#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 3.54 -0.35 0.03 2.20 -1.26 -5.03 119.74 118.88 2k5t s LYS 2 Ca 0.00 -0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 55.12 2k5t s LYS 2 Cb 0.00 -3.84 0.02 0.00 -1.51 0.00 0.00 37.83 32.50 2k5t s LYS 2 CO 0.00 -0.73 1.11 -1.17 -0.36 0.00 0.00 175.35 174.21 2k5t s LEU 3 N 2.49 3.87 -0.62 5.43 2.96 -1.26 -4.85 118.68 126.69 2k5t s LEU 3 Ca 0.20 0.95 -0.26 0.00 -0.22 0.00 0.00 54.13 54.80 2k5t s LEU 3 Cb -0.15 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.03 2k5t s LEU 3 CO 0.14 -0.98 1.11 -0.89 -1.32 0.00 0.00 176.35 174.42 2k5t s THR 4 N 3.90 4.08 -0.20 3.68 2.01 -0.60 -4.90 115.64 123.61 2k5t s THR 4 Ca 0.47 0.43 -0.07 0.00 0.31 0.00 0.00 61.69 62.84 2k5t s THR 4 Cb -0.12 -4.72 -0.03 0.00 0.01 0.00 0.00 72.50 67.64 2k5t s THR 4 CO 0.19 -1.43 0.04 -0.51 -0.69 0.00 0.00 174.62 172.23 2k5t s ILE 5 N 4.76 4.43 0.23 1.82 2.07 -1.26 -0.25 121.20 133.00 2k5t s ILE 5 Ca 0.35 -0.15 0.08 0.00 -1.41 0.00 0.00 60.65 59.51 2k5t s ILE 5 Cb -0.10 -3.01 -0.05 0.00 0.13 0.00 0.00 42.46 39.43 2k5t s ILE 5 CO 0.19 0.42 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.87 2k5t s ILE 6 N 0.83 1.82 0.16 2.00 1.01 -0.31 -4.94 121.20 121.77 2k5t s ILE 6 Ca 0.03 -2.22 -0.22 0.00 0.00 0.00 0.00 60.65 58.23 2k5t s ILE 6 Cb -0.14 -2.15 -0.08 0.00 0.01 0.00 0.00 42.46 40.10 2k5t s ILE 6 CO 0.02 -0.51 0.71 -0.60 0.00 0.00 0.00 174.94 174.56 2k5t s ARG 7 N -3.64 4.39 -0.62 2.79 3.52 -1.26 0.30 118.95 124.43 2k5t s ARG 7 Ca 0.25 0.98 -0.28 0.00 -0.13 0.00 0.00 55.73 56.55 2k5t s ARG 7 Cb -0.00 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.26 2k5t s ARG 7 CO 0.09 0.54 1.37 -0.51 -0.81 0.00 0.00 175.30 175.97 2k5t s LEU 8 N -1.38 3.34 -0.06 -0.88 1.43 -0.04 -4.85 118.68 116.24 2k5t s LEU 8 Ca 0.36 0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 53.29 2k5t s LEU 8 Cb -0.20 -2.90 -0.29 0.00 0.03 0.00 0.00 46.19 42.82 2k5t s LEU 8 CO 0.23 -1.75 0.90 -0.33 0.23 0.00 0.00 176.35 175.63 2k5t h GLU 9 N 10.78 0.24 -4.62 1.70 4.39 -1.95 -3.45 114.58 121.68 2k5t h GLU 9 Ca -0.27 -0.39 -0.25 0.00 0.34 0.00 0.00 59.36 58.80 2k5t h GLU 9 Cb 1.08 0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 29.72 2k5t h GLU 9 CO 1.21 1.17 -0.64 0.15 -1.16 0.00 0.00 179.01 179.73 2k5t s LYS 10 N -2.50 1.10 -0.21 2.33 1.02 -1.26 -5.01 119.74 115.21 2k5t s LYS 10 Ca -0.15 -1.55 -0.00 0.00 0.02 0.00 0.00 55.97 54.29 2k5t s LYS 10 Cb 0.00 0.04 0.05 0.00 -0.52 0.00 0.00 37.83 37.41 2k5t s LYS 10 CO 0.80 -0.26 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.87 2k5t s PHE 11 N -3.93 2.00 0.61 3.18 0.40 -1.26 -5.07 117.98 113.92 2k5t s PHE 11 Ca 0.29 -1.44 0.09 0.00 -0.60 0.00 0.00 56.93 55.27 2k5t s PHE 11 Cb 0.07 -1.43 0.10 0.00 0.51 0.00 0.00 43.02 42.28 2k5t s PHE 11 CO 0.06 -0.71 0.84 0.43 0.70 0.00 0.00 175.22 176.54 2k5t n SER 12 N 4.78 2.13 -0.01 1.36 7.64 -1.26 -4.93 113.62 123.33 2k5t n SER 12 Ca -0.12 -2.56 -0.11 0.00 1.01 0.00 0.00 58.87 57.09 2k5t n SER 12 Cb 0.46 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2k5t n SER 12 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2k5t h ASP 13 N 0.06 0.12 -0.95 6.43 3.32 -2.00 -0.73 116.42 122.67 2k5t h ASP 13 Ca -0.28 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 56.69 2k5t h ASP 13 Cb 1.28 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 2k5t h ASP 13 CO 0.40 0.22 0.62 1.56 -1.72 0.00 0.00 179.24 180.32 2k5t h GLN 14 N 0.02 1.10 -0.21 3.56 1.08 -1.99 -0.12 115.11 118.54 2k5t h GLN 14 Ca 0.03 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 2k5t h GLN 14 Cb 0.13 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 2k5t h GLN 14 CO -0.00 0.73 -0.03 -0.44 -0.95 0.00 0.00 178.83 178.13 2k5t h ASP 15 N 1.13 0.40 -0.33 1.46 3.32 -1.88 -1.16 116.42 119.37 2k5t h ASP 15 Ca 0.40 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2k5t h ASP 15 Cb 0.13 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2k5t h ASP 15 CO -0.15 0.65 0.20 -0.09 -1.72 0.00 0.00 179.24 178.14 2k5t h ARG 16 N 0.14 0.44 -0.35 3.56 2.43 -0.47 0.21 114.38 120.34 2k5t h ARG 16 Ca 0.06 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2k5t h ARG 16 Cb 0.47 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2k5t