#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 3.65 -0.29 0.03 1.02 -1.26 -5.07 119.74 117.82 2k5t s LYS 2 Ca 0.00 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.18 2k5t s LYS 2 Cb 0.00 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 2k5t s LYS 2 CO 0.00 0.14 1.28 -1.17 -0.92 0.00 0.00 175.35 174.68 2k5t s LEU 3 N 0.65 3.92 -0.89 3.17 2.96 -1.26 -4.93 118.68 122.30 2k5t s LEU 3 Ca -0.01 1.25 -0.20 0.00 -0.22 0.00 0.00 54.13 54.94 2k5t s LEU 3 Cb -0.14 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.11 2k5t s LEU 3 CO 0.02 -1.03 1.14 -0.89 -1.32 0.00 0.00 176.35 174.28 2k5t s THR 4 N 4.22 4.53 -0.57 3.68 2.01 -0.49 -4.90 115.64 124.11 2k5t s THR 4 Ca 0.55 -1.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 2k5t s THR 4 Cb -0.17 -4.80 0.03 0.00 0.01 0.00 0.00 72.50 67.57 2k5t s THR 4 CO 0.21 -1.56 1.12 -0.51 -0.69 0.00 0.00 174.62 173.19 2k5t s ILE 5 N 3.30 4.12 0.05 1.82 1.10 -1.26 0.29 121.20 130.63 2k5t s ILE 5 Ca 0.32 0.71 -0.02 0.00 -0.51 0.00 0.00 60.65 61.16 2k5t s ILE 5 Cb -0.07 -4.67 -0.04 0.00 0.15 0.00 0.00 42.46 37.83 2k5t s ILE 5 CO -0.06 -1.28 0.23 -0.63 -2.11 0.00 0.00 174.94 171.10 2k5t s ILE 6 N 4.66 5.36 -0.05 2.00 1.01 0.11 -4.89 121.20 129.40 2k5t s ILE 6 Ca 0.39 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 2k5t s ILE 6 Cb -0.09 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2k5t s ILE 6 CO 0.23 0.18 0.31 0.00 0.00 0.00 0.00 174.94 175.67 2k5t s ARG 7 N -2.35 3.77 -1.23 2.79 1.70 -1.26 0.10 118.95 122.47 2k5t s ARG 7 Ca 0.34 0.22 -0.10 0.00 -0.47 0.00 0.00 55.73 55.71 2k5t s ARG 7 Cb -0.13 -3.22 -0.07 0.00 -0.57 0.00 0.00 34.95 30.97 2k5t s ARG 7 CO 0.25 0.70 2.41 1.28 -1.08 0.00 0.00 175.30 178.86 2k5t n LEU 8 N 1.94 6.48 -0.05 -1.89 7.99 0.22 -4.02 117.00 127.67 2k5t n LEU 8 Ca -0.16 -3.59 -0.07 0.00 -0.01 0.00 0.00 56.01 52.17 2k5t n LEU 8 Cb 0.53 -1.34 -0.14 0.00 -0.11 0.00 0.00 43.42 42.36 2k5t n LEU 8 CO 0.35 1.09 -0.77 1.21 -1.51 0.00 0.00 177.39 177.76 2k5t n GLU 9 N 4.58 0.66 -3.88 3.23 2.13 -1.26 -4.77 120.64 121.32 2k5t n GLU 9 Ca 0.59 0.14 -0.30 0.00 0.66 0.00 0.00 57.16 58.25 2k5t n GLU 9 Cb 0.23 -1.67 -0.16 0.00 0.27 0.00 0.00 31.44 30.12 2k5t n GLU 9 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2k5t s LYS 10 N -2.63 1.30 -0.40 5.31 1.02 -1.26 -5.10 119.74 117.98 2k5t s LYS 10 Ca -0.07 -1.02 -0.23 0.00 0.02 0.00 0.00 55.97 54.67 2k5t s LYS 10 Cb 0.07 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.93 2k5t s LYS 10 CO 0.83 -0.71 0.79 -0.06 -0.92 0.00 0.00 175.35 175.27 2k5t s PHE 11 N 1.45 3.05 0.35 3.18 0.40 -1.26 -5.04 117.98 120.11 2k5t s PHE 11 Ca -0.01 0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.68 2k5t s PHE 11 Cb -0.18 -3.53 -0.04 0.00 0.51 0.00 0.00 43.02 39.77 2k5t s PHE 11 CO -0.10 -0.85 0.59 0.45 0.70 0.00 0.00 175.22 176.01 2k5t s SER 12 N 1.98 6.35 0.10 1.36 0.15 -1.26 -5.00 113.70 117.39 2k5t s SER 12 Ca 0.31 0.64 -0.19 0.00 0.70 0.00 0.00 55.95 57.40 2k5t s SER 12 Cb -0.13 -2.11 -0.07 0.00 -1.71 0.00 0.00 66.02 62.00 2k5t s SER 12 CO 0.20 -0.31 1.65 -0.78 1.20 0.00 0.00 173.24 175.20 2k5t h ASP 13 N 1.00 0.33 -0.65 5.45 3.58 -1.99 -1.70 116.42 122.44 2k5t h ASP 13 Ca -0.48 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 