0.00 -1.29 0.37 -0.55 0.23 0.00 0.00 176.35 175.11 2k5t s SER 57 N 3.91 5.36 1.50 2.29 0.15 0.76 -4.67 113.70 123.00 2k5t s SER 57 Ca 0.33 -2.50 0.00 0.00 0.70 0.00 0.00 55.95 54.48 2k5t s SER 57 Cb -0.07 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2k5t s SER 57 CO -0.03 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2k5t n GLY 58 N 4.00 1.26 0.04 9.45 0.00 -1.26 -0.95 105.19 117.73 2k5t n GLY 58 Ca 0.03 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.44 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 0.21 -3.60 2.61 -2.24 -1.26 -4.89 114.28 105.10 2k5t n THR 59 Ca 0.00 -0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 61.13 2k5t n THR 59 Cb 0.00 0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.26 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 -3.21 4.01 -0.67 -0.78 2.02 -0.13 -2.11 118.70 117.82 2k5t s GLU 60 Ca 0.03 -0.27 -0.18 0.00 0.02 0.00 0.00 54.97 54.57 2k5t s GLU 60 Cb 0.14 -3.61 0.12 0.00 0.10 0.00 0.00 34.13 30.88 2k5t s GLU 60 CO 0.80 -0.08 0.79 0.20 0.02 0.00 0.00 175.26 176.98 2k5t s GLY 61 N 1.45 1.88 -0.48 -1.39 0.00 0.13 -0.17 107.32 108.73 2k5t s GLY 61 Ca 0.08 -2.42 -0.20 0.00 0.00 0.00 0.00 44.72 42.18 2k5t s GLY 61 CO 0.08 1.63 0.66 0.00 0.00 0.00 0.00 173.10 175.47 2k5t s ALA 62 N 2.47 3.34 -0.28 3.20 0.00 0.66 -0.39 121.76 130.76 2k5t s ALA 62 Ca 0.16 -1.46 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 2k5t s ALA 62 Cb -0.19 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2k5t s ALA 62 CO 0.02 -1.95 0.46 -1.17 0.00 0.00 0.00 175.76 173.13 2k5t s LEU 63 N 2.84 4.09 -0.10 0.00 0.20 0.14 0.34 118.68 126.19 2k5t s LEU 63 Ca 0.20 0.36 0.02 0.00 0.69 0.00 0.00 54.13 55.39 2k5t s LEU 63 Cb -0.16 -2.57 0.01 0.00 -0.43 0.00 0.00 46.19 43.04 2k5t s LEU 63 CO 0.16 -0.28 -0.14 -0.62 -0.29 0.00 0.00 176.35 175.18 2k5t s ASP 64 N 1.61 2.23 -0.00 3.68 2.15 0.65 -1.41 116.67 125.57 2k5t s ASP 64 Ca 0.19 -0.38 -0.01 0.00 0.43 0.00 0.00 52.55 52.78 2k5t s ASP 64 Cb -0.16 -0.99 0.00 0.00 -0.30 0.00 0.00 42.92 41.47 2k5t s ASP 64 CO 0.10 0.01 0.01 -0.24 -0.17 0.00 0.00 175.17 174.88 2k5t n SER 65 N 4.14 -4.86 -3.86 -0.34 2.88 -1.26 -3.27 113.62 107.05 2k5t n SER 65 Ca -0.19 0.79 -0.29 0.00 -1.33 0.00 0.00 58.87 57.85 2k5t n SER 65 Cb 0.51 -2.85 -0.16 0.00 -0.75 0.00 0.00 64.21 60.97 2k5t n SER 65 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2k5t s LEU 66 N -0.27 1.96 -0.09 2.46 2.96 -1.26 -2.56 118.68 121.89 2k5t s LEU 66 Ca -0.01 -1.00 0.03 0.00 -0.22 0.00 0.00 54.13 52.92 2k5t s LEU 66 Cb 0.00 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.77 2k5t s LEU 66 