h ARG 16 CO 0.02 0.33 0.19 0.82 -1.51 0.00 0.00 179.97 179.82 2k5t h ILE 17 N 0.43 1.14 -0.50 1.20 2.04 -1.01 -0.01 117.51 120.81 2k5t h ILE 17 Ca 0.12 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 2k5t h ILE 17 Cb -0.00 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2k5t h ILE 17 CO -0.02 0.14 -0.12 -0.78 0.00 0.00 0.00 178.15 177.37 2k5t h ASP 18 N 0.44 0.92 0.64 1.72 3.58 -0.95 -1.85 116.42 120.93 2k5t h ASP 18 Ca 0.12 -0.30 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 2k5t h ASP 18 Cb 0.06 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 2k5t h ASP 18 CO -0.02 1.04 -0.22 -0.07 -2.88 0.00 0.00 179.24 177.10 2k5t h LEU 19 N 0.82 0.00 -0.01 2.28 3.38 -0.36 -1.75 115.31 119.69 2k5t h LEU 19 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2k5t h LEU 19 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k5t h LEU 19 CO 0.05 0.22 0.00 -0.61 0.09 0.00 0.00 178.44 178.18 2k5t h GLN 20 N 0.00 0.00 0.00 1.13 4.15 -0.27 0.46 115.11 120.58 2k5t h GLN 20 Ca -0.00 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 2k5t h GLN 20 Cb 0.60 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 2k5t h GLN 20 CO 0.03 0.00 -0.67 0.87 -1.93 0.00 0.00 178.83 177.13 2k5t h LYS 21 N 0.00 0.00 0.03 1.69 1.57 -0.56 -2.85 116.57 116.45 2k5t h LYS 21 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2k5t h LYS 21 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2k5t h LYS 21 CO 0.00 0.67 -0.19 0.82 -0.57 0.00 0.00 179.45 180.18 2k5t h ILE 22 N 0.00 1.73 -3.58 1.86 2.04 -1.05 -3.42 117.51 115.09 2k5t h ILE 22 Ca -0.01 -2.37 -0.68 0.00 1.00 0.00 0.00 64.86 62.80 2k5t h ILE 22 Cb 1.25 3.33 -0.36 0.00 -0.74 0.00 0.00 36.82 40.30 2k5t h ILE 22 CO 0.09 0.63 -0.62 0.26 0.00 0.00 0.00 178.15 178.51 2k5t s TRP 23 N -2.31 3.64 0.54 1.37 0.51 0.16 -4.98 118.94 117.87 2k5t s TRP 23 Ca -0.18 -2.61 0.21 0.00 -2.12 0.00 0.00 56.10 51.41 2k5t s TRP 23 Cb -0.02 -3.06 1.40 0.00 -0.81 0.00 0.00 33.47 30.98 2k5t s TRP 23 CO 0.72 -0.96 2.11 -1.35 -0.51 0.00 0.00 176.95 176.97 2k5t h PRO 24 N 7.88 0.00 -2.64 4.98 0.11 -1.76 -3.28 132.00 137.30 2k5t h PRO 24 Ca -0.10 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.42 2k5t h PRO 24 Cb 1.04 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.76 2k5t h PRO 24 CO 0.62 0.00 -0.85 -1.21 -0.21 0.00 0.00 178.00 176.36 2k5t s GLU 25 N -4.97 0.97 0.29 1.05 2.02 -1.26 -5.00 118.70 111.80 2k5t s GLU 25 Ca -0.05 -1.88 -0.05 0.00 0.02 0.00 0.00 54.97 53.01 2k5t s GLU 25 Cb 0.17 -1.72 -0.05 0.00 0.10 0.00 0.00 34.13 32.63 2k5t s GLU 25 CO 0.66 -1.26 0.57 1.52 0.02 0.00 0.00 175.26 176.76 2k5t s TYR 26 N 0.40 3.47 -0.27 1.61 -0.85 -1.24 -5.08 117.35 115.39 2k5t s TYR 26 Ca 0.23 0.67 -0.11 0.00 -0.52 0.00 0.00 57.07 57.35 2k5t s TYR 26 Cb -0.13 -2.13 -0.05 0.00 0.38 0.00 0.00 41.96 40.03 2k5t s TYR 26 CO -0.07 0.16 0.18 -1.12 -1.52 0.00 0.00 175.55 173.18 2k5t s SER 27 N -3.13 6.03 0.55 -0.18 0.01 -1.26 -4.97 113.70 110.75 2k5t s SER 27 Ca 0.44 0.01 0.24 0.00 1.31 0.00 0.00 55.95 57.95 2k5t s SER 27 Cb -0.11 -2.12 1.49 0.00 0.21 0.00 0.00 66.02 65.49 2k5t s SER 27 CO 0.30 -0.03 2.11 -0.65 0.41 0.00 0.00 173.24 175.37 2k5t h PRO 28 N 8.23 0.00 -0.82 12.44 0.11 -1.98 -2.04 132.00 147.94 2k5t h PRO 28 Ca -0.36 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2k5t h PRO 28 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2k5t h PRO 28 CO 0.57 0.00 0.45 0.77 -0.21 0.00 0.00 178.00 179.58 2k5t h SER 29 N 0.00 1.02 -0.11 -2.05 0.02 -1.98 -1.89 113.55 108.56 2k5t h SER 29 Ca 0.09 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k5t h SER 29 Cb 0.40 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2k5t h SER 29 CO -0.00 0.83 0.00 -1.54 -1.14 0.00 0.00 176.83 174.97 2k5t n SER 30 N -4.40 1.18 -0.60 3.07 3.41 -0.78 -2.43 113.62 113.07 2k5t n SER 30 Ca 0.08 -1.61 0.13 0.00 -0.26 0.00 0.00 58.87 57.21 2k5t n SER 30 Cb 0.09 -0.07 0.33 0.00 -0.26 0.00 0.00 64.21 64.30 2k5t n SER 30 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k5t n LEU 31 N -0.00 1.95 -4.65 1.04 4.77 -0.71 -4.86 117.00 114.54 2k5t n LEU 31 Ca 0.16 -0.65 -0.43 0.00 -0.03 0.00 0.00 56.01 55.06 2k5t n LEU 31 Cb 0.25 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2k5t n LEU 