56.76 2k5t h ASP 13 Cb 1.21 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.14 2k5t h ASP 13 CO 0.63 0.39 0.21 -0.61 -2.88 0.00 0.00 179.24 176.98 2k5t h GLN 14 N 0.24 1.00 -0.63 0.28 4.15 -1.99 -2.14 115.11 116.02 2k5t h GLN 14 Ca 0.08 -0.21 0.07 0.00 0.77 0.00 0.00 58.65 59.36 2k5t h GLN 14 Cb 0.16 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 27.65 2k5t h GLN 14 CO -0.01 0.87 0.31 -0.44 -1.93 0.00 0.00 178.83 177.64 2k5t h ASP 15 N 0.93 0.41 -0.91 -0.69 5.19 -1.92 0.20 116.42 119.64 2k5t h ASP 15 Ca 0.21 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 2k5t h ASP 15 Cb 0.28 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.72 2k5t h ASP 15 CO -0.01 0.26 0.58 0.03 -3.12 0.00 0.00 179.24 176.98 2k5t h ARG 16 N 0.56 1.22 0.09 3.56 3.08 -0.83 -1.03 114.38 121.02 2k5t h ARG 16 Ca 0.30 -0.09 -0.28 0.00 0.07 0.00 0.00 59.98 59.98 2k5t h ARG 16 Cb 0.27 -0.26 0.02 0.00 0.08 0.00 0.00 29.97 30.07 2k5t h ARG 16 CO -0.23 0.83 -1.17 0.82 -1.07 0.00 0.00 179.97 179.15 2k5t h ILE 17 N 1.25 1.36 -0.15 2.04 2.04 -0.65 -2.24 117.51 121.16 2k5t h ILE 17 Ca 0.33 -2.58 -0.10 0.00 1.00 0.00 0.00 64.86 63.50 2k5t h ILE 17 Cb -0.10 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2k5t h ILE 17 CO -0.07 0.77 -0.36 -0.78 0.00 0.00 0.00 178.15 177.71 2k5t h ASP 18 N 0.22 0.32 -0.50 1.72 3.58 -0.49 -1.18 116.42 120.09 2k5t h ASP 18 Ca -0.15 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.12 2k5t h ASP 18 Cb 1.84 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.78 2k5t h ASP 18 CO 0.21 0.66 0.13 -0.07 -2.88 0.00 0.00 179.24 177.29 2k5t h LEU 19 N 0.26 0.80 -1.95 2.28 3.38 -1.18 -1.46 115.31 117.45 2k5t h LEU 19 Ca 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2k5t h LEU 19 Cb 0.77 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2k5t h LEU 19 CO 0.06 0.79 -0.08 -0.61 0.09 0.00 0.00 178.44 178.69 2k5t h GLN 20 N 0.83 0.00 0.00 1.13 4.15 -0.62 0.88 115.11 121.48 2k5t h GLN 20 Ca 0.18 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.42 2k5t h GLN 20 Cb 0.31 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 2k5t h GLN 20 CO -0.00 0.08 -0.86 0.87 -1.93 0.00 0.00 178.83 176.99 2k5t h LYS 21 N 0.00 0.00 0.03 1.69 1.57 -0.28 -3.15 116.57 116.43 2k5t h LYS 21 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 2k5t h LYS 21 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.66 2k5t h LYS 21 CO 0.01 0.86 -1.02 0.82 -0.57 0.00 0.00 179.45 179.55 2k5t h ILE 22 N 0.00 1.41 -3.36 1.86 2.04 -0.31 -3.34 117.51 115.81 2k5t h ILE 22 Ca -0.01 -2.55 -0.71 0.00 1.00 0.00 0.00 64.86 62.58 2k5t h ILE 22 Cb 1.66 2.53 -0.35 0.00 -0.74 0.00 0.00 36.82 39.93 2k5t h ILE 22 CO 0.11 0.76 -0.06 0.26 0.00 0.00 0.00 178.15 179.22 2k5t s TRP 23 N -3.14 3.90 0.38 1.37 0.51 0.16 -4.94 118.94 117.17 2k5t s TRP 23 Ca -0.06 -2.97 0.26 0.00 -2.12 0.00 0.00 56.10 51.21 2k5t s TRP 23 Cb 0.08 -3.30 1.36 0.00 -0.81 0.00 0.00 33.47 30.80 2k5t s TRP 23 CO 0.88 -0.76 2.03 -1.35 -0.51 0.00 0.00 176.95 177.23 2k5t h PRO 24 N 6.15 0.00 -0.22 4.98 0.11 -1.68 -2.10 132.00 139.23 2k5t h PRO 24 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2k5t h PRO 24 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2k5t