CO 0.04 -0.26 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.52 2k5t s ARG 67 N 1.59 2.21 0.18 1.98 0.52 -0.81 -5.04 118.95 119.58 2k5t s ARG 67 Ca -0.03 -0.58 0.10 0.00 -0.52 0.00 0.00 55.73 54.70 2k5t s ARG 67 Cb -0.18 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 2k5t s ARG 67 CO -0.07 0.04 -0.22 0.08 0.02 0.00 0.00 175.30 175.15 2k5t s VAL 68 N 0.68 2.15 0.81 3.52 1.01 -1.26 -1.06 120.40 126.25 2k5t s VAL 68 Ca -0.13 -1.95 -0.11 0.00 0.00 0.00 0.00 61.98 59.78 2k5t s VAL 68 Cb -0.16 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.30 2k5t s VAL 68 CO 0.03 -0.16 1.13 -0.13 0.00 0.00 0.00 175.10 175.98 2k5t s ARG 69 N -2.62 1.84 0.34 2.72 0.52 -0.83 -4.88 118.95 116.04 2k5t s ARG 69 Ca 0.18 1.42 0.11 0.00 -0.52 0.00 0.00 55.73 56.93 2k5t s ARG 69 Cb -0.08 -1.83 0.91 0.00 0.52 0.00 0.00 34.95 34.47 2k5t s ARG 69 CO 0.08 -2.00 1.77 0.93 0.02 0.00 0.00 175.30 176.10 2k5t h GLU 70 N -1.16 0.56 -0.90 3.54 3.07 -2.00 -1.68 114.58 116.01 2k5t h GLU 70 Ca -0.44 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2k5t h GLU 70 Cb 1.26 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 2k5t h GLU 70 CO 0.48 0.37 0.00 1.33 -1.40 0.00 0.00 179.01 179.79 2k5t n VAL 71 N -4.74 0.00 -0.07 3.13 0.24 -1.26 -2.89 118.33 112.74 2k5t n VAL 71 Ca 0.25 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.57 2k5t n VAL 71 Cb 0.72 -0.45 0.07 0.00 -1.47 0.00 0.00 33.84 32.70 2k5t n VAL 71 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2k5t n THR 72 N 0.03 0.97 -1.55 3.34 -2.24 -0.63 -4.91 114.28 109.29 2k5t n THR 72 Ca 0.00 -0.98 -0.42 0.00 -2.27 0.00 0.00 64.05 60.38 2k5t n THR 72 Cb 0.23 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 2k5t n THR 72 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2k5t n ARG 73 N -0.02 1.41 -3.79 -0.78 0.63 -1.14 -1.78 116.66 111.19 2k5t n ARG 73 Ca 0.05 0.28 -0.28 0.00 -0.92 0.00 0.00 57.85 56.99 2k5t n ARG 73 Cb 0.32 -3.11 0.05 0.00 0.45 0.00 0.00 32.46 30.17 2k5t n ARG 73 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2k5t n ARG 74 N 8.75 -6.47 -0.12 -0.14 1.74 -1.26 -4.88 116.66 114.27 2k5t n ARG 74 Ca 0.36 0.69 0.05 0.00 -0.77 0.00 0.00 57.85 58.18 2k5t n ARG 74 Cb 0.43 -5.64 0.12 0.00 -1.02 0.00 0.00 32.46 26.35 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 -4.80 2.25 0.00 5.56 0.63 -0.73 -4.98 116.66 114.59 2k5t n ARG 75 Ca 0.02 -1.78 0.00 0.00 -0.92 0.00 0.00 57.85 55.16 2k5t n ARG 75 Cb 0.54 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 32.22 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 0.49 3.00 0.32 5.14 0.00 -1.26 -4.85 105.19 108.02 2k5t