31 CO 0.12 0.33 0.91 -1.10 -1.33 0.00 0.00 177.39 176.33 2k5t s GLN 32 N -2.11 4.15 -0.29 3.23 -0.21 -1.02 -5.00 119.66 118.40 2k5t s GLN 32 Ca 0.31 1.16 -0.17 0.00 0.02 0.00 0.00 55.36 56.68 2k5t s GLN 32 Cb 0.20 -3.69 -0.02 0.00 1.00 0.00 0.00 33.01 30.50 2k5t s GLN 32 CO 0.37 -0.76 0.49 0.08 -2.12 0.00 0.00 175.29 173.34 2k5t s VAL 33 N 3.39 5.07 0.00 1.09 1.01 -1.26 -4.75 120.40 124.96 2k5t s VAL 33 Ca 0.44 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2k5t s VAL 33 Cb -0.14 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2k5t s VAL 33 CO 0.11 0.01 0.00 -0.90 0.00 0.00 0.00 175.10 174.32 2k5t n ASP 34 N 5.56 0.48 0.18 3.32 5.75 -0.68 -5.01 116.55 126.14 2k5t n ASP 34 Ca -0.05 -0.45 0.02 0.00 -0.01 0.00 0.00 54.79 54.30 2k5t n ASP 34 Cb 0.50 0.00 0.33 0.00 -1.03 0.00 0.00 41.12 40.91 2k5t n ASP 34 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2k5t h ASP 35 N 0.00 0.00 0.00 -1.12 3.32 -1.95 -3.34 116.42 113.32 2k5t h ASP 35 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k5t h ASP 35 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2k5t h ASP 35 CO 0.00 0.42 -0.33 0.78 -1.72 0.00 0.00 179.24 178.39 2k5t h ASN 36 N 0.00 0.00 -2.14 6.45 2.35 -1.93 -3.41 115.58 116.90 2k5t h ASN 36 Ca -0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 2k5t h ASN 36 Cb 0.75 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.05 2k5t h ASN 36 CO 0.05 0.50 1.14 -1.00 -1.65 0.00 0.00 177.43 176.48 2k5t s HIS 37 N -1.82 2.21 -0.23 1.19 3.76 -1.25 -0.10 115.29 119.05 2k5t s HIS 37 Ca -0.10 -0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 54.80 2k5t s HIS 37 Cb 0.01 -4.55 0.02 0.00 1.11 0.00 0.00 32.58 29.17 2k5t s HIS 37 CO 0.14 -2.09 -0.09 1.03 -0.85 0.00 0.00 174.74 172.88 2k5t s ARG 38 N 5.87 2.95 -0.21 1.40 0.52 -0.43 -1.69 118.95 127.36 2k5t s ARG 38 Ca 0.41 -0.89 -0.12 0.00 -0.52 0.00 0.00 55.73 54.61 2k5t s ARG 38 Cb -0.08 -2.90 -0.05 0.00 0.52 0.00 0.00 34.95 32.44 2k5t s ARG 38 CO 0.13 -0.33 0.21 0.42 0.02 0.00 0.00 175.30 175.75 2k5t s ILE 39 N 1.34 5.34 -0.10 1.52 1.01 -1.26 -1.57 121.20 127.48 2k5t s ILE 39 Ca 0.02 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.92 2k5t s ILE 39 Cb -0.16 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2k5t s ILE 39 CO -0.06 0.36 0.18 -0.31 0.00 0.00 0.00 174.94 175.11 2k5t s TYR 40 N 0.83 3.62 -0.27 3.97 2.02 -0.33 -0.86 117.35 126.33 2k5t s TYR 40 Ca 0.11 0.59 -0.02 0.00 -0.37 0.00 0.00 57.07 57.37 2k5t s TYR 40 Cb -0.13 -1.98 0.03 0.00 -0.40 0.00 0.00 41.96 39.48 2k5t s TYR 40 CO 0.03 0.72 -0.02 0.00 -1.57 0.00 0.00 175.55 174.71 2k5t s ALA 41 N -1.05 2.78 -0.53 3.71 0.00 0.15 -2.48 121.76 124.34 2k5t s ALA 41 Ca 0.17 -1.56 -0.20 0.00 0.00 0.00 0.00 51.96 50.36 2k5t s ALA 41 Cb -0.13 -1.83 0.06 0.00 0.00 0.00 0.00 23.12 21.22 2k5t s ALA 41 CO 0.06 -0.98 0.72 0.00 0.00 0.00 0.00 175.76 175.56 2k5t s ALA 42 N 1.32 3.32 -0.09 0.00 0.00 0.45 -1.16 121.76 125.61 2k5t s ALA 42 Ca -0.01 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.30 2k5t s ALA 42 Cb -0.18 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 2k5t s ALA 42 CO -0.02 -2.16 -0.11 -0.98 0.00 0.00 0.00 175.76 172.49 2k5t s ARG 43 N 3.02 2.91 -0.67 0.00 1.70 0.66 -0.68 118.95 125.90 2k5t s ARG 43 Ca 0.19 -0.63 -0.15 0.00 -0.47 0.00 0.00 55.73 54.66 2k5t s ARG 43 Cb -0.18 -2.55 0.17 0.00 -0.57 0.00 0.00 34.95 31.82 2k5t s ARG 43 CO 0.13 0.49 0.62 0.12 -1.08 0.00 0.00 175.30 175.58 2k5t s PHE 44 N -0.37 3.47 0.00 5.89 5.36 -0.79 -1.56 117.98 129.98 2k5t s PHE 44 Ca 0.04 -1.59 0.00 0.00 -0.96 0.00 0.00 56.93 54.43 2k5t s PHE 44 Cb -0.12 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 38.74 2k5t s PHE 44 CO 0.02 -1.01 0.00 -1.71 -1.46 0.00 0.00 175.22 171.06 2k5t n ASN 45 N 4.72 0.00 -2.96 6.13 5.15 -1.26 -3.59 115.26 123.46 2k5t n ASN 45 Ca -0.02 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.81 2k5t n ASN 45 Cb 0.43 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.67 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 0.68 -3.50 1.20 4.07 -1.26 -5.09 120.64 116.74 2k5t n GLU 46 Ca 0.00 -2.41 -0.00 0.00 -0.06 0.00 0.00 57.16 54.69 2k5t n GLU 46 Cb 0.00 -1.40 -0.05 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 0.01 0.38 -0.97 5.31 