h PRO 24 CO 0.86 0.14 0.00 -1.91 -0.21 0.00 0.00 178.00 176.88 2k5t n GLU 25 N -3.62 2.02 -4.05 1.05 4.07 -1.26 -4.89 120.64 113.96 2k5t n GLU 25 Ca -0.02 -1.90 -0.33 0.00 -0.06 0.00 0.00 57.16 54.85 2k5t n GLU 25 Cb 0.27 -1.39 -0.15 0.00 -0.06 0.00 0.00 31.44 30.11 2k5t n GLU 25 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 2k5t s TYR 26 N -1.35 3.08 -0.11 4.31 6.14 -0.79 -5.07 117.35 123.56 2k5t s TYR 26 Ca 0.28 -1.92 -0.29 0.00 0.64 0.00 0.00 57.07 55.78 2k5t s TYR 26 Cb 0.17 -1.97 -0.06 0.00 0.42 0.00 0.00 41.96 40.53 2k5t s TYR 26 CO 0.24 -0.82 1.88 -1.12 0.64 0.00 0.00 175.55 176.37 2k5t s SER 27 N 1.22 6.22 -1.00 4.32 0.01 -1.26 -4.85 113.70 118.37 2k5t s SER 27 Ca -0.03 2.11 -0.26 0.00 1.31 0.00 0.00 55.95 59.08 2k5t s SER 27 Cb -0.17 -2.53 -0.15 0.00 0.21 0.00 0.00 66.02 63.38 2k5t s SER 27 CO -0.07 -1.31 2.14 -2.16 0.41 0.00 0.00 173.24 172.25 2k5t s PRO 28 N 4.91 1.70 0.00 12.44 0.04 -1.26 -4.48 135.00 148.35 2k5t s PRO 28 Ca 0.84 -0.29 0.09 0.00 0.04 0.00 0.00 61.00 61.68 2k5t s PRO 28 Cb -0.34 -4.98 0.05 0.00 0.04 0.00 0.00 34.50 29.27 2k5t s PRO 28 CO 0.35 -4.68 0.73 0.43 0.04 0.00 0.00 177.00 173.86 2k5t n SER 29 N 17.77 1.57 -0.02 6.66 7.64 -1.26 -4.47 113.62 141.50 2k5t n SER 29 Ca 0.43 -1.28 0.08 0.00 1.01 0.00 0.00 58.87 59.11 2k5t n SER 29 Cb 0.46 0.16 0.49 0.00 -1.01 0.00 0.00 64.21 64.31 2k5t n SER 29 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k5t n SER 30 N 0.26 0.07 0.00 6.43 3.41 -1.26 -3.75 113.62 118.78 2k5t n SER 30 Ca 0.05 -1.48 0.04 0.00 -0.26 0.00 0.00 58.87 57.21 2k5t n SER 30 Cb 0.22 -0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.72 0.00 -4.51 1.04 4.77 -1.26 -4.58 117.00 111.73 2k5t n LEU 31 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 2k5t n LEU 31 Cb 0.07 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2k5t n LEU 31 CO 0.10 0.00 1.06 -1.10 -1.33 0.00 0.00 177.39 176.11 2k5t s GLN 32 N -2.00 3.23 -0.05 3.23 -0.21 -1.25 -5.00 119.66 117.61 2k5t s GLN 32 Ca 0.11 -0.61 -0.16 0.00 0.02 0.00 0.00 55.36 54.72 2k5t s GLN 32 Cb 0.05 -4.36 -0.05 0.00 1.00 0.00 0.00 33.01 29.65 2k5t s GLN 32 CO 0.08 -2.03 0.42 0.54 -2.12 0.00 0.00 175.29 172.18 2k5t s VAL 33 N 4.95 5.10 0.40 1.09 0.11 -1.26 -4.97 120.40 125.82 2k5t s VAL 33 Ca 0.32 0.85 0.04 0.00 -2.93 0.00 0.00 61.98 60.26 2k5t s VAL 33 Cb -0.10 -3.74 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 2k5t s VAL 33 CO 0.09 0.48 0.16 -0.90 -3.33 0.00 0.00 175.10 171.61 2k5t n ASP 34 N 2.59 1.00 0.27 3.54 5.75 -0.91 -5.01 116.55 123.78 2k5t n ASP 34 Ca -0.12 -3.18 0.14 0.00 -0.01 0.00 0.00 54.79 51.62 2k5t n ASP 34 Cb 0.52 1.11 0.74 0.00 -1.03 0.00 0.00 41.12 42.45 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 1.68 0.00 0.00 -1.12 3.32 -1.98 -3.13 116.42 115.19 2k5t h ASP 35 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2k5t h ASP 35 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2k5t h ASP 35 CO 0.49 0.11 -0.22 0.78 -1.72 0.00 0.00 179.24 178.67 2k5t h ASN 36 N 0.00 0.00 -2.56 6.45 2.35 -1.93 -3.38 115.58 116.51 2k5t h ASN 36 Ca -0.00 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.08 2k5t h ASN 36 Cb 0.37 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.58 2k5t h