n GLY 76 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 0.84 -0.88 1.61 2.07 -1.94 -1.77 116.25 116.18 2k5t h VAL 77 Ca 0.00 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.32 2k5t h VAL 77 Cb 0.00 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.73 2k5t h VAL 77 CO 0.00 0.14 0.58 1.23 0.02 0.00 0.00 177.57 179.54 2k5t h GLY 78 N 0.76 1.27 0.95 2.17 0.00 -1.89 -2.42 103.07 103.92 2k5t h GLY 78 Ca 0.44 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2k5t h GLY 78 CO -0.29 0.32 0.01 1.46 0.00 0.00 0.00 176.54 178.04 2k5t h GLN 79 N 1.03 0.04 -0.22 4.80 4.20 -1.73 -2.72 115.11 120.51 2k5t h GLN 79 Ca 0.37 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.99 2k5t h GLN 79 Cb 0.15 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2k5t h GLN 79 CO -0.13 0.02 -0.25 -0.92 -0.67 0.00 0.00 178.83 176.88 2k5t h TYR 80 N 0.04 0.46 -0.17 2.96 3.20 -1.44 -1.43 116.97 120.59 2k5t h TYR 80 Ca 0.02 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.82 2k5t h TYR 80 Cb 0.01 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2k5t h TYR 80 CO -0.09 0.63 0.01 1.25 -1.64 0.00 0.00 178.16 178.32 2k5t h LEU 81 N 0.36 -0.03 -0.72 2.82 5.85 -1.28 0.14 115.31 122.45 2k5t h LEU 81 Ca 0.06 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2k5t h LEU 81 Cb 0.64 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2k5t h LEU 81 CO 0.05 0.01 0.44 -0.07 -0.34 0.00 0.00 178.44 178.53 2k5t h LEU 82 N 0.07 0.87 -0.38 2.25 -0.00 -1.13 -1.76 115.31 115.23 2k5t h LEU 82 Ca 0.08 -0.06 0.03 0.00 -0.00 0.00 0.00 57.88 57.93 2k5t h LEU 82 Cb 0.09 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.49 2k5t h LEU 82 CO -0.12 0.67 0.19 -0.33 -0.00 0.00 0.00 178.44 178.85 2k5t h GLU 83 N 0.99 0.37 -0.70 1.13 5.08 -0.80 -0.47 114.58 120.18 2k5t h GLU 83 Ca 0.26 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2k5t h GLU 83 Cb -0.04 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2k5t h GLU 83 CO -0.05 0.25 0.45 0.93 -1.00 0.00 0.00 179.01 179.59 2k5t h GLU 84 N 0.38 0.87 0.22 2.33 4.39 -0.62 0.91 114.58 123.06 2k5t h GLU 84 Ca 0.16 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2k5t h GLU 84 Cb 0.07 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2k5t h GLU 84 CO -0.12 0.57 -0.11 0.28 -1.16 0.00 0.00 179.01 178.48 2k5t h VAL 85 N 0.89 0.79 -0.15 3.13 2.07 -0.76 0.12 116.25 122.34 2k5t h VAL 85 Ca 0.27 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 2k5t h VAL 85 Cb -0.03 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2k5t h VAL 85 CO -0.09 0.01 -0.16 -0.07 0.02 0.00 0.00 177.57 177.28 2k5t h LEU 86 N -0.33 