1.70 -1.24 -5.09 118.95 119.04 2k5t s ARG 47 Ca 0.33 0.89 -0.24 0.00 -0.47 0.00 0.00 55.73 56.24 2k5t s ARG 47 Cb 0.17 0.45 0.03 0.00 -0.57 0.00 0.00 34.95 35.03 2k5t s ARG 47 CO -0.17 -0.12 1.53 -0.51 -1.08 0.00 0.00 175.30 174.95 2k5t s LEU 48 N 2.31 3.42 0.04 -1.89 1.43 -1.26 -1.89 118.68 120.83 2k5t s LEU 48 Ca -0.05 -1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 51.68 2k5t s LEU 48 Cb -0.07 -2.57 -0.33 0.00 0.03 0.00 0.00 46.19 43.26 2k5t s LEU 48 CO -0.17 -1.75 1.05 -0.07 0.23 0.00 0.00 176.35 175.63 2k5t h LEU 49 N 13.73 0.87 -8.09 1.79 3.38 -1.28 -3.46 115.31 122.25 2k5t h LEU 49 Ca 0.14 -0.87 -0.39 0.00 0.09 0.00 0.00 57.88 56.85 2k5t h LEU 49 Cb 1.01 -0.28 -0.27 0.00 0.09 0.00 0.00 40.66 41.21 2k5t h LEU 49 CO 1.38 1.67 -0.78 0.00 0.09 0.00 0.00 178.44 180.81 2k5t s ALA 50 N -2.77 0.79 -0.03 1.53 0.00 -1.05 -0.53 121.76 119.71 2k5t s ALA 50 Ca -0.09 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2k5t s ALA 50 Cb 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2k5t s ALA 50 CO 0.94 0.17 -0.04 0.00 0.00 0.00 0.00 175.76 176.83 2k5t s ALA 51 N -0.42 0.58 -0.01 0.00 0.00 -0.89 -0.41 121.76 120.61 2k5t s ALA 51 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2k5t s ALA 51 Cb -0.05 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2k5t s ALA 51 CO -0.00 0.03 -0.00 0.54 0.00 0.00 0.00 175.76 176.33 2k5t s VAL 52 N 0.61 0.09 -0.45 0.00 0.11 -1.04 -2.55 120.40 117.17 2k5t s VAL 52 Ca -0.08 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 58.87 2k5t s VAL 52 Cb -0.11 -0.14 0.06 0.00 -1.53 0.00 0.00 36.38 34.67 2k5t s VAL 52 CO -0.00 0.07 0.35 -0.13 -3.33 0.00 0.00 175.10 172.06 2k5t s ARG 53 N 0.47 2.90 -0.28 1.54 0.52 0.21 -1.18 118.95 123.13 2k5t s ARG 53 Ca -0.04 -1.31 -0.10 0.00 -0.52 0.00 0.00 55.73 53.76 2k5t s ARG 53 Cb -0.06 -4.02 -0.04 0.00 0.52 0.00 0.00 34.95 31.34 2k5t s ARG 53 CO -0.01 -0.95 0.16 0.54 0.02 0.00 0.00 175.30 175.05 2k5t s VAL 54 N 1.60 4.99 -0.68 3.52 0.11 -0.61 -1.22 120.40 128.11 2k5t s VAL 54 Ca 0.04 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.91 2k5t s VAL 54 Cb -0.23 -3.39 0.11 0.00 -1.53 0.00 0.00 36.38 31.34 2k5t s VAL 54 CO 0.06 0.25 0.84 -0.89 -3.33 0.00 0.00 175.10 172.03 2k5t s THR 55 N 1.71 4.77 -1.07 5.04 2.01 0.12 -1.31 115.64 126.91 2k5t s THR 55 Ca 0.07 -1.09 -0.18 0.00 0.31 0.00 0.00 61.69 60.80 2k5t s THR 55 Cb -0.16 -4.58 0.13 0.00 0.01 0.00 0.00 72.50 67.90 2k5t s THR 55 CO 0.09 -1.25 1.34 -0.76 -0.69 0.00 0.00 174.62 173.34 2k5t s LEU 56 N 2.75 4.72 -1.09 4.42 1.43 0.85 -0.72 118.68 131.04 2k5t s LEU 56 Ca 0.18 -2.33 -0.18 0.00 -1.03 0.00 0.00 54.13 50.78 2k5t s LEU 56 Cb -0.18 -2.44 0.12 0.00 0.03 0.00 0.00 46.19 43.72 2k5t s LEU 56 CO 0.03 -1.03 1.37 -0.55 0.23 0.00 0.00 176.35 176.40 2k5t s SER 57 N 3.61 6.79 0.99 2.29 0.15 0.19 -4.16 113.70 123.56 2k5t s SER 57 Ca 0.40 -2.34 0.00 0.00 0.70 0.00 0.00 55.95 54.71 2k5t s SER 57 Cb -0.03 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2k5t s SER 57 CO -0.05 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 173.96 2k5t n GLY 58 N 5.23 2.21 1.11 9.45 0.00 -1.26 -3.04 105.19 118.89 2k5t n GLY 58 Ca 0.33 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.73 -4.81 2.61 -2.24 -1.26 -4.89 114.28 104.41 2k5t n THR 59 Ca 0.00 -0.78 -0.25 0.00 -2.27 0.00 0.00 64.05 60.74 2k5t n THR 59 Cb 0.00 0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.27 1.60 -0.17 -0.78 2.02 -1.17 -0.36 118.70 118.56 2k5t s GLU 60 Ca 0.41 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.81 2k5t s GLU 60 Cb 0.22 -1.45 0.01 0.00 0.10 0.00 0.00 34.13 33.01 2k5t s GLU 60 CO 0.29 0.29 -0.20 0.20 0.02 0.00 0.00 175.26 175.86 2k5t s GLY 61 N -0.13 1.39 -0.20 -1.39 0.00 -0.78 -0.64 107.32 105.58 2k5t s GLY 61 Ca 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 2k5t s GLY 61 CO 0.01 0.17 -0.14 0.00 0.00 0.00 0.00 173.10 173.14 2k5t s ALA 62 N 1.11 2.51 -0.23 3.20 0.00 0.11 -0.24 121.76 128.22 2k5t s ALA 62 Ca 0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 2k5t s ALA 62 Cb -0.14 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 2k5t s ALA 62 CO -0.08 -0.41 0.43 -0.51 0.00 0.00 0.00 175.76 175.19 2k5t s LEU 63 N 1.35 4.10 0.00 0.00 1.02 0.81 0.15 118.68 126.11 