#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 3.35 -0.43 0.03 1.02 -1.26 -5.07 119.74 117.39 2k5t s LYS 2 Ca 0.00 -0.67 -0.26 0.00 0.02 0.00 0.00 55.97 55.06 2k5t s LYS 2 Cb 0.00 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 2k5t s LYS 2 CO 0.00 -0.28 0.96 -1.17 -0.92 0.00 0.00 175.35 173.94 2k5t s LEU 3 N 1.52 3.94 -1.01 3.17 2.96 -1.26 -4.96 118.68 123.05 2k5t s LEU 3 Ca 0.05 0.35 -0.22 0.00 -0.22 0.00 0.00 54.13 54.10 2k5t s LEU 3 Cb -0.16 -3.28 0.07 0.00 0.50 0.00 0.00 46.19 43.33 2k5t s LEU 3 CO 0.01 -1.01 1.37 -0.89 -1.32 0.00 0.00 176.35 174.50 2k5t s THR 4 N 3.77 4.17 -0.28 3.68 2.01 -1.08 -4.91 115.64 122.99 2k5t s THR 4 Ca 0.39 -1.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.25 2k5t s THR 4 Cb -0.10 -4.98 -0.03 0.00 0.01 0.00 0.00 72.50 67.39 2k5t s THR 4 CO 0.24 -1.82 0.15 -0.51 -0.69 0.00 0.00 174.62 172.00 2k5t s ILE 5 N 4.27 4.88 0.13 1.82 2.07 -1.26 -0.39 121.20 132.72 2k5t s ILE 5 Ca 0.42 -0.08 0.08 0.00 -1.41 0.00 0.00 60.65 59.67 2k5t s ILE 5 Cb -0.01 -3.36 -0.04 0.00 0.13 0.00 0.00 42.46 39.18 2k5t s ILE 5 CO -0.09 0.22 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.39 2k5t s ILE 6 N 1.69 3.07 -0.28 2.00 1.01 -0.37 -4.90 121.20 123.43 2k5t s ILE 6 Ca 0.06 -1.47 -0.19 0.00 0.00 0.00 0.00 60.65 59.06 2k5t s ILE 6 Cb -0.16 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 2k5t s ILE 6 CO 0.08 0.06 0.56 0.00 0.00 0.00 0.00 174.94 175.63 2k5t s ARG 7 N -2.32 4.01 -1.02 2.79 1.70 -1.26 -0.83 118.95 122.03 2k5t s ARG 7 Ca 0.21 0.32 -0.20 0.00 -0.47 0.00 0.00 55.73 55.58 2k5t s ARG 7 Cb -0.10 -3.68 -0.09 0.00 -0.57 0.00 0.00 34.95 30.51 2k5t s ARG 7 CO 0.12 -0.43 1.96 1.28 -1.08 0.00 0.00 175.30 177.16 2k5t n LEU 8 N 5.65 4.43 -0.07 -1.89 7.99 0.14 -4.29 117.00 128.96 2k5t n LEU 8 Ca -0.03 -3.25 0.11 0.00 -0.01 0.00 0.00 56.01 52.83 2k5t n LEU 8 Cb 0.49 -1.39 0.05 0.00 -0.11 0.00 0.00 43.42 42.46 2k5t n LEU 8 CO 0.42 -0.37 0.20 1.21 -1.51 0.00 0.00 177.39 177.34 2k5t n GLU 9 N 7.23 0.19 -3.86 3.23 2.13 -1.26 -4.48 120.64 123.82 2k5t n GLU 9 Ca 0.49 -0.15 -0.12 0.00 0.66 0.00 0.00 57.16 58.05 2k5t n GLU 9 Cb 0.42 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.51 2k5t n GLU 9 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2k5t s LYS 10 N -2.91 0.24 0.06 5.31 2.20 -1.26 -5.04 119.74 118.33 2k5t s LYS 10 Ca 0.11 -0.08 0.08 0.00 -0.36 0.00 0.00 55.97 55.72 2k5t s LYS 10 Cb 0.17 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.56 2k5t s LYS 10 CO 0.76 -0.04 -0.21 -0.06 -0.36 0.00 0.00 175.35 175.44 2k5t s PHE 11 N -0.48 1.82 0.50 4.03 0.40 -1.26 -5.08 117.98 117.91 2k5t s PHE 11 Ca -0.06 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 2k5t s PHE 11 Cb -0.04 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 2k5t s PHE 11 CO 0.00 0.12 0.03 -1.54 0.70 0.00 0.00 175.22 174.53 2k5t s SER 12 N -1.33 4.14 0.16 1.36 1.04 -1.26 -5.03 113.70 112.77 2k5t s SER 12 Ca 0.07 -1.60 -0.01 0.00 0.48 0.00 0.00 55.95 54.90 2k5t s SER 12 Cb -0.09 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2k5t s SER 12 CO 0.02 -0.83 1.37 0.44 0.98 0.00 0.00 173.24 175.23 2k5t h ASP 13 N 1.35 0.42 0.30 7.02 3.32 -2.01 -2.33 116.42 124.50 2k5t h ASP 13 Ca -0.44 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.28 2k5t h ASP 13 Cb 1.31 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2k5t h ASP 13 CO 0.74 1.09 -0.14 -0.61 -1.72 0.00 0.00 179.24 178.60 2k5t h GLN 14 N 0.20 -0.38 -0.16 3.56 4.15 -1.99 -2.19 115.11 118.31 2k5t h GLN 14 Ca -0.05 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 2k5t h GLN 14 Cb 1.45 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.22 2k5t h GLN 14 CO 0.14 -0.11 -0.04 -0.44 -1.93 0.00 0.00 178.83 176.45 2k5t h ASP 15 N -0.63 0.21 -0.78 -0.69 3.32 -1.97 0.12 116.42 115.99 2k5t h ASP 15 Ca -0.04 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 2k5t h ASP 15 Cb 0.45 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2k5t h ASP 15 CO 0.07 0.29 0.31 -0.09 -1.72 0.00 0.00 179.24 178.10 2k5t h ARG 16 N 0.22 1.17 0.00 3.56 1.12 -1.32 0.84 114.38 119.98 2k5t h ARG 16 Ca 0.05 -0.21 -0.11 0.00 -1.11 0.00 0.00 59.98 58.59 2k5t h ARG 16 Cb 0.22 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 