0.23 0.05 2.57 4.07 -0.87 -2.63 115.31 118.41 2k5t h LEU 86 Ca -0.03 -0.05 -0.28 0.00 0.08 0.00 0.00 57.88 57.60 2k5t h LEU 86 Cb 0.25 -0.06 0.02 0.00 1.08 0.00 0.00 40.66 41.96 2k5t h LEU 86 CO 0.05 0.42 -1.12 0.03 -1.08 0.00 0.00 178.44 176.74 2k5t h ARG 87 N 0.23 0.66 -0.29 1.13 3.08 -0.59 -3.35 114.38 115.26 2k5t h ARG 87 Ca 0.04 -0.78 -0.18 0.00 0.07 0.00 0.00 59.98 59.13 2k5t h ARG 87 Cb 0.42 0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 2k5t h ARG 87 CO 0.03 1.35 -0.54 -0.97 -1.07 0.00 0.00 179.97 178.76 2k5t h ASN 88 N 0.33 0.95 -3.32 7.04 -0.73 -0.59 -3.44 115.58 115.82 2k5t h ASN 88 Ca -0.15 -0.51 -0.53 0.00 1.87 0.00 0.00 56.30 56.98 2k5t h ASN 88 Cb 1.78 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 40.10 2k5t h ASN 88 CO 0.22 1.30 0.52 0.20 -0.37 0.00 0.00 177.43 179.30 2k5t s ASN 89 N -6.95 7.15 0.00 1.15 0.01 -1.01 -4.99 114.94 110.32 2k5t s ASN 89 Ca -0.10 2.01 -0.02 0.00 -0.71 0.00 0.00 52.86 54.04 2k5t s ASN 89 Cb 0.10 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 2k5t s ASN 89 CO 0.89 -0.38 0.67 -0.65 -1.51 0.00 0.00 177.10 176.12 2k5t h PRO 90 N 6.29 -0.06 -2.28 -0.60 0.11 -1.89 -3.40 132.00 130.17 2k5t h PRO 90 Ca -0.42 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.09 2k5t h PRO 90 Cb 1.21 0.01 -0.41 0.00 0.11 0.00 0.00 31.00 31.92 2k5t h PRO 90 CO 0.78 -0.04 -0.56 0.41 -0.21 0.00 0.00 178.00 178.38 2k5t n GLY 91 N 0.02 5.52 3.14 -0.55 0.00 -1.26 -4.96 105.19 107.09 2k5t n GLY 91 Ca -0.01 -2.78 -0.35 0.00 0.00 0.00 0.00 46.02 42.88 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 -4.17 3.05 0.00 1.61 1.01 -1.26 -4.92 120.40 115.72 2k5t s VAL 92 Ca 0.47 -1.74 -0.08 0.00 0.00 0.00 0.00 61.98 60.63 2k5t s VAL 92 Cb 0.26 -2.93 -0.30 0.00 0.00 0.00 0.00 36.38 33.40 2k5t s VAL 92 CO -0.12 -0.38 0.86 -1.28 0.00 0.00 0.00 175.10 174.18 2k5t h SER 93 N 7.98 0.56 -3.63 3.32 0.87 -1.72 -3.37 113.55 117.56 2k5t h SER 93 Ca -0.16 -0.73 -0.70 0.00 -1.23 0.00 0.00 61.79 58.97 2k5t h SER 93 Cb 1.05 -0.18 -0.28 0.00 -0.44 0.00 0.00 62.40 62.54 2k5t h SER 93 CO 0.60 1.60 -0.58 0.00 -0.53 0.00 0.00 176.83 177.91 2k5t s TRP 95 N 1.41 3.21 -0.16 0.00 0.52 0.60 0.21 118.94 124.74 2k5t s TRP 95 Ca -0.00 -0.04 -0.01 0.00 0.02 0.00 0.00 56.10 56.07 2k5t s TRP 95 Cb -0.20 -2.63 -0.01 0.00 -1.15 0.00 0.00 33.47 29.48 2k5t s TRP 95 CO 0.03 -0.41 -0.13 -0.46 0.02 0.00 0.00 176.95 176.00 2k5t s TRP 96 N 1.96 2.82 -0.22 -1.98 -0.11 0.47 -0.12 118.94 121.77 2k5t s TRP 96 Ca 0.11 -0.89 -0.06 0.00 1.22 0.00 0.00 56.10 56.48 2k5t s TRP 96 Cb -0.17 -1.91 -0.03 0.00 -1.50 0.00 0.00 33.47 29.87 2k5t s TRP 96 CO 