ASN 36 CO 0.01 0.49 0.65 -1.00 -1.65 0.00 0.00 177.43 175.94 2k5t s HIS 37 N -1.73 2.95 -0.08 1.19 3.76 -1.18 -0.07 115.29 120.13 2k5t s HIS 37 Ca -0.06 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 53.80 2k5t s HIS 37 Cb 0.01 -4.25 -0.03 0.00 1.11 0.00 0.00 32.58 29.42 2k5t s HIS 37 CO 0.10 -1.52 -0.06 1.03 -0.85 0.00 0.00 174.74 173.43 2k5t s ARG 38 N 3.15 2.84 -0.13 1.40 0.52 0.01 -2.14 118.95 124.60 2k5t s ARG 38 Ca 0.27 -0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 2k5t s ARG 38 Cb -0.11 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 2k5t s ARG 38 CO -0.01 0.63 0.00 0.42 0.02 0.00 0.00 175.30 176.36 2k5t s ILE 39 N -0.71 4.27 -0.02 1.52 1.01 -1.26 -0.78 121.20 125.24 2k5t s ILE 39 Ca 0.11 -0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.59 2k5t s ILE 39 Cb -0.11 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 2k5t s ILE 39 CO 0.02 0.54 -0.24 -0.31 0.00 0.00 0.00 174.94 174.95 2k5t s TYR 40 N -0.24 2.40 -0.09 3.97 1.51 0.37 -0.61 117.35 124.66 2k5t s TYR 40 Ca 0.06 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2k5t s TYR 40 Cb -0.12 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2k5t s TYR 40 CO 0.02 0.02 -0.09 0.00 -1.11 0.00 0.00 175.55 174.38 2k5t s ALA 41 N -0.65 1.30 -0.54 3.71 0.00 0.11 -1.24 121.76 124.45 2k5t s ALA 41 Ca 0.10 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.37 2k5t s ALA 41 Cb -0.10 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 22.31 2k5t s ALA 41 CO -0.00 -0.20 0.74 0.00 0.00 0.00 0.00 175.76 176.29 2k5t s ALA 42 N 1.28 3.31 -0.20 0.00 0.00 0.13 0.07 121.76 126.35 2k5t s ALA 42 Ca -0.03 -1.72 -0.23 0.00 0.00 0.00 0.00 51.96 49.98 2k5t s ALA 42 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2k5t s ALA 42 CO -0.04 -2.22 0.71 0.50 0.00 0.00 0.00 175.76 174.72 2k5t s ARG 43 N 3.07 4.22 -0.03 0.00 6.06 0.15 0.37 118.95 132.78 2k5t s ARG 43 Ca 0.18 0.77 -0.01 0.00 -2.50 0.00 0.00 55.73 54.17 2k5t s ARG 43 Cb -0.18 -3.59 0.03 0.00 0.06 0.00 0.00 34.95 31.27 2k5t s ARG 43 CO 0.12 -0.32 0.05 0.12 -2.50 0.00 0.00 175.30 172.78 2k5t s PHE 44 N 2.15 0.03 -1.35 5.12 5.36 0.14 -1.40 117.98 128.03 2k5t s PHE 44 Ca 0.32 0.23 -0.05 0.00 -0.96 0.00 0.00 56.93 56.46 2k5t s PHE 44 Cb -0.16 -0.34 0.01 0.00 -0.34 0.00 0.00 43.02 42.18 2k5t s PHE 44 CO 0.10 -0.15 0.70 -1.71 -1.46 0.00 0.00 175.22 172.71 2k5t n ASN 45 N 4.75 -5.78 -0.88 6.13 5.15 -1.26 -1.72 115.26 121.65 2k5t n ASN 45 Ca -0.15 -0.32 -0.11 0.00 -0.60 0.00 0.00 54.58 53.39 2k5t n ASN 45 Cb 0.50 -4.55 -0.05 0.00 -0.53 0.00 0.00 39.78 35.16 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 -3.95 -1.00 -4.19 1.20 2.13 -1.26 -4.98 120.64 108.58 2k5t n GLU 46 Ca -0.07 0.88 -0.16 0.00 0.66 0.00 0.00 57.16 58.46 2k5t n GLU 46 Cb 0.59 -4.94 -0.13 0.00 0.27 0.00 0.00 31.44 27.24 2k5t n GLU 46 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2k5t s ARG 47 N -2.86 0.66 -0.70 5.31 3.52 -0.70 -5.09 118.95 119.08 2k5t s ARG 47 Ca 0.00 -0.64 -0.27 0.00 -0.13 0.00 0.00 55.73 54.69 2k5t s ARG 47 Cb 0.00 -0.57 0.03 0.00 -1.56 0.00 0.00 34.95 32.85 2k5t s ARG 47 CO 0.00 0.13 1.27 -0.51 -0.81 0.00 0.00 175.30 175.38 2k5t s LEU 48 N -1.10 3.23 0.35 -0.88 1.43 -1.26 0.29 118.68 120.73 2k5t s