29.98 2k5t h ARG 16 CO 0.01 0.95 -0.54 0.82 -3.11 0.00 0.00 179.97 178.10 2k5t h ILE 17 N 1.14 0.99 -0.11 1.20 2.04 -0.50 -2.12 117.51 120.14 2k5t h ILE 17 Ca 0.26 -2.21 -0.18 0.00 1.00 0.00 0.00 64.86 63.74 2k5t h ILE 17 Cb 0.22 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2k5t h ILE 17 CO -0.02 0.53 -0.67 0.44 0.00 0.00 0.00 178.15 178.43 2k5t h ASP 18 N 0.00 0.54 0.14 1.72 5.19 -0.41 -0.77 116.42 122.82 2k5t h ASP 18 Ca -0.01 -0.33 -0.04 0.00 -0.62 0.00 0.00 57.03 56.03 2k5t h ASP 18 Cb 1.31 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 2k5t h ASP 18 CO 0.07 1.06 -0.17 -0.07 -3.12 0.00 0.00 179.24 177.00 2k5t h LEU 19 N 0.33 0.07 -1.11 1.55 3.38 -0.74 -0.71 115.31 118.08 2k5t h LEU 19 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2k5t h LEU 19 Cb 1.23 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k5t h LEU 19 CO 0.12 0.26 -0.12 -0.61 0.09 0.00 0.00 178.44 178.18 2k5t h GLN 20 N 0.07 0.00 -0.07 1.13 4.15 -0.73 0.17 115.11 119.82 2k5t h GLN 20 Ca 0.01 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.27 2k5t h GLN 20 Cb 0.35 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2k5t h GLN 20 CO 0.02 0.12 -0.65 0.87 -1.93 0.00 0.00 178.83 177.26 2k5t h LYS 21 N 0.00 0.30 0.04 1.69 1.57 0.32 -3.11 116.57 117.38 2k5t h LYS 21 Ca -0.00 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2k5t h LYS 21 Cb 0.69 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2k5t h LYS 21 CO 0.02 0.85 -0.02 0.82 -0.57 0.00 0.00 179.45 180.54 2k5t h ILE 22 N 0.21 1.34 -3.83 1.86 1.08 -0.94 -3.43 117.51 113.80 2k5t h ILE 22 Ca -0.01 -1.63 -0.67 0.00 -0.39 0.00 0.00 64.86 62.16 2k5t h ILE 22 Cb 1.18 2.35 -0.36 0.00 -3.07 0.00 0.00 36.82 36.93 2k5t h ILE 22 CO 0.10 0.39 -0.79 0.26 -0.69 0.00 0.00 178.15 177.42 2k5t s TRP 23 N -3.04 3.26 -0.40 1.37 0.51 0.55 -4.97 118.94 116.22 2k5t s TRP 23 Ca -0.15 -2.25 0.26 0.00 -2.12 0.00 0.00 56.10 51.84 2k5t s TRP 23 Cb -0.01 -1.95 0.98 0.00 -0.81 0.00 0.00 33.47 31.68 2k5t s TRP 23 CO 0.59 -0.87 1.78 -1.35 -0.51 0.00 0.00 176.95 176.59 2k5t h PRO 24 N 7.81 0.00 -2.60 4.98 0.11 -1.82 -3.37 132.00 137.11 2k5t h PRO 24 Ca -0.20 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.32 2k5t h PRO 24 Cb 1.05 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.77 2k5t h PRO 24 CO 0.47 0.00 -0.86 -1.21 -0.21 0.00 0.00 178.00 176.19 2k5t s GLU 25 N -3.34 0.89 -0.02 1.05 2.02 -1.26 -5.08 118.70 112.95 2k5t s GLU 25 Ca 0.05 -1.81 0.02 0.00 0.02 0.00 0.00 54.97 53.25 2k5t s GLU 25 Cb 0.09 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.71 2k5t s GLU 25 CO 0.49 -1.27 -0.08 1.52 0.02 0.00 0.00 175.26 175.94 2k5t s TYR 26 N 0.48 0.83 0.01 1.61 1.13 -1.26 -5.14 117.35 115.00 2k5t s TYR 26 Ca 0.23 -0.20 -0.09 0.00 -1.41 0.00 0.00 57.07 55.60 2k5t s TYR 26 Cb -0.13 -0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 40.07 2k5t s TYR 26 CO -0.07 -0.09 0.31 -1.12 -2.51 0.00 0.00 175.55 172.06 2k5t s SER 27 N 0.24 6.58 0.34 -0.18 0.01 -1.26 -4.98 113.70 114.45 2k5t s SER 27 Ca -0.03 0.69 0.23 0.00 1.31 0.00 0.00 55.95 58.14 2k5t s SER 27 Cb -0.08 -2.14 1.23 0.00 0.21 0.00 0.00 66.02 65.24 2k5t s SER 27 CO 0.00 0.27 1.70 1.55 0.41 0.00 0.00 173.24 177.17 2k5t h PRO 28 N 4.20 0.00 0.00 12.44 0.13 -2.01 -2.31 132.00 144.45 2k5t h PRO 28 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2k5t h PRO 28 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k5t h PRO 28 CO 0.64 0.00 -0.10 0.77 -0.23 0.00 0.00 178.00 179.09 2k5t h SER 29 N 0.00 0.00 1.18 1.44 0.02 -1.98 -0.54 113.55 113.67 2k5t h SER 29 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k5t h SER 29 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k5t h SER 29 CO 0.00 0.10 -0.46 0.77 -1.14 0.00 0.00 176.83 176.09 2k5t h SER 30 N 0.00 0.00 0.20 3.07 4.64 -1.83 -3.13 113.55 116.49 2k5t h SER 30 Ca -0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2k5t h SER 30 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2k5t h SER 30 CO 0.01 0.05 -0.09 0.18 -0.87 0.00 0.00 176.83 176.11 2k5t n LEU 31 N -2.38 0.75 -4.55 5.97 4.77 -0.24 -4.72 117.00 116.60 2k5t n LEU 31 Ca 0.03 -0.16 -0.34 0.00 -0.03 0.00 0.00 56.01 55.51 2k5t n