0.11 -0.39 0.04 -1.64 -4.62 0.00 0.00 176.95 170.45 2k5t s MET 97 N 0.75 3.66 0.68 5.86 -1.94 0.08 0.25 119.30 128.65 2k5t s MET 97 Ca -0.05 -0.49 -0.03 0.00 -1.71 0.00 0.00 55.69 53.41 2k5t s MET 97 Cb -0.15 -3.21 0.09 0.00 2.01 0.00 0.00 34.83 33.56 2k5t s MET 97 CO 0.01 -0.08 0.96 0.00 -0.01 0.00 0.00 175.02 175.90 2k5t s ALA 98 N 1.28 3.53 0.17 3.03 0.00 -0.50 -2.29 121.76 126.98 2k5t s ALA 98 Ca 0.04 -1.39 -0.15 0.00 0.00 0.00 0.00 51.96 50.47 2k5t s ALA 98 Cb -0.15 -2.22 0.08 0.00 0.00 0.00 0.00 23.12 20.84 2k5t s ALA 98 CO 0.02 -1.28 1.79 -0.44 0.00 0.00 0.00 175.76 175.86 2k5t h ASP 99 N -0.45 0.38 -0.62 0.00 5.19 -1.88 -3.46 116.42 115.58 2k5t h ASP 99 Ca -0.40 0.01 -0.27 0.00 -0.62 0.00 0.00 57.03 55.75 2k5t h ASP 99 Cb 1.28 -0.06 -0.11 0.00 0.18 0.00 0.00 39.33 40.62 2k5t h ASP 99 CO 0.48 0.27 -0.24 0.00 -3.12 0.00 0.00 179.24 176.63 2k5t n ALA 100 N -2.28 -0.20 -2.67 3.45 0.00 -1.26 -1.38 120.51 116.17 2k5t n ALA 100 Ca 0.03 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 2k5t n ALA 100 Cb 0.09 -1.73 0.02 0.00 0.00 0.00 0.00 19.45 17.83 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 -0.30 0.29 3.33 0.00 0.00 -1.26 -4.77 105.19 102.47 2k5t n GLY 101 Ca -0.13 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.89 4.25 -1.47 1.61 1.01 -0.48 -4.91 120.40 117.52 2k5t s VAL 102 Ca 0.15 -0.98 0.26 0.00 0.00 0.00 0.00 61.98 61.41 2k5t s VAL 102 Cb -0.07 -3.39 0.15 0.00 0.00 0.00 0.00 36.38 33.07 2k5t s VAL 102 CO 0.19 -0.22 1.47 -0.62 0.00 0.00 0.00 175.10 175.92 2k5t n GLU 103 N 4.92 0.53 -0.96 2.72 -0.58 -1.26 -4.30 120.64 121.71 2k5t n GLU 103 Ca -0.12 -0.32 -0.17 0.00 -0.42 0.00 0.00 57.16 56.13 2k5t n GLU 103 Cb 0.45 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.71 2k5t n GLU 103 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2k5t n ASP 104 N -0.96 5.48 0.24 1.62 8.00 -1.26 -4.52 116.55 125.15 2k5t n ASP 104 Ca 0.09 -2.40 0.13 0.00 0.71 0.00 0.00 54.79 53.31 2k5t n ASP 104 Cb 0.35 -1.31 0.47 0.00 -0.02 0.00 0.00 41.12 40.61 2k5t n ASP 104 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2k5t h ARG 105 N 3.87 0.00 0.65 -1.24 3.08 -1.98 -2.29 114.38 116.47 2k5t h ARG 105 Ca 0.33 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 2k5t h ARG 105 Cb 1.06 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.11 2k5t h ARG 105 CO 0.64 0.12 -0.31 0.78 -1.07 0.00 0.00 179.97 180.13 2k5t h GLY 106 N 2.47 -0.92 1.11 0.04 0.00 -1.96 0.42 103.07 104.23 2k5t h GLY 106 Ca -0.00 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 2k5t h GLY 106 CO 0.02 -0.33 0.46 -2.08 0.00 0.00 0.00 176.54 174.60 2k5t