LEU 48 Ca -0.03 -0.31 0.20 0.00 -1.03 0.00 0.00 54.13 52.97 2k5t s LEU 48 Cb -0.07 -2.70 0.19 0.00 0.03 0.00 0.00 46.19 43.64 2k5t s LEU 48 CO 0.01 -1.76 1.45 0.25 0.23 0.00 0.00 176.35 176.53 2k5t h LEU 49 N 12.81 0.00 -7.70 1.79 5.85 -0.36 -3.45 115.31 124.25 2k5t h LEU 49 Ca -0.27 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.23 2k5t h LEU 49 Cb 1.05 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 41.81 2k5t h LEU 49 CO 1.26 0.17 -0.67 0.00 -0.34 0.00 0.00 178.44 178.86 2k5t s ALA 50 N -3.14 -0.09 -0.11 1.25 0.00 -1.08 0.17 121.76 118.76 2k5t s ALA 50 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2k5t s ALA 50 Cb 0.06 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2k5t s ALA 50 CO 0.71 -0.02 -0.10 0.00 0.00 0.00 0.00 175.76 176.35 2k5t s ALA 51 N -0.02 1.40 -0.02 0.00 0.00 -0.46 0.19 121.76 122.85 2k5t s ALA 51 Ca -0.00 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2k5t s ALA 51 Cb -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.27 2k5t s ALA 51 CO 0.00 -0.28 -0.09 0.54 0.00 0.00 0.00 175.76 175.93 2k5t s VAL 52 N 1.42 0.75 -0.15 0.00 0.11 -0.38 -1.15 120.40 121.01 2k5t s VAL 52 Ca 0.00 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 58.69 2k5t s VAL 52 Cb -0.13 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 2k5t s VAL 52 CO -0.06 0.23 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.74 2k5t s ARG 53 N 0.19 3.55 -0.02 1.54 0.52 -1.07 -0.48 118.95 123.18 2k5t s ARG 53 Ca -0.03 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 2k5t s ARG 53 Cb -0.08 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 2k5t s ARG 53 CO 0.00 0.23 -0.16 0.54 0.02 0.00 0.00 175.30 175.93 2k5t s VAL 54 N 0.37 1.30 -0.44 3.52 0.11 0.04 -0.45 120.40 124.84 2k5t s VAL 54 Ca -0.07 -0.70 -0.08 0.00 -2.93 0.00 0.00 61.98 58.21 2k5t s VAL 54 Cb -0.15 -1.08 0.10 0.00 -1.53 0.00 0.00 36.38 33.72 2k5t s VAL 54 CO 0.04 0.37 0.28 -0.89 -3.33 0.00 0.00 175.10 171.57 2k5t s THR 55 N -0.34 3.99 -0.99 5.04 2.01 0.17 -0.81 115.64 124.71 2k5t s THR 55 Ca 0.05 -1.72 -0.23 0.00 0.31 0.00 0.00 61.69 60.10 2k5t s THR 55 Cb -0.07 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 68.90 2k5t s THR 55 CO -0.00 -0.66 1.44 -0.76 -0.69 0.00 0.00 174.62 173.94 2k5t s LEU 56 N 1.33 3.46 -0.53 4.42 1.43 0.89 -2.07 118.68 127.62 2k5t s LEU 56 Ca 0.05 -1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 51.69 2k5t s LEU 56 Cb -0.24 -2.57 0.13 0.00 0.03 0.00 0.00 46.19 43.54 2k5t s LEU 56 CO -0.01 -1.56 0.44 -0.55 0.23 0.00 0.00 176.35 174.91 2k5t s SER 57 N 4.88 5.97 1.48 2.29 0.15 0.08 -4.22 113.70 124.33 2k5t s SER 57 Ca 0.45 -1.93 0.00 0.00 0.70 0.00 0.00 55.95 55.17 2k5t s SER 57 Cb -0.01 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2k5t s SER 57 CO -0.07 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.22 2k5t n GLY 58 N 4.97 0.93 0.67 9.45 0.00 -1.26 -0.42 105.19 119.52 2k5t n GLY 58 Ca -0.09 0.46 0.08 0.00 0.00 0.00 0.00 46.02 46.47 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 0.24 -3.72 2.61 -2.24 -1.26 -4.88 114.28 105.03 2k5t n THR 59 Ca 0.00 -0.62 -0.37 0.00 -2.27 0.00 0.00 64.05 60.79 2k5t n THR 59 Cb 0.00 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.20 3.87 -0.99 -0.78 2.02 0.44 -2.57 118.70 119.49 2k5t s GLU 60 Ca 0.21 -0.37 -0.14 0.00 0.02 0.00 0.00 54.97 54.69 2k5t s GLU 60 Cb 0.14 -3.46 0.21 0.00 0.10 0.00 0.00 34.13 31.11 2k5t s GLU 60 CO 0.20 -0.08 1.05 0.20 0.02 0.00 0.00 175.26 176.65 2k5t s GLY 61 N 1.40 2.61 -0.15 -1.39 0.00 0.15 -0.74 107.32 109.20 2k5t s GLY 61 Ca 0.06 -3.35 -0.17 0.00 0.00 0.00 0.00 44.72 41.26 2k5t s GLY 61 CO 0.06 1.58 0.44 0.00 0.00 0.00 0.00 173.10 175.18 2k5t s ALA 62 N 0.58 3.51 -0.24 3.20 0.00 -0.88 -0.88 121.76 127.05 2k5t s ALA 62 Ca 0.29 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 2k5t s ALA 62 Cb -0.08 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 2k5t s ALA 62 CO -0.07 -0.08 0.46 -1.17 0.00 0.00 0.00 175.76 174.89 2k5t s LEU 63 N 0.82 4.08 -0.50 0.00 2.96 0.13 0.45 118.68 126.63 2k5t s LEU 63 Ca 0.23 0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 54.60 2k5t s LEU 63 Cb -0.15 -2.58 0.13 0.00 0.50 0.00 0.00 46.19 44.10 2k5t s LEU 63 CO 0.09 -0.20 0.29 -0.62 -1.32 0.00 0.00 176.35 174.59 2k5t s ASP 64 N 1.41 5.18 0.18 3.68 2.15 0.40 -2.14 116.67 127.54 2k5t s ASP 64 Ca 0.20 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 50.77 2k5t s ASP 64 Cb -0.15 -1.82 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 2k5t s ASP 64 CO 0.09 -0.46 0.00 -1.54 -0.17 0.00 0.00 175.17 173.10 2k5t n SER 65 N 4.08 -5.88 -4.06 -0.34 3.41 -1.17 -3.99 113.62 105.66 2k5t n SER 65 Ca 0.02 0.71 -0.30 0.00 -0.26 0.00 0.00 58.87 59.04 2k5t n SER 65 Cb 0.39 -2.39 -0.16 0.00 -0.26 0.00 0.00 64.21 61.79 2k5t n SER 65 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2k5t s LEU 66 N -1.26 1.79 -0.36 1.04 2.96 -1.26 -2.61 118.68 118.97 2k5t s LEU 66 Ca 0.00 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2k5t s LEU 66 Cb 0.00 -1.21 0.11 0.00 0.50 0.00 0.00 46.19 45.60 2k5t s LEU 66 CO 0.00 -0.01 0.14 -0.13 -1.32 0.00 0.00 176.35 175.04 2k5t s ARG 67 N 1.20 1.00 0.18 1.98 0.52 -0.30 -4.98 118.95 118.55 2k5t s ARG 67 Ca -0.01 -1.50 -0.21 0.00 -0.52 0.00 0.00 55.73 53.50 2k5t s ARG 67 Cb -0.14 -2.25 -0.08 0.00 0.52 0.00 0.00 34.95 33.00 2k5t s ARG 67 CO -0.06 -1.05 0.70 0.08 0.02 0.00 0.00 175.30 174.99 2k5t s VAL 68 N 1.08 4.57 0.37 3.52 1.01 -1.26 -1.36 120.40 128.32 2k5t s VAL 68 Ca 0.13 1.34 -0.28 0.00 0.00 0.00 0.00 61.98 63.17 2k5t s VAL 68 Cb -0.20 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 2k5t s VAL 68 CO -0.14 0.33 1.46 -0.60 0.00 0.00 0.00 175.10 176.16 2k5t s ARG 69 N -1.66 4.15 0.51 2.72 3.52 0.13 -4.84 118.95 123.47 2k5t s ARG 69 Ca 0.39 2.52 0.32 0.00 -0.13 0.00 0.00 55.73 58.83 2k5t s ARG 69 Cb -0.18 -2.99 1.72 0.00 -1.56 0.00 0.00 34.95 31.94 2k5t s ARG 69 CO 0.22 -0.49 1.96 1.49 -0.81 0.00 0.00 175.30 177.67 2k5t h GLU 70 N 3.13 0.00 0.00 5.12 4.81 -1.95 -0.01 114.58 125.68 2k5t h GLU 70 Ca -0.50 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2k5t h GLU 70 Cb 1.