LEU 31 Cb 0.47 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 2k5t n LEU 31 CO 0.35 0.13 1.48 -1.10 -1.33 0.00 0.00 177.39 176.92 2k5t s GLN 32 N -2.30 2.64 0.33 3.23 -0.21 -1.02 -4.95 119.66 117.38 2k5t s GLN 32 Ca 0.33 0.15 0.07 0.00 0.02 0.00 0.00 55.36 55.93 2k5t s GLN 32 Cb 0.20 -4.70 -0.02 0.00 1.00 0.00 0.00 33.01 29.50 2k5t s GLN 32 CO 0.43 -2.98 0.40 0.14 -2.12 0.00 0.00 175.29 171.16 2k5t s VAL 33 N 9.31 3.85 0.00 1.09 -7.23 -1.26 -4.92 120.40 121.24 2k5t s VAL 33 Ca 0.67 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 2k5t s VAL 33 Cb -0.10 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.52 2k5t s VAL 33 CO 0.10 -0.16 0.00 -0.90 -0.31 0.00 0.00 175.10 173.83 2k5t n ASP 34 N -1.53 0.00 0.21 4.85 5.75 -0.19 -4.96 116.55 120.68 2k5t n ASP 34 Ca -0.01 -0.45 0.08 0.00 -0.01 0.00 0.00 54.79 54.40 2k5t n ASP 34 Cb 0.59 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 41.07 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 -2.00 -3.34 116.42 113.29 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 0.28 -0.26 0.78 -1.72 0.00 0.00 179.24 178.32 2k5t h ASN 36 N 0.00 0.00 -2.50 6.45 2.35 -1.93 -3.44 115.58 116.51 2k5t h ASN 36 Ca -0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 2k5t h ASN 36 Cb 0.84 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.07 2k5t h ASN 36 CO 0.04 0.49 0.69 -2.28 -1.65 0.00 0.00 177.43 174.72 2k5t s HIS 37 N -1.75 2.69 0.08 1.19 2.46 -1.25 0.11 115.29 118.82 2k5t s HIS 37 Ca -0.07 -0.64 0.06 0.00 0.47 0.00 0.00 55.06 54.88 2k5t s HIS 37 Cb 0.01 -4.35 -0.04 0.00 -0.13 0.00 0.00 32.58 28.07 2k5t s HIS 37 CO 0.11 -1.69 -0.07 1.03 -2.47 0.00 0.00 174.74 171.65 2k5t s ARG 38 N 4.09 2.30 -0.22 2.88 0.52 0.11 -1.02 118.95 127.61 2k5t s ARG 38 Ca 0.26 -0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2k5t s ARG 38 Cb -0.13 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 32.96 2k5t s ARG 38 CO 0.07 0.53 -0.09 0.42 0.02 0.00 0.00 175.30 176.25 2k5t s ILE 39 N -1.19 2.81 -0.25 1.52 1.01 -1.26 -0.71 121.20 123.14 2k5t s ILE 39 Ca 0.21 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 2k5t s ILE 39 Cb -0.11 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2k5t s ILE 39 CO 0.13 0.36 0.12 -0.31 0.00 0.00 0.00 174.94 175.24 2k5t s TYR 40 N 1.36 3.18 -0.15 3.97 1.51 0.66 0.28 117.35 128.17 2k5t s TYR 40 Ca 0.03 -0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 56.00 2k5t s TYR 40 Cb -0.15 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.43 2k5t s TYR 40 CO -0.06 -0.15 -0.10 0.00 -1.11 0.00 0.00 175.55 174.12 2k5t s ALA 41 N 1.37 2.71 -0.55 3.71 0.00 -0.01 -0.60 121.76 128.40 2k5t s ALA 41 Ca 0.06 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 50.91 2k5t s ALA 41 Cb -0.15 -1.34 0.06 0.00 0.00 0.00 0.00 23.12 21.70 2k5t s ALA 41 CO 0.06 0.16 0.73 0.00 0.00 0.00 0.00 175.76 176.71 2k5t s ALA 42 N 0.49 3.32 -0.58 0.00 0.00 0.13 -1.24 121.76 123.89 2k5t s ALA 42 Ca -0.07 -1.75 -0.24 0.00 0.00 0.00 0.00 51.96 49.89 2k5t s ALA 42 Cb -0.15 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.50 2k5t s ALA 42 CO 0.04 -2.22 0.98 0.50 0.00 0.00 0.00 175.76 175.06 2k5t s ARG 43 N 3.03 3.31 -0.19 0.00 3.52 0.48 -0.52 118.95 128.57 2k5t s ARG 43 Ca 0.18 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.48 2k5t s ARG 43 Cb -0.19 -4.08 0.04 0.00 -1.56 0.00 0.00 34.95 29.16 2k5t s ARG 43 CO 0.12 -1.59 -0.11 0.12 -0.81 0.00 0.00 175.30 173.03 2k5t s PHE 44 N 4.14 2.44 -0.94 5.12 5.36 0.14 -2.64 117.98 131.59 2k5t s PHE 44 Ca 0.30 -1.58 -0.05 0.00 -0.96 0.00 0.00 56.93 54.64 2k5t s PHE 44 Cb -0.13 -1.66 -0.06 0.00 -0.34 0.00 0.00 43.02 40.83 2k5t s PHE 44 CO 0.18 -0.74 0.83 0.09 -1.46 0.00 0.00 175.22 174.12 2k5t n ASN 45 N 4.68 -6.21 -0.04 6.13 3.02 -1.26 -3.42 115.26 118.16 2k5t n ASN 45 Ca -0.15 -0.64 -0.00 0.00 -0.03 0.00 0.00 54.58 53.76 2k5t n ASN 45 Cb 0.47 -4.76 -0.00 0.00 -0.61 0.00 0.00 39.78 34.88 2k5t n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k5t n GLU 46 N -3.05 -1.20 -3.77 3.52 1.02 -1.26 -4.93 120.64 110.97 2k5t n GLU 46 Ca -0.06 0.33 -0.11 0.00 -0.02 0.00 0.00 57.16 57.29 2k5t n GLU 46 Cb 0.61 -4.24 -0.07 0.00 -0.02 0.00 0.00 31.44 27.72 2k5t n GLU 46 