h VAL 107 N -0.91 1.24 -0.23 4.60 2.07 -1.93 -2.78 116.25 118.32 2k5t h VAL 107 Ca -0.09 -0.61 -0.17 0.00 0.82 0.00 0.00 66.70 66.65 2k5t h VAL 107 Cb 0.69 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2k5t h VAL 107 CO 0.15 0.27 -0.55 -0.03 0.02 0.00 0.00 177.57 177.43 2k5t h MET 108 N 1.17 0.70 -0.20 1.57 -1.53 -1.27 -2.52 114.93 112.84 2k5t h MET 108 Ca 0.29 -0.44 -0.02 0.00 -3.44 0.00 0.00 59.70 56.10 2k5t h MET 108 Cb 0.03 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.12 2k5t h MET 108 CO -0.05 1.06 0.07 1.15 0.14 0.00 0.00 176.91 179.28 2k5t h THR 109 N 0.53 1.18 -0.94 -0.77 2.02 0.01 0.14 112.91 115.09 2k5t h THR 109 Ca 0.01 -0.57 0.07 0.00 0.77 0.00 0.00 66.41 66.69 2k5t h THR 109 Cb 1.12 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 2k5t h THR 109 CO 0.11 0.18 0.61 0.00 0.37 0.00 0.00 175.52 176.79 2k5t h ALA 110 N 0.89 1.49 0.39 6.16 0.00 -1.49 0.43 119.26 127.13 2k5t h ALA 110 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2k5t h ALA 110 Cb 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k5t h ALA 110 CO -0.00 0.37 -0.19 0.35 0.00 0.00 0.00 179.25 179.78 2k5t h PHE 111 N 1.07 -0.48 0.00 0.00 3.57 -1.02 -2.60 116.94 117.48 2k5t h PHE 111 Ca 0.41 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.70 2k5t h PHE 111 Cb 0.21 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2k5t h PHE 111 CO -0.00 -0.22 -0.89 0.52 -2.23 0.00 0.00 178.31 175.49 2k5t h MET 112 N -0.66 0.23 -0.71 1.11 2.86 -0.58 -1.99 114.93 115.20 2k5t h MET 112 Ca -0.05 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.29 2k5t h MET 112 Cb 0.47 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2k5t h MET 112 CO 0.09 0.98 0.27 0.37 1.06 0.00 0.00 176.91 179.67 2k5t h GLN 113 N 0.13 1.07 0.00 1.72 4.15 -0.21 0.04 115.11 122.01 2k5t h GLN 113 Ca -0.05 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.09 2k5t h GLN 113 Cb 1.52 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.02 2k5t h GLN 113 CO 0.14 0.89 -0.38 0.00 -1.93 0.00 0.00 178.83 177.56 2k5t h ALA 114 N 1.13 0.91 -0.01 3.38 0.00 -1.42 -2.61 119.26 120.64 2k5t h ALA 114 Ca 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k5t h ALA 114 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k5t h ALA 114 CO -0.02 0.47 -0.00 -0.11 0.00 0.00 0.00 179.25 179.59 2k5t n LEU 115 N -3.41 0.60 -1.15 0.00 7.94 -0.74 -4.92 117.00 115.32 2k5t n LEU 115 Ca 0.00 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 2k5t n LEU 115 Cb 0.55 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 2k5t n LEU 115 CO 0.37 0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.36 