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2k5t h GLU 70 CO 0.65 0.00 -0.04 0.28 -0.73 0.00 0.00 179.01 179.17 2k5t h VAL 71 N 0.00 0.13 -0.58 0.32 2.07 -1.92 -3.06 116.25 113.22 2k5t h VAL 71 Ca 0.00 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2k5t h VAL 71 Cb 0.12 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2k5t h VAL 71 CO 0.00 0.04 0.26 0.74 0.02 0.00 0.00 177.57 178.63 2k5t h THR 72 N 0.00 1.22 -6.49 2.57 2.02 -1.32 -3.47 112.91 107.44 2k5t h THR 72 Ca -0.00 -0.63 -0.50 0.00 0.77 0.00 0.00 66.41 66.05 2k5t h THR 72 Cb 0.38 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 2k5t h THR 72 CO 0.00 0.25 -0.87 -1.14 0.37 0.00 0.00 175.52 174.14 2k5t n ARG 73 N -4.52 -3.55 -3.30 6.66 0.63 -1.16 -3.15 116.66 108.27 2k5t n ARG 73 Ca 0.03 0.43 -0.11 0.00 -0.92 0.00 0.00 57.85 57.28 2k5t n ARG 73 Cb 0.14 -4.73 0.02 0.00 0.45 0.00 0.00 32.46 28.34 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 -4.41 -1.49 -3.17 -0.14 1.74 -1.26 -4.99 116.66 102.93 2k5t n ARG 74 Ca -0.23 1.12 -0.21 0.00 -0.77 0.00 0.00 57.85 57.76 2k5t n ARG 74 Cb 0.65 -4.96 -0.06 0.00 -1.02 0.00 0.00 32.46 27.07 2k5t n ARG 74 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k5t n ARG 75 N -2.51 0.48 0.00 5.56 1.74 -1.19 -5.00 116.66 115.74 2k5t n ARG 75 Ca -0.08 -2.90 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 2k5t n ARG 75 Cb 0.57 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 2k5t n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k5t n GLY 76 N 2.21 1.27 0.23 -0.13 0.00 -1.26 -4.73 105.19 102.78 2k5t n GLY 76 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.51 -0.62 1.61 2.07 -1.94 -0.96 116.25 116.92 2k5t h VAL 77 Ca 0.00 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2k5t h VAL 77 Cb 0.00 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 2k5t h VAL 77 CO 0.00 0.02 0.37 1.23 0.02 0.00 0.00 177.57 179.21 2k5t h GLY 78 N 0.11 0.89 0.52 2.17 0.00 -1.99 0.16 103.07 104.93 2k5t h GLY 78 Ca 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2k5t h GLY 78 CO -0.51 0.22 -0.38 1.46 0.00 0.00 0.00 176.54 177.33 2k5t h GLN 79 N 0.72 -0.69 -0.43 4.80 4.20 -1.60 -2.77 115.11 119.34 2k5t h GLN 79 Ca 0.26 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 2k5t h GLN 79 Cb 0.06 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2k5t h GLN 79 CO -0.12 -0.46 0.27 -0.92 -0.67 0.00 0.00 178.83 176.92 2k5t h TYR 80 N -0.72 0.55 0.24 2.96 5.03 -1.01 -2.82 116.97 121.21 2k5t h TYR 80 Ca -0.01 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.31 2k5t h TYR 80 Cb 0.67 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.74 2k5t h TYR 80 CO -0.25 0.38 -0.41 1.25 -1.32 0.00 0.00 178.16 177.81 2k5t h LEU 81 N 0.57 -1.16 -0.36 2.82 5.85 -0.58 0.11 115.31 122.55 2k5t h LEU 81 Ca 0.15 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2k5t h LEU 81 Cb -0.02 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2k5t h LEU 81 CO -0.03 -0.51 0.17 -0.07 -0.34 0.00 0.00 178.44 177.65 2k5t h LEU 82 N -0.72 0.48 -1.18 2.25 -0.00 -1.49 -0.94 115.31 113.70 2k5t h LEU 82 Ca -0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2k5t h LEU 82 Cb 0.70 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.20 2k5t h LEU 82 CO -0.16 0.48 0.50 -0.33 -0.00 0.00 0.00 178.44 178.92 2k5t h GLU 83 N 0.44 1.05 -0.38 1.13 5.08 -1.31 -1.41 114.58 119.18 2k5t h GLU 83 Ca 0.12 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 2k5t h GLU 83 Cb 0.13 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2k5t h GLU 83 CO -0.01 0.72 -0.34 1.49 -1.00 0.00 0.00 