2k5t s LEU 63 Ca 0.05 0.48 0.00 0.00 0.02 0.00 0.00 54.13 54.68 2k5t s LEU 63 Cb -0.14 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.52 2k5t s LEU 63 CO -0.09 -0.16 0.00 0.47 0.02 0.00 0.00 176.35 176.59 2k5t n ASP 64 N 4.95 0.00 -4.66 2.29 8.00 -0.36 -1.83 116.55 124.94 2k5t n ASP 64 Ca -0.07 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.02 2k5t n ASP 64 Cb 0.51 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.55 2k5t n ASP 64 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2k5t s SER 65 N -1.04 6.79 -0.09 -2.24 0.01 -1.25 -4.68 113.70 111.19 2k5t s SER 65 Ca 0.00 0.97 -0.03 0.00 1.31 0.00 0.00 55.95 58.20 2k5t s SER 65 Cb 0.00 -2.40 0.04 0.00 0.21 0.00 0.00 66.02 63.88 2k5t s SER 65 CO 0.00 -0.37 0.09 -0.22 0.41 0.00 0.00 173.24 173.15 2k5t s LEU 66 N 2.22 0.17 -0.06 2.44 2.96 -1.26 -0.62 118.68 124.53 2k5t s LEU 66 Ca 0.33 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 2k5t s LEU 66 Cb -0.16 -0.10 0.02 0.00 0.50 0.00 0.00 46.19 46.45 2k5t s LEU 66 CO 0.10 -0.28 0.14 -0.60 -1.32 0.00 0.00 176.35 174.39 2k5t s ARG 67 N 2.18 0.15 -0.00 1.98 3.52 -1.06 -5.05 118.95 120.67 2k5t s ARG 67 Ca 0.04 0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.92 2k5t s ARG 67 Cb -0.13 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.26 2k5t s ARG 67 CO -0.06 -0.05 -0.15 0.08 -0.81 0.00 0.00 175.30 174.32 2k5t s VAL 68 N 0.28 3.02 0.55 7.11 1.01 -1.26 -2.08 120.40 129.03 2k5t s VAL 68 Ca -0.02 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 2k5t s VAL 68 Cb -0.03 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2k5t s VAL 68 CO -0.01 0.45 1.28 -0.13 0.00 0.00 0.00 175.10 176.69 2k5t s ARG 69 N -1.14 3.18 0.53 2.72 0.52 0.31 -4.86 118.95 120.22 2k5t s ARG 69 Ca 0.14 2.04 0.34 0.00 -0.52 0.00 0.00 55.73 57.73 2k5t s ARG 69 Cb -0.11 -2.18 1.85 0.00 0.52 0.00 0.00 34.95 35.03 2k5t s ARG 69 CO 0.04 -1.10 2.04 0.93 0.02 0.00 0.00 175.30 177.23 2k5t h GLU 70 N 1.38 0.00 0.00 3.54 5.08 -1.99 0.15 114.58 122.75 2k5t h GLU 70 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2k5t h GLU 70 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k5t h GLU 70 CO 0.57 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.86 2k5t h VAL 71 N 0.00 0.00 -0.45 3.13 2.07 -1.97 -3.23 116.25 115.80 2k5t h VAL 71 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2k5t h VAL 71 Cb 0.09 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2k5t h VAL 71 CO 0.00 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.00 2k5t n THR 72 N -2.55 1.89 -3.12 2.57 -1.04 0.54 -4.98 114.28 107.59 2k5t n THR 72 Ca 0.04 -1.39 -0.36 0.00 -2.04 0.00 0.00 64.05 60.30 2k5t n THR 72 Cb 0.43 0.05 -0.06 0.00 -1.82 0.00 0.00 70.33 68.93 2k5t n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k5t s ARG 73 N -2.06 4.22 -1.56 -2.82 1.70 -1.22 -3.81 118.95 113.40 2k5t s ARG 73 Ca 0.43 0.83 0.00 0.00 -0.47 0.00 0.00 55.73 56.52 2k5t s ARG 73 Cb 0.30 -2.87 0.00 0.00 -0.57 0.00 0.00 34.95 31.81 2k5t s ARG 73 CO 0.17 0.39 0.00 0.54 -1.08 0.00 0.00 175.30 175.32 2k5t n ARG 74 N 0.69 -1.76 -0.03 3.89 1.74 -1.26 -4.82 116.66 115.11 2k5t n ARG 74 Ca -0.02 0.88 0.05 0.00 -0.77 0.00 0.00 57.85 57.98 2k5t n ARG 74 Cb 0.51 -5.42 0.06 0.00 -1.02 0.00 0.00 32.46 26.59 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 -2.68 0.90 -0.38 5.56 0.63 -1.25 -4.97 116.66 114.46 2k5t n ARG 75 Ca -0.19 -1.26 0.00 0.00 -0.92 0.00 0.00 57.85 55.47 2k5t n ARG 75 Cb 0.63 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.35 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 0.48 2.10 0.32 5.14 0.00 -1.26 -4.87 105.19 107.09 2k5t n GLY 76 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2k5t n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k5t h VAL 77 N 0.00 1.18 0.00 1.61 2.07 -1.94 -1.02 116.25 118.16 2k5t h VAL 77 Ca 0.00 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 2k5t h VAL 77 Cb 0.00 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 2k5t h VAL 77 CO 0.00 0.20 -0.13 1.23 0.02 0.00 0.00 177.57 178.89 2k5t h GLY 78 N 1.09 0.00 0.71 2.17 0.00 -1.90 -0.32 103.07 104.83 2k5t h GLY 78 Ca 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 2k5t h GLY 78 CO -0.09 0.00 -0.07 -1.61 0.00 0.00 0.00 176.54 