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2k5t s ARG 47 N -1.28 0.82 -0.40 3.49 1.70 -1.22 -5.11 118.95 116.95 2k5t s ARG 47 Ca 0.00 -0.59 -0.29 0.00 -0.47 0.00 0.00 55.73 54.38 2k5t s ARG 47 Cb 0.00 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2k5t s ARG 47 CO 0.00 -0.27 1.35 -0.51 -1.08 0.00 0.00 175.30 174.80 2k5t s LEU 48 N -2.22 3.65 -0.05 -1.89 1.43 -1.26 0.27 118.68 118.61 2k5t s LEU 48 Ca -0.03 0.85 0.17 0.00 -1.03 0.00 0.00 54.13 54.09 2k5t s LEU 48 Cb 0.00 -3.54 -0.21 0.00 0.03 0.00 0.00 46.19 42.46 2k5t s LEU 48 CO -0.05 -1.35 0.51 -0.11 0.23 0.00 0.00 176.35 175.59 2k5t n LEU 49 N 8.47 0.47 -3.98 1.79 7.94 0.32 -4.81 117.00 127.21 2k5t n LEU 49 Ca 0.16 0.21 -0.13 0.00 -1.11 0.00 0.00 56.01 55.14 2k5t n LEU 49 Cb 0.48 0.21 -0.13 0.00 0.53 0.00 0.00 43.42 44.51 2k5t n LEU 49 CO 0.69 0.27 -0.39 0.00 -1.11 0.00 0.00 177.39 176.86 2k5t s ALA 50 N -2.82 0.34 -0.07 1.96 0.00 -1.08 -1.23 121.76 118.85 2k5t s ALA 50 Ca -0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 2k5t s ALA 50 Cb 0.08 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.24 2k5t s ALA 50 CO 0.83 -0.00 -0.02 0.00 0.00 0.00 0.00 175.76 176.57 2k5t s ALA 51 N -0.75 0.79 -0.13 0.00 0.00 -0.10 0.22 121.76 121.80 2k5t s ALA 51 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2k5t s ALA 51 Cb -0.06 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.37 2k5t s ALA 51 CO -0.00 -0.38 -0.12 0.54 0.00 0.00 0.00 175.76 175.80 2k5t s VAL 52 N 1.75 1.39 -0.11 0.00 0.11 0.23 -1.56 120.40 122.20 2k5t s VAL 52 Ca 0.02 -0.53 -0.05 0.00 -2.93 0.00 0.00 61.98 58.49 2k5t s VAL 52 Cb -0.13 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 2k5t s VAL 52 CO -0.05 0.43 0.08 -0.13 -3.33 0.00 0.00 175.10 172.10 2k5t s ARG 53 N 1.45 3.32 -0.01 1.54 0.52 -1.05 -0.24 118.95 124.48 2k5t s ARG 53 Ca 0.03 -0.26 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2k5t s ARG 53 Cb -0.13 -3.04 0.01 0.00 0.52 0.00 0.00 34.95 32.31 2k5t s ARG 53 CO -0.08 0.70 -0.02 0.54 0.02 0.00 0.00 175.30 176.46 2k5t s VAL 54 N -0.83 0.21 -0.36 3.52 0.11 0.11 -0.79 120.40 122.38 2k5t s VAL 54 Ca 0.13 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.16 2k5t s VAL 54 Cb -0.12 -0.23 0.10 0.00 -1.53 0.00 0.00 36.38 34.60 2k5t s VAL 54 CO 0.03 0.10 0.09 -0.89 -3.33 0.00 0.00 175.10 171.09 2k5t s THR 55 N 0.37 2.58 0.66 5.04 2.01 0.17 0.05 115.64 126.52 2k5t s THR 55 Ca -0.03 -2.21 -0.11 0.00 0.31 0.00 0.00 61.69 59.64 2k5t s THR 55 Cb -0.06 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 2k5t s THR 55 CO -0.01 -0.59 1.05 -0.76 -0.69 0.00 0.00 174.62 173.62 2k5t s LEU 56 N 0.99 3.13 -0.46 4.42 1.43 0.12 -1.13 118.68 127.18 2k5t s LEU 56 Ca 0.09 1.42 0.06 0.00 -1.03 0.00 0.00 54.13 54.67 2k5t s LEU 56 Cb -0.20 -4.38 0.18 0.00 0.03 0.00 0.00 46.19 41.82 2k5t s LEU 56 CO -0.07 -1.13 0.58 -0.44 0.23 0.00 0.00 176.35 175.53 2k5t s SER 57 N -4.10 -0.53 1.45 2.29 0.01 0.15 -4.53 113.70 108.45 2k5t s SER 57 Ca 0.56 -1.79 0.00 0.00 1.31 0.00 0.00 55.95 56.03 2k5t s SER 57 Cb -0.12 1.27 0.00 0.00 0.21 0.00 0.00 66.02 67.38 2k5t s SER 57 CO 0.54 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.67 2k5t n GLY 58 N 3.39 3.15 0.03 3.44 0.00 -1.26 -2.23 105.19 111.72 2k5t n GLY 58 Ca 0.18 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -4.28 2.61 -2.24 -1.26 -4.75 114.28 104.36 2k5t n THR 59 Ca 0.00 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.53 2k5t n THR 59 Cb 0.00 -0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 67.85 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 -2.68 2.35 -0.23 -0.78 2.02 -0.95 -1.45 118.70 116.98 2k5t s GLU 60 Ca 0.24 -1.39 -0.05 0.00 0.02 0.00 0.00 54.97 53.78 2k5t s GLU 60 Cb 0.20 -2.20 0.12 0.00 0.10 0.00 0.00 34.13 32.35 2k5t s GLU 60 CO 0.50 0.37 0.46 0.20 0.02 0.00 0.00 175.26 176.81 2k5t s GLY 61 N -3.69 -0.49 -0.08 -1.39 0.00 0.38 0.34 107.32 102.38 2k5t s GLY 61 Ca 0.31 1.48 -0.08 0.00 0.00 0.00 0.00 44.72 46.44 2k5t s GLY 61 CO 0.20 2.67 0.19 0.00 0.00 0.00 0.00 173.10 176.16 2k5t s ALA 62 N 2.66 3.86 -0.12 3.20 0.00 -0.28 -0.38 121.76 130.69 2k5t s ALA 62 Ca 0.04 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.25 2k5t s ALA 62 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 2k5t s ALA 62 CO -0.15 0.61 0.41 -1.17 0.00 0.00 0.00 175.76 175.46 2k5t s LEU 63 N -1.17 4.28 -0.35 0.00 2.96 0.16 0.44 118.68 125.01 2k5t s LEU 63 Ca 0.18 0.72 0.04 0.00 -0.22 0.00 0.00 54.13 54.85 2k5t s LEU 63 Cb -0.13 -2.58 0.10 0.00 0.50 0.00 0.00 46.19 44.08 2k5t s LEU 63 CO 0.07 0.06 0.07 -0.62 -1.32 0.00 0.00 176.35 174.61 2k5t s ASP 64 N 0.45 4.71 0.02 3.68 2.15 0.03 -2.34 116.67 125.37 2k5t s ASP 64 Ca 0.23 -2.20 0.00 0.00 0.43 0.00 0.00 52.55 51.00 2k5t s ASP 64 Cb -0.14 -1.