2k5t n GLY 116 N 1.08 0.60 3.51 -3.96 0.00 -0.44 -5.04 105.19 100.94 2k5t n GLY 116 Ca 0.22 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.97 2.98 0.22 1.61 0.40 -0.13 -4.80 117.98 115.30 2k5t s PHE 117 Ca 0.00 -0.23 -0.21 0.00 -0.60 0.00 0.00 56.93 55.89 2k5t s PHE 117 Cb 0.00 -1.87 -0.08 0.00 0.51 0.00 0.00 43.02 41.58 2k5t s PHE 117 CO 0.00 0.07 0.76 0.99 0.70 0.00 0.00 175.22 177.74 2k5t s THR 118 N -0.03 4.49 -0.44 0.64 2.01 0.37 -4.59 115.64 118.08 2k5t s THR 118 Ca 0.00 1.43 -0.17 0.00 0.31 0.00 0.00 61.69 63.26 2k5t s THR 118 Cb -0.13 -3.93 0.04 0.00 0.01 0.00 0.00 72.50 68.49 2k5t s THR 118 CO 0.03 0.26 0.45 0.42 -0.69 0.00 0.00 174.62 175.08 2k5t s THR 119 N -1.46 5.10 0.36 -0.82 -4.23 -1.26 -0.39 115.64 112.93 2k5t s THR 119 Ca 0.42 -0.55 0.03 0.00 -1.18 0.00 0.00 61.69 60.41 2k5t s THR 119 Cb -0.18 -4.09 -0.01 0.00 1.34 0.00 0.00 72.50 69.56 2k5t s THR 119 CO 0.22 -0.51 0.54 -1.10 -0.54 0.00 0.00 174.62 173.23 2k5t s GLN 120 N 2.07 3.20 -0.78 3.99 -1.52 -0.42 -4.99 119.66 121.22 2k5t s GLN 120 Ca 0.10 -0.69 -0.26 0.00 -1.95 0.00 0.00 55.36 52.56 2k5t s GLN 120 Cb -0.19 -2.72 -0.01 0.00 -0.22 0.00 0.00 33.01 29.88 2k5t s GLN 120 CO 0.12 0.01 1.69 -0.65 -0.25 0.00 0.00 175.29 176.21 2k5t s GLN 121 N -4.30 2.88 0.00 2.91 -0.21 -1.26 -2.64 119.66 117.04 2k5t s GLN 121 Ca 0.44 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.75 2k5t s GLN 121 Cb -0.10 -4.66 0.00 0.00 1.00 0.00 0.00 33.01 29.26 2k5t s GLN 121 CO 0.34 -2.68 0.00 0.41 -2.12 0.00 0.00 175.29 171.24 2k5t n GLY 122 N 6.10 1.34 1.58 3.09 0.00 -1.26 -5.10 105.19 110.93 2k5t n GLY 122 Ca 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 0.49 3.77 -0.02 0.00 -1.08 -4.67 105.19 103.68 2k5t n GLY 123 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.74 3.41 -0.07 1.61 0.51 -0.97 -1.30 118.94 119.39 2k5t s TRP 124 Ca 0.12 0.34 0.03 0.00 -2.12 0.00 0.00 56.10 54.47 2k5t s TRP 124 Cb -0.00 -1.96 0.00 0.00 -0.81 0.00 0.00 33.47 30.70 2k5t s TRP 124 CO -0.00 0.50 -0.17 -2.00 -0.51 0.00 0.00 176.95 174.78 2k5t s GLU 125 N -0.54 2.06 -0.04 4.98 2.12 0.47 -0.74 118.70 127.01 2k5t s GLU 125 Ca 0.11 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.88 2k5t s GLU 125 Cb -0.12 -1.67 0.01 0.00 0.26 0.00 0.00 34.13 32.61 2k5t s GLU 125 CO 0.02 0.13 -0.09 0.21 -0.54 0.00 0.00 175.26 174.99 2k5t s LYS 126 N 0.39 1.06 -0.07 4.30 2.20 0.83 -0.48 119.74 127.98 2k5t s LYS 126 Ca -0.12 -0.29 -0.23 0.00 -0.36 0.00 0.00 55.97 54.97 2k5t s LYS 126 Cb -0.15 -0.97 -0.04 0.00 -1.51 0.00 0.00 37.83 35.16 2k5t s LYS 126 CO 0.05 0.07 0.69 0.00 -0.36 0.00 0.00 175.35 175.79