174.78 2k5t h GLN 79 N 0.00 0.25 -0.86 4.80 4.15 -1.59 -2.74 115.11 119.12 2k5t h GLN 79 Ca -0.00 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 2k5t h GLN 79 Cb 0.33 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 2k5t h GLN 79 CO 0.02 0.61 0.45 -0.92 -1.93 0.00 0.00 178.83 177.05 2k5t h TYR 80 N -0.11 1.21 -0.28 3.99 5.03 -1.12 -2.66 116.97 123.03 2k5t h TYR 80 Ca 0.03 -0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.32 2k5t h TYR 80 Cb 0.54 -0.38 -0.05 0.00 1.55 0.00 0.00 36.73 38.38 2k5t h TYR 80 CO 0.07 0.85 -0.34 1.25 -1.32 0.00 0.00 178.16 178.67 2k5t h LEU 81 N 1.21 -1.15 -0.85 2.82 5.85 -0.90 -1.40 115.31 120.89 2k5t h LEU 81 Ca 0.30 0.15 -0.09 0.00 0.84 0.00 0.00 57.88 59.09 2k5t h LEU 81 Cb 0.07 0.48 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2k5t h LEU 81 CO -0.04 -0.23 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.69 2k5t h LEU 82 N -0.22 0.77 -0.92 2.25 -0.00 -1.46 -2.46 115.31 113.27 2k5t h LEU 82 Ca 0.05 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2k5t h LEU 82 Cb 0.35 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 40.76 2k5t h LEU 82 CO -0.38 0.88 0.59 -0.33 -0.00 0.00 0.00 178.44 179.20 2k5t h GLU 83 N 0.72 1.22 0.00 1.13 5.08 -1.08 -0.68 114.58 120.97 2k5t h GLU 83 Ca 0.13 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 2k5t h GLU 83 Cb 0.53 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2k5t h GLU 83 CO 0.03 0.82 -0.54 1.49 -1.00 0.00 0.00 179.01 179.81 2k5t h GLU 84 N 1.25 0.00 -0.32 2.33 4.81 -1.14 -1.97 114.58 119.55 2k5t h GLU 84 Ca 0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2k5t h GLU 84 Cb -0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2k5t h GLU 84 CO -0.07 0.54 0.14 0.28 -0.73 0.00 0.00 179.01 179.17 2k5t h VAL 85 N 0.00 1.17 0.00 0.32 2.07 -0.90 0.32 116.25 119.23 2k5t h VAL 85 Ca -0.01 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2k5t h VAL 85 Cb 1.40 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2k5t h VAL 85 CO 0.07 0.18 -0.11 -0.07 0.02 0.00 0.00 177.57 177.66 2k5t h LEU 86 N 0.38 0.00 -0.00 2.57 4.07 -1.10 -2.23 115.31 119.00 2k5t h LEU 86 Ca 0.11 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.95 2k5t h LEU 86 Cb 0.15 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.90 2k5t h LEU 86 CO -0.01 0.11 -0.45 -0.09 -1.08 0.00 0.00 178.44 176.92 2k5t h ARG 87 N 0.00 0.31 -0.22 1.13 2.43 -0.89 -3.31 114.38 113.83 2k5t h ARG 87 Ca -0.00 -0.33 0.03 0.00 -0.81 0.00 0.00 59.98 58.87 2k5t h ARG 87 Cb 0.61 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 2k5t h ARG 87 CO 0.01 1.02 0.05 -0.97 -1.51 0.00 0.00 179.97 178.58 2k5t h ASN 88 N -0.27 0.02 -4.23 -3.80 -1.24 -0.00 -3.34 115.58 102.73 2k5t h ASN 88 Ca -0.06 0.03 -0.64 0.00 0.71 0.00 0.00 56.30 56.35 2k5t h ASN 88 Cb 1.18 0.04 -0.41 0.00 0.73 0.00 0.00 38.32 39.86 2k5t h ASN 88 CO 0.09 0.04 -0.63 0.21 -1.29 0.00 0.00 177.43 175.86 2k5t s ASN 89 N -5.28 4.34 0.20 1.15 2.47 -0.87 -4.94 114.94 112.00 2k5t s ASN 89 Ca -0.13 -3.09 0.25 0.00 0.42 0.00 0.00 52.86 50.31 2k5t s ASN 89 Cb 0.10 -1.62 0.59 0.00 -1.45 0.00 0.00 41.25 38.87 2k5t s ASN 89 CO 0.69 -0.22 1.59 1.55 -3.72 0.00 0.00 177.10 176.99 2k5t h PRO 90 N 6.39 0.00 -2.68 0.43 0.13 -1.69 -3.40 132.00 131.17 2k5t h PRO 90 Ca -0.06 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.47 2k5t h PRO 90 Cb 0.88 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.97 2k5t h PRO 90 CO 0.69 0.00 2.63 0.41 -0.23 0.00 0.00 178.00 181.50 2k5t n GLY 91 N 1.30 4.34 2.99 1.56 0.00 -1.26 -4.84 105.19 109.27 2k5t n GLY 91 Ca 0.04 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 2k5t n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5t s VAL 92 N 0.80 1.03 -0.06 1.61 1.01 -1.26 -4.77 120.40 118.77 2k5t s VAL 92 Ca 0.65 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 2k5t s VAL 92 Cb 0.22 -0.97 -0.23 0.00 0.00 0.00 0.00 36.38 35.39 2k5t s VAL 92 CO -0.07 0.34 1.03 0.28 0.00 0.00 0.00 175.10 176.67 2k5t h SER 93 N 7.18 0.18 -3.31 3.32 0.02 -1.03 -3.40 113.55 116.52 2k5t h SER 93 Ca -0.32 -0.77 -0.48 0.00 -0.84 0.00 0.00 61.79 59.38 2k5t h SER 93 Cb 1.17 -0.06 -0.36 0.00 0.14 0.00 0.00 62.40 63.30 2k5t h SER 93 CO 0.46 0.93 -0.79 0.00 -1.14 0.00 0.00 