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 2k5t s ASP 64 CO 0.08 -0.37 0.00 -0.24 -0.17 0.00 0.00 175.17 174.47 2k5t n SER 65 N 4.19 -5.56 -4.25 -0.34 2.88 -1.26 -3.86 113.62 105.43 2k5t n SER 65 Ca 0.04 0.85 -0.33 0.00 -1.33 0.00 0.00 58.87 58.10 2k5t n SER 65 Cb 0.41 -2.99 -0.16 0.00 -0.75 0.00 0.00 64.21 60.73 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 -0.28 2.38 -0.18 2.46 2.96 -1.26 -2.51 118.68 122.25 2k5t s LEU 66 Ca 0.00 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2k5t s LEU 66 Cb 0.00 -1.53 0.08 0.00 0.50 0.00 0.00 46.19 45.24 2k5t s LEU 66 CO 0.00 0.10 0.19 -0.60 -1.32 0.00 0.00 176.35 174.71 2k5t s ARG 67 N 0.75 0.15 0.02 1.98 3.52 -0.60 -5.05 118.95 119.72 2k5t s ARG 67 Ca -0.07 0.17 -0.04 0.00 -0.13 0.00 0.00 55.73 55.66 2k5t s ARG 67 Cb -0.16 -1.26 -0.05 0.00 -1.56 0.00 0.00 34.95 31.93 2k5t s ARG 67 CO 0.01 -0.63 0.25 0.08 -0.81 0.00 0.00 175.30 174.20 2k5t s VAL 68 N 2.28 5.34 0.30 7.11 1.01 -1.26 -0.92 120.40 134.25 2k5t s VAL 68 Ca 0.05 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 2k5t s VAL 68 Cb -0.15 -3.57 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 2k5t s VAL 68 CO -0.11 0.29 1.47 -1.14 0.00 0.00 0.00 175.10 175.61 2k5t n ARG 69 N 0.85 2.39 0.08 2.72 0.63 -0.37 -4.83 116.66 118.13 2k5t n ARG 69 Ca -0.09 0.85 0.19 0.00 -0.92 0.00 0.00 57.85 57.87 2k5t n ARG 69 Cb 0.52 -2.55 0.74 0.00 0.45 0.00 0.00 32.46 31.62 2k5t n ARG 69 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2k5t h GLU 70 N 3.96 0.00 0.00 -0.14 3.07 -1.97 0.17 114.58 119.67 2k5t h GLU 70 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2k5t h GLU 70 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2k5t h GLU 70 CO 0.73 0.00 0.00 0.28 -1.40 0.00 0.00 179.01 178.62 2k5t n VAL 71 N -4.08 0.86 -0.15 3.13 0.31 -1.26 -2.37 118.33 114.77 2k5t n VAL 71 Ca 0.07 0.26 0.05 0.00 -0.01 0.00 0.00 64.34 64.71 2k5t n VAL 71 Cb 0.53 -1.18 0.26 0.00 -0.91 0.00 0.00 33.84 32.54 2k5t n VAL 71 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2k5t n THR 72 N -2.18 1.65 -1.77 2.52 -1.04 0.60 -4.91 114.28 109.13 2k5t n THR 72 Ca 0.02 -0.88 -0.42 0.00 -2.04 0.00 0.00 64.05 60.73 2k5t n THR 72 Cb 0.21 -0.25 -0.03 0.00 -1.82 0.00 0.00 70.33 68.44 2k5t n THR 72 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2k5t s ARG 73 N -2.04 4.10 -0.65 -2.82 3.52 -1.00 -3.13 118.95 116.93 2k5t s ARG 73 Ca 0.36 2.45 -0.01 0.00 -0.13 0.00 0.00 55.73 58.39 2k5t s ARG 73 Cb 0.26 -4.12 -0.01 0.00 -1.56 0.00 0.00 34.95 29.52 2k5t s ARG 73 CO 0.12 -0.98 0.60 0.54 -0.81 0.00 0.00 175.30 174.77 2k5t n ARG 74 N 7.49 -1.22 -2.71 5.12 1.74 -1.26 -5.02 116.66 120.79 2k5t n ARG 74 Ca 0.20 1.18 -0.07 0.00 -0.77 0.00 0.00 57.85 58.38 2k5t n ARG 74 Cb 0.42 -4.95 0.10 0.00 -1.02 0.00 0.00 32.46 27.00 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 -1.89 0.75 0.00 5.56 0.63 -1.18 -5.06 116.66 115.47 2k5t n ARG 75 Ca -0.01 -1.53 0.00 0.00 -0.92 0.00 0.00 57.85 55.39 2k5t n ARG 75 Cb 0.52 -0.68 0.00 0.00 0.45 0.00 0.00 32.46 32.75 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 0.32 0.90 0.32 5.14 0.00 -1.26 -4.63 105.19 105.98 2k5t n GLY 76 Ca 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 0.13 -0.25 1.61 2.07 -1.97 0.13 116.25 117.97 2k5t h VAL 77 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2k5t h VAL 77 Cb 0.00 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 2k5t h VAL 77 CO 0.00 0.00 0.03 1.23 0.02 0.00 0.00 177.57 178.85 2k5t h GLY 78 N -0.01 0.26 1.19 2.17 0.00 -1.88 0.28 103.07 105.08 2k5t h GLY 78 Ca 0.40 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.60 2k5t h GLY 78 CO -0.88 -0.02 -0.24 -1.61 0.00 0.00 0.00 176.54 173.78 2k5t h GLN 79 N 0.11 0.92 -0.40 4.80 4.15 -1.45 -2.78 115.11 120.47 2k5t h GLN 79 Ca 0.11 -0.40 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 2k5t h GLN 79 Cb 0.13 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2k5t h GLN 79 CO -0.17 1.05 0.23 -0.92 -1.93 0.00 0.00 178.83 177.10 2k5t h TYR 80 N 0.79 0.52 0.05 3.99 5.03 -0.65 -2.80 116.97 123.90 2k5t h TYR 80 Ca 0.10 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.43 2k5t h TYR 80 Cb 0.80 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.86 2k5t h TYR 80 CO 0.05 0.38 -0.43 -0.07 -1.32 0.00 0.00 178.16 176.77 2k5t h LEU 81 N 0.52 -1.28 -0.33 2.82 4.07 -0.23 0.15 115.31 121.02 2k5t h LEU 81 Ca 0.14 0.15 0.05 0.00 0.08 0.00 0.00 57.88 58.30 2k5t h LEU 81 Cb 0.01 0.49 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 2k5t h LEU 81 CO -0.03 -0.48 0.07 -0.07 -1.08 0.00 0.00 178.44 176.86 2k5t h LEU 82 N -0.61 0.03 -0.84 1.67 -0.00 -1.45 -0.43 115.31 113.68 2k5t h LEU 82 Ca 0.03 0.05 -0.12 0.00 -0.00 0.00 0.00 57.88 57.85 2k5t h LEU 82 Cb 0.67 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 2k5t h LEU 82 CO -0.29 0.05 -0.40 -0.33 -0.00 0.00 0.00 178.44 177.48 2k5t h GLU 83 N 0.19 0.38 -0.51 1.13 5.08 -1.25 -1.68 114.58 117.93 2k5t h GLU 83 Ca 0.16 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2k5t h GLU 83 Cb 0.17 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2k5t h GLU 83 CO -0.20 0.72 0.09 1.49 -1.00 0.00 0.00 179.01 180.11 2k5t h GLU 84 N 0.32 0.83 -0.11 2.33 4.57 -0.08 0.52 114.58 122.95 2k5t h GLU 84 Ca 0.03 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2k5t h GLU 84 Cb 0.84 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2k5t h GLU 84 CO 0.07 0.82 0.05 0.28 -1.18 0.00 0.00 179.01 179.05 2k5t h VAL 85 N 0.71 1.12 0.00 0.32 2.07 -0.83 0.41 116.25 120.06 2k5t h VAL 85 Ca 0.16 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2k5t h VAL 85 Cb 0.38 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2k5t h VAL 85 CO 0.01 0.11 -0.02 -0.07 0.02 0.00 0.00 177.57 177.62 2k5t h LEU 86 N 0.05 0.00 0.00 2.57 4.07 -1.20 -2.27 115.31 118.53 2k5t h LEU 86 Ca 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2k5t h LEU 86 Cb 0.13 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 2k5t h LEU 86 CO -0.00 0.02 -0.04 -0.09 -1.08 0.00 0.00 178.44 177.25 2k5t h ARG 87 N 0.00 0.00 0.00 1.13 2.43 -0.34 -3.37 114.38 114.23 2k5t h ARG 87 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k5t h ARG 87 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2k5t h ARG 87 CO 0.00 0.71 0.00 -0.97 -1.51 0.00 0.00 179.97 178.20 2k5t h ASN 88 N -1.00 0.00 -3.57 -3.80 -1.24 -0.83 -3.34 115.58 101.80 2k5t h ASN 88 Ca -0.01 0.00 -0.68 0.00 0.71 0.00 0.00 56.30 56.32 2k5t h ASN 88 Cb 0.72 0.00 -0.37 0.00 0.73 0.00 0.00 38.32 39.40 2k5t h ASN 88 CO -0.01 0.00 -0.29 0.20 -1.29 0.00 0.00 177.43 176.04 2k5t s ASN 89 N -5.61 5.46 0.00 1.15 0.01 -0.86 -4.90 114.94 110.18 2k5t s ASN 89 Ca 0.04 -3.49 0.29 0.00 -0.71 0.00 0.00 52.86 48.99 2k5t s ASN 89 Cb 0.08 -1.82 1.35 0.00 0.41 0.00 0.00 41.25 41.27 2k5t s ASN 89 CO 0.57 -0.21 1.92 -0.81 -1.51 0.00 0.00 177.10 177.05 2k5t n PRO 90 N 2.60 1.31 0.09 -0.60 -0.04 -1.26 -3.66 135.00 133.44 2k5t n PRO 90 Ca 0.17 -0.54 0.13 0.00 -0.04 0.00 0.00 63.50 63.21 2k5t n PRO 90 Cb 0.36 -1.49 0.32 0.00 -0.04 0.00 0.00 33.50 32.66 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 1.13 -1.61 3.63 0.55 0.00 -1.26 -4.75 105.19 102.88 2k5t n GLY 91 Ca 0.20 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.13 5.07 -0.13 1.61 1.01 -1.24 -4.73 120.40 118.87 2k5t s VAL 92 Ca 0.09 0.91 0.19 0.00 0.00 0.00 0.00 61.98 63.17 2k5t s VAL 92 Cb 0.13 -3.84 -0.24 0.00 0.00 0.00 0.00 36.38 32.43 2k5t s VAL 92 CO 0.64 0.10 0.41 -0.24 0.00 0.00 0.00 175.10 176.02 2k5t n SER 93 N 5.38 0.27 -4.07 3.32 2.88 -0.53 -4.28 113.62 116.60 2k5t n SER 93 Ca -0.04 0.12 -0.33 0.00 -1.33 0.00 0.00 58.87 57.30 2k5t n SER 93 Cb 0.50 0.99 -0.14 0.00 -0.75 0.00 0.00 64.21 64.80 2k5t n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k5t s TRP 95 N 1.05 3.18 -0.16 0.00 0.52 -0.90 -0.47 118.94 122.16 2k5t s TRP 95 Ca 0.01 -0.19 -0.08 0.00 0.02 0.00 0.00 56.10 55.86 2k5t s TRP 95 Cb -0.20 -2.83 -0.04 0.00 -1.15 0.00 0.00 33.47 29.25 2k5t s TRP 95 CO -0.06 -0.60 0.12 -0.46 0.02 0.00 0.00 176.95 175.98 2k5t s TRP 96 N 2.13 3.45 -0.40 -1.98 -0.11 0.49 -1.06 118.94 121.46 2k5t s TRP 96 Ca 0.13 0.36 -0.09 0.00 1.22 0.00 0.00 56.10 57.72 2k5t s TRP 96 Cb -0.17 -2.05 0.06 0.00 -1.50 0.00 0.00 33.47 29.82 2k5t s TRP 96 CO 0.13 0.45 0.22 -1.64 -4.62 0.00 0.00 176.95 171.49 2k5t s MET 97 N -0.21 2.63 0.15 5.86 -1.94 0.16 0.41 119.30 126.36 2k5t s MET 97 Ca 0.10 -1.35 -0.22 0.00 -1.71 0.00 0.00 55.69 52.51 2k5t s MET 97 Cb -0.12 -3.71 -0.08 0.00 2.01 0.00 0.00 34.83 32.94 2k5t s MET 97 CO 0.01 -0.86 0.70 0.00 -0.01 0.00 0.00 175.02 174.85 2k5t s ALA 98 N 1.44 3.48 -0.18 3.03 0.00 -0.99 -1.91 121.76 126.63 2k5t s ALA 98 Ca 0.02 0.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 2k5t s ALA 98 Cb -0.22 -2.82 -0.21 0.00 0.00 0.00 0.00 23.12 19.87 2k5t s ALA 98 CO 0.03 0.34 0.26 -0.40 0.00 0.00 0.00 175.76 175.98 2k5t n ASP 99 N 1.38 1.96 0.00 0.00 5.75 -1.26 -4.62 116.55 119.76 2k5t n ASP 99 Ca -0.06 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 2k5t n ASP 99 Cb 0.50 -0.93 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 2k5t n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k5t n ALA 100 N -3.29 0.00 -2.69 2.12 0.00 -1.26 -2.69 120.51 112.69 2k5t n ALA 100 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.11 2k5t n ALA 100 Cb 0.82 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.32 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 0.00 1.61 3.55 0.00 0.00 -1.26 -5.06 105.19 104.03 2k5t n GLY 101 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.12 4.18 -0.00 1.61 1.01 -1.10 -4.85 120.40 119.13 2k5t s VAL 102 Ca 0.23 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.85 2k5t s VAL 102 Cb 0.34 -4.64 -0.26 0.00 0.00 0.00 0.00 36.38 31.82 2k5t s VAL 102 CO -0.08 -1.24 0.83 -0.33 0.00 0.00 0.00 175.10 174.27 2k5t h GLU 103 N 9.44 0.17 -2.67 2.72 4.39 -1.97 -3.36 114.58 123.30 2k5t h GLU 103 Ca -0.25 -0.29 -0.53 0.00 0.34 0.00 0.00 59.36 58.63 2k5t h GLU 103 Cb 1.06 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2k5t h GLU 103 CO 1.14 0.98 2.49 -0.25 -1.16 0.00 0.00 179.01 182.21 2k5t n ASP 104 N -3.36 7.67 -0.25 1.42 9.92 -1.26 -4.64 116.55 126.06 2k5t n ASP 104 Ca -0.16 -2.58 -0.06 0.00 -0.53 0.00 0.00 54.79 51.47 2k5t n ASP 104 Cb 1.03 -1.51 0.05 0.00 -0.64 0.00 0.00 41.12 40.06 2k5t n ASP 104 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2k5t h ARG 105 N 4.36 0.95 0.25 -1.24 3.08 -1.99 -2.12 114.38 117.66 2k5t h ARG 105 Ca 0.66 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.61 2k5t h ARG 105 Cb 0.66 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2k5t h ARG 105 CO 1.30 0.68 -0.12 0.78 -1.07 0.00 0.00 179.97 181.54 2k5t h GLY 106 N 0.95 -0.35 0.78 0.04 0.00 -1.95 0.12 103.07 102.65 2k5t h GLY 106 Ca 0.25 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.75 2k5t h GLY 106 CO -0.05 -0.13 0.30 -2.08 0.00 0.00 0.00 176.54 174.59 2k5t h VAL 107 N -0.45 1.00 0.00 4.60 2.07 -1.93 -1.89 116.25 119.66 2k5t h VAL 107 Ca -0.03 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 2k5t h VAL 107 Cb 0.34 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2k5t h VAL 107 CO 0.06 0.11 -0.26 0.24 0.02 0.00 0.00 177.57 177.74 2k5t h MET 108 N 0.59 0.00 -0.26 1.57 2.07 -1.27 -2.22 114.93 115.40 2k5t h MET 108 Ca 0.23 0.00 -0.18 0.00 -2.07 0.00 0.00 59.70 57.68 2k5t h MET 108 Cb 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.82 2k5t h MET 108 CO -0.13 0.26 -0.56 1.15 1.07 0.00 0.00 176.91 178.69 2k5t h THR 109 N 0.00 1.28 -0.91 2.22 2.02 -0.18 0.25 112.91 117.59 2k5t h THR 109 Ca -0.00 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 2k5t h THR 109 Cb 0.97 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 2k5t h THR 109 CO 0.03 0.57 0.51 0.00 0.37 0.00 0.00 175.52 177.00 2k5t h ALA 110 N 0.73 1.19 0.29 6.16 0.00 -1.18 0.31 119.26 126.75 2k5t h ALA 110 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k5t h ALA 110 Cb 1.16 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2k5t h ALA 110 CO 0.12 0.66 -0.14 0.35 0.00 0.00 0.00 179.25 