176.83 176.29 2k5t s TRP 95 N 1.34 3.20 -0.17 0.00 0.52 -0.10 -1.86 118.94 121.88 2k5t s TRP 95 Ca -0.03 -0.12 -0.04 0.00 0.02 0.00 0.00 56.10 55.93 2k5t s TRP 95 Cb -0.14 -2.73 -0.03 0.00 -1.15 0.00 0.00 33.47 29.42 2k5t s TRP 95 CO -0.03 -0.51 -0.02 -0.46 0.02 0.00 0.00 176.95 175.95 2k5t s TRP 96 N 2.05 3.05 -0.34 -1.98 -0.11 0.66 -0.16 118.94 122.11 2k5t s TRP 96 Ca 0.12 -0.30 -0.05 0.00 1.22 0.00 0.00 56.10 57.09 2k5t s TRP 96 Cb -0.17 -1.99 0.05 0.00 -1.50 0.00 0.00 33.47 29.87 2k5t s TRP 96 CO 0.12 -0.06 0.10 -1.64 -4.62 0.00 0.00 176.95 170.86 2k5t s MET 97 N 0.47 2.51 0.40 5.86 -1.94 0.14 -0.14 119.30 126.61 2k5t s MET 97 Ca -0.03 -1.30 -0.23 0.00 -1.71 0.00 0.00 55.69 52.43 2k5t s MET 97 Cb -0.14 -3.44 -0.10 0.00 2.01 0.00 0.00 34.83 33.17 2k5t s MET 97 CO 0.02 -0.73 0.99 0.00 -0.01 0.00 0.00 175.02 175.30 2k5t s ALA 98 N 1.34 3.07 0.34 3.03 0.00 -0.76 0.23 121.76 129.01 2k5t s ALA 98 Ca -0.01 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.54 2k5t s ALA 98 Cb -0.20 -3.21 0.62 0.00 0.00 0.00 0.00 23.12 20.33 2k5t s ALA 98 CO 0.01 -0.03 1.90 -0.44 0.00 0.00 0.00 175.76 177.20 2k5t h ASP 99 N 2.32 0.52 0.00 0.00 3.32 -1.89 -3.46 116.42 117.23 2k5t h ASP 99 Ca -0.48 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.48 2k5t h ASP 99 Cb 1.20 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2k5t h ASP 99 CO 0.62 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 178.69 2k5t n ALA 100 N -2.47 0.00 -1.07 3.45 0.00 -1.26 -0.80 120.51 118.36 2k5t n ALA 100 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 2k5t n ALA 100 Cb 0.21 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 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 0.60 0.58 3.65 0.00 0.00 -1.26 -4.98 105.19 103.78 2k5t n GLY 101 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.04 3.82 -2.00 1.61 1.01 0.02 -4.87 120.40 117.95 2k5t s VAL 102 Ca 0.00 0.97 0.11 0.00 0.00 0.00 0.00 61.98 63.06 2k5t s VAL 102 Cb 0.00 -3.70 0.32 0.00 0.00 0.00 0.00 36.38 33.00 2k5t s VAL 102 CO 0.00 -0.16 1.32 -0.62 0.00 0.00 0.00 175.10 175.64 2k5t n GLU 103 N 7.15 0.87 -0.59 2.72 1.02 -1.26 -1.62 120.64 128.92 2k5t n GLU 103 Ca 0.17 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.33 2k5t n GLU 103 Cb 0.44 -1.20 0.23 0.00 -0.02 0.00 0.00 31.44 30.89 2k5t n GLU 103 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k5t n ASP 104 N -0.70 3.23 0.16 1.62 8.00 -1.26 -4.73 116.55 122.88 2k5t n ASP 104 Ca 0.08 -3.34 0.15 0.00 0.71 0.00 0.00 54.79 52.39 2k5t n ASP 104 Cb 0.04 -0.58 0.72 0.00 -0.02 0.00 0.00 41.12 41.27 2k5t n ASP 104 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2k5t h ARG 105 N 1.36 0.00 -0.21 -1.24 0.11 -1.67 0.13 114.38 112.86 2k5t h ARG 105 Ca 0.11 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.14 2k5t h ARG 105 Cb 1.55 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.62 2k5t h ARG 105 CO 0.30 0.00 -0.05 0.78 0.10 0.00 0.00 179.97 181.11 2k5t h GLY 106 N 0.00 0.44 1.36 0.08 0.00 -1.86 0.98 103.07 104.07 2k5t h GLY 106 Ca 0.10 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 2k5t h GLY 106 CO -0.00 0.33 -0.13 -2.08 0.00 0.00 0.00 176.54 174.66 2k5t h VAL 107 N 0.14 1.26 -0.16 4.60 2.07 -1.59 -2.50 116.25 120.07 2k5t h VAL 107 Ca 0.05 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 2k5t h VAL 107 Cb 0.49 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2k5t h VAL 107 CO 0.02 0.40 -0.25 0.24 0.02 0.00 0.00 177.57 178.00 2k5t h MET 108 N 0.68 0.29 -0.47 1.57 2.07 -0.67 -0.75 114.93 117.64 2k5t h MET 108 Ca 0.11 -0.10 -0.02 0.00 -2.07 0.00 0.00 59.70 57.63 2k5t h MET 108 Cb 0.61 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.29 2k5t h MET 108 CO 0.04 0.53 0.22 1.15 1.07 0.00 0.00 176.91 179.92 2k5t h THR 109 N 0.26 1.19 -0.78 2.22 2.02 -0.37 0.43 112.91 117.88 2k5t h THR 109 Ca 0.04 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.63 2k5t h THR 109 Cb 0.59 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2k5t h THR 109 CO 0.04 0.21 0.30 0.00 0.37 0.00 0.00 175.52 176.45 2k5t h ALA 110 N 1.07 1.06 -0.85 6.16 0.00 -1.16 -1.64 119.26 123.90 2k5t h ALA 110 Ca 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k5t h ALA 110 Cb 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2k5t