180.25 2k5t h PHE 111 N 1.26 -0.36 -0.47 0.00 3.57 -1.16 -1.92 116.94 117.87 2k5t h PHE 111 Ca 0.32 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.84 2k5t h PHE 111 Cb 0.01 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 2k5t h PHE 111 CO 0.01 -0.20 0.26 0.52 -2.23 0.00 0.00 178.31 176.66 2k5t h MET 112 N -0.41 0.49 -0.04 1.11 2.86 -0.10 -1.24 114.93 117.61 2k5t h MET 112 Ca -0.04 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2k5t h MET 112 Cb 0.31 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2k5t h MET 112 CO 0.06 0.33 -0.23 0.37 1.06 0.00 0.00 176.91 178.50 2k5t h GLN 113 N 0.51 0.06 0.00 1.72 4.15 -0.94 0.24 115.11 120.86 2k5t h GLN 113 Ca 0.20 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 2k5t h GLN 113 Cb 0.07 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2k5t h GLN 113 CO -0.12 0.29 -0.19 0.00 -1.93 0.00 0.00 178.83 176.89 2k5t h ALA 114 N 1.71 1.01 -0.33 3.38 0.00 -0.42 -2.28 119.26 122.33 2k5t h ALA 114 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k5t h ALA 114 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k5t h ALA 114 CO 0.03 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.80 2k5t n LEU 115 N -3.33 3.13 0.00 0.00 4.32 -0.46 -4.94 117.00 115.70 2k5t n LEU 115 Ca 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 56.01 54.67 2k5t n LEU 115 Cb 0.42 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 2k5t n LEU 115 CO 0.32 0.66 0.00 0.61 -1.22 0.00 0.00 177.39 177.77 2k5t n GLY 116 N 1.44 0.57 3.83 -0.72 0.00 -0.65 -5.04 105.19 104.61 2k5t n GLY 116 Ca 0.19 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 3.71 -0.13 1.61 0.08 0.73 -4.86 117.98 117.12 2k5t s PHE 117 Ca 0.00 1.06 -0.13 0.00 0.12 0.00 0.00 56.93 57.98 2k5t s PHE 117 Cb 0.00 -2.35 -0.05 0.00 -0.57 0.00 0.00 43.02 40.06 2k5t s PHE 117 CO 0.00 0.57 0.29 0.99 -0.10 0.00 0.00 175.22 176.97 2k5t s THR 118 N -1.20 5.29 -0.20 0.64 2.01 -0.02 -3.86 115.64 118.29 2k5t s THR 118 Ca 0.29 0.54 -0.13 0.00 0.31 0.00 0.00 61.69 62.70 2k5t s THR 118 Cb -0.17 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2k5t s THR 118 CO 0.17 0.44 0.26 0.28 -0.69 0.00 0.00 174.62 175.08 2k5t s THR 119 N 0.08 5.30 0.00 -0.82 -1.32 -1.26 0.16 115.64 117.77 2k5t s THR 119 Ca 0.17 0.44 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 2k5t s THR 119 Cb -0.13 -3.60 0.00 0.00 -1.51 0.00 0.00 72.50 67.26 2k5t s THR 119 CO 0.05 0.34 0.00 0.00 -2.21 0.00 0.00 174.62 172.80 2k5t n GLN 120 N 4.09 0.00 0.00 7.08 6.02 -1.09 -5.00 117.38 128.48 2k5t n GLN 120 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 2k5t n GLN 120 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 2k5t n GLN 120 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2k5t n GLN 121 N -2.09 3.29 -0.78 -1.09 6.02 -1.26 -4.93 117.38 116.55 2k5t n GLN 121 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 2k5t n GLN 121 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 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 5.00 2.81 0.00 1.08 0.00 -1.26 -4.72 105.19 108.10 2k5t n GLY 122 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 4.00 2.75 3.63 -0.02 0.00 -1.26 -4.68 105.19 109.60 2k5t n GLY 123 Ca 0.42 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 2k5t n GLY 123 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k5t s TRP 124 N -2.00 2.71 -0.02 1.61 0.51 -0.80 -2.67 118.94 118.28 2k5t s TRP 124 Ca 0.00 -0.20 -0.01 0.00 -2.12 0.00 0.00 56.10 53.76 2k5t s TRP 124 Cb 0.00 -1.26 0.01 0.00 -0.81 0.00 0.00 33.47 31.41 2k5t s TRP 124 CO 0.00 0.57 0.04 -2.00 -0.51 0.00 0.00 176.95 175.05 2k5t s GLU 125 N -3.26 0.04 -0.05 4.98 2.12 0.12 0.41 118.70 123.06 2k5t s GLU 125 Ca 0.29 0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.67 2k5t s GLU 125 Cb -0.08 0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.35 2k5t s GLU 125 CO 0.18 -0.02 0.01 0.21 -0.54 0.00 0.00 175.26 175.11 2k5t s LYS 126 N 0.09 0.39 0.32 4.30 2.20 -0.23 -0.85 119.74 125.97 2k5t s LYS 126 Ca -0.01 0.15 -0.28 0.00 -0.36 0.00 0.00 55.97 55.48 2k5t s LYS 126 Cb -0.01 -0.74 -0.09 0.00 -1.51 0.00 0.00 37.83 35.47 2k5t s LYS 126 CO -0.00 -0.26 1.09 0.00 -0.36 0.00 0.00 175.35 175.82