h ALA 110 CO -0.02 0.66 0.46 0.35 0.00 0.00 0.00 179.25 180.70 2k5t h PHE 111 N 1.14 1.18 -0.56 0.00 3.57 -0.63 -2.09 116.94 119.56 2k5t h PHE 111 Ca 0.26 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 2k5t h PHE 111 Cb 0.22 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2k5t h PHE 111 CO 0.02 0.82 0.16 0.52 -2.23 0.00 0.00 178.31 177.61 2k5t h MET 112 N 1.20 0.84 0.00 1.11 2.86 0.41 -1.35 114.93 120.00 2k5t h MET 112 Ca 0.30 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 2k5t h MET 112 Cb 0.04 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2k5t h MET 112 CO -0.05 0.73 -0.30 1.96 1.06 0.00 0.00 176.91 180.31 2k5t h GLN 113 N 0.81 0.00 -0.19 1.72 4.20 -0.72 0.30 115.11 121.22 2k5t h GLN 113 Ca 0.18 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.69 2k5t h GLN 113 Cb 0.25 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.04 2k5t h GLN 113 CO -0.01 0.30 -0.68 0.00 -0.67 0.00 0.00 178.83 177.78 2k5t h ALA 114 N 1.70 0.34 -0.06 3.87 0.00 -0.69 -3.31 119.26 121.11 2k5t h ALA 114 Ca -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 2k5t h ALA 114 Cb 0.63 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k5t h ALA 114 CO 0.04 0.65 -0.04 -0.07 0.00 0.00 0.00 179.25 179.83 2k5t h LEU 115 N 0.55 0.14 0.00 0.00 3.38 -0.77 -3.48 115.31 115.13 2k5t h LEU 115 Ca -0.03 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k5t h LEU 115 Cb 1.31 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2k5t h LEU 115 CO 0.14 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.83 2k5t n GLY 116 N 0.09 1.56 3.94 0.83 0.00 0.77 -5.09 105.19 107.29 2k5t n GLY 116 Ca -0.07 0.00 -0.27 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 -1.56 3.49 0.22 1.61 0.40 0.41 -4.88 117.98 117.66 2k5t s PHE 117 Ca 0.00 0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.61 2k5t s PHE 117 Cb 0.00 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 2k5t s PHE 117 CO 0.00 0.47 0.09 0.99 0.70 0.00 0.00 175.22 177.47 2k5t s THR 118 N -1.77 4.04 -0.31 0.64 2.01 0.59 -4.25 115.64 116.57 2k5t s THR 118 Ca 0.36 -1.48 -0.14 0.00 0.31 0.00 0.00 61.69 60.74 2k5t s THR 118 Cb -0.11 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 2k5t s THR 118 CO 0.29 -0.26 0.33 0.42 -0.69 0.00 0.00 174.62 174.71 2k5t s THR 119 N -2.02 5.20 0.56 -0.82 -4.23 -1.26 -0.06 115.64 113.01 2k5t s THR 119 Ca 0.31 0.18 0.08 0.00 -1.18 0.00 0.00 61.69 61.08 2k5t s THR 119 Cb -0.08 -3.74 0.08 0.00 1.34 0.00 0.00 72.50 70.10 2k5t s THR 119 CO 0.22 0.03 0.69 0.00 -0.54 0.00 0.00 174.62 175.02 2k5t n GLN 120 N 5.30 0.63 -1.55 3.99 1.13 -0.33 -4.94 117.38 121.62 2k5t n GLN 120 Ca -0.10 -3.16 -0.28 0.00 -1.94 0.00 0.00 57.00 51.52 2k5t n GLN 120 Cb 0.50 -0.08 -0.05 0.00 0.11 0.00 0.00 30.24 30.72 2k5t n GLN 120 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2k5t n GLN 121 N -2.12 2.58 0.00 -1.09 6.02 -1.26 -3.82 117.38 117.69 2k5t n GLN 121 Ca 0.11 -2.48 0.00 0.00 -0.01 0.00 0.00 57.00 54.63 2k5t n GLN 121 Cb 0.60 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 29.67 2k5t n GLN 121 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k5t n GLY 122 N 0.87 0.00 0.00 1.08 0.00 -1.26 -5.15 105.19 100.74 2k5t n GLY 122 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.72 3.90 -0.02 0.00 -1.25 -4.81 105.19 102.30 2k5t n GLY 123 Ca 0.00 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.68 3.50 -0.01 1.61 0.51 0.14 -1.19 118.94 122.82 2k5t s TRP 124 Ca 0.00 0.53 0.00 0.00 -2.12 0.00 0.00 56.10 54.51 2k5t s TRP 124 Cb 0.00 -1.98 0.01 0.00 -0.81 0.00 0.00 33.47 30.69 2k5t s TRP 124 CO 0.00 0.49 -0.01 -2.00 -0.51 0.00 0.00 176.95 174.92 2k5t s GLU 125 N -2.44 0.15 -0.33 4.98 2.12 0.92 0.28 118.70 124.38 2k5t s GLU 125 Ca 0.37 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.67 2k5t s GLU 125 Cb -0.13 -0.19 0.12 0.00 0.26 0.00 0.00 34.13 34.19 2k5t s GLU 125 CO 0.23 -0.00 0.16 0.21 -0.54 0.00 0.00 175.26 175.32 2k5t s LYS 126 N 0.19 0.55 -0.43 4.30 2.20 0.77 -0.30 119.74 127.03 2k5t s LYS 126 Ca -0.02 -1.09 -0.29 0.00 -0.36 0.00 0.00 55.97 54.22 2k5t s LYS 126 Cb -0.03 -1.53 0.02 0.00 -1.51 0.00 0.00 37.83 34.77 2k5t s LYS 126 CO -0.01 -1.09 1.31 0.00 -0.36 0.00 0.00 175.35 175.20