179.01 179.86 2k5t h GLU 84 N 1.08 0.88 -0.66 2.33 4.57 -0.52 -1.55 114.58 120.70 2k5t h GLU 84 Ca 0.29 -0.43 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 2k5t h GLU 84 Cb -0.08 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 2k5t h GLU 84 CO -0.06 1.08 0.33 0.28 -1.18 0.00 0.00 179.01 179.46 2k5t h VAL 85 N 0.73 1.22 0.00 0.32 2.07 -0.62 0.30 116.25 120.28 2k5t h VAL 85 Ca 0.07 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2k5t h VAL 85 Cb 0.91 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2k5t h VAL 85 CO 0.08 0.25 0.00 -0.07 0.02 0.00 0.00 177.57 177.86 2k5t h LEU 86 N 0.92 0.00 0.14 2.57 4.07 -1.07 0.12 115.31 122.05 2k5t h LEU 86 Ca 0.23 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.86 2k5t h LEU 86 Cb 0.10 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 2k5t h LEU 86 CO -0.03 0.00 -1.68 -0.09 -1.08 0.00 0.00 178.44 175.56 2k5t h ARG 87 N 0.00 0.30 -0.38 1.13 2.43 -0.26 -3.21 114.38 114.39 2k5t h ARG 87 Ca 0.00 -0.51 -0.06 0.00 -0.81 0.00 0.00 59.98 58.60 2k5t h ARG 87 Cb 0.43 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2k5t h ARG 87 CO 0.00 1.18 0.02 -0.97 -1.51 0.00 0.00 179.97 178.68 2k5t h ASN 88 N 0.08 0.64 -2.88 -3.80 -0.00 0.21 -3.34 115.58 106.48 2k5t h ASN 88 Ca -0.30 -0.30 -0.62 0.00 -0.00 0.00 0.00 56.30 55.08 2k5t h ASN 88 Cb 2.05 -0.17 -0.42 0.00 -0.00 0.00 0.00 38.32 39.78 2k5t h ASN 88 CO 0.16 0.78 -0.58 0.59 -0.00 0.00 0.00 177.43 178.37 2k5t n ASN 89 N -4.49 3.16 -0.40 1.15 5.03 0.35 -4.89 115.26 115.17 2k5t n ASN 89 Ca -0.01 -3.26 0.14 0.00 0.87 0.00 0.00 54.58 52.32 2k5t n ASN 89 Cb 0.27 -0.74 0.55 0.00 -1.02 0.00 0.00 39.78 38.84 2k5t n ASN 89 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2k5t n PRO 90 N 1.71 1.48 0.00 3.52 -0.04 -1.21 -4.19 135.00 136.27 2k5t n PRO 90 Ca 0.22 -0.81 -0.13 0.00 -0.04 0.00 0.00 63.50 62.75 2k5t n PRO 90 Cb 0.36 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 2k5t n PRO 90 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2k5t h GLY 91 N 4.88 -0.03 -5.38 0.55 0.00 -1.90 -3.42 103.07 97.77 2k5t h GLY 91 Ca 0.00 0.01 -0.54 0.00 0.00 0.00 0.00 47.33 46.80 2k5t h GLY 91 CO 0.00 -0.01 1.20 -1.34 0.00 0.00 0.00 176.54 176.39 2k5t s VAL 92 N -4.50 3.17 -0.31 4.60 -7.23 -1.26 -4.87 120.40 110.00 2k5t s VAL 92 Ca -0.15 0.20 0.23 0.00 -1.81 0.00 0.00 61.98 60.45 2k5t s VAL 92 Cb 0.02 -3.13 -0.07 0.00 0.56 0.00 0.00 36.38 33.76 2k5t s VAL 92 CO 0.66 -0.02 0.99 -1.20 -0.31 0.00 0.00 175.10 175.22 2k5t n SER 93 N 7.56 0.67 -4.17 4.85 7.64 -1.19 -4.70 113.62 124.27 2k5t n SER 93 Ca 0.19 0.16 -0.39 0.00 1.01 0.00 0.00 58.87 59.85 2k5t n SER 93 Cb 0.42 0.71 -0.09 0.00 -1.01 0.00 0.00 64.21 64.23 2k5t n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k5t s TRP 95 N 1.09 3.52 -0.09 0.00 0.52 -0.80 0.33 118.94 123.51 2k5t s TRP 95 Ca 0.08 0.69 0.02 0.00 0.02 0.00 0.00 56.10 56.91 2k5t s TRP 95 Cb -0.24 -2.34 0.01 0.00 -1.15 0.00 0.00 33.47 29.75 2k5t s TRP 95 CO -0.03 0.32 -0.13 -0.46 0.02 0.00 0.00 176.95 176.67 2k5t s TRP 96 N 0.18 1.64 -0.35 -1.98 -0.11 -0.06 -0.86 118.94 117.40 2k5t s TRP 96 Ca 0.19 -0.69 -0.09 0.00 1.22 0.00 0.00 56.10 56.73 2k5t s TRP 96 Cb -0.14 -1.21 0.03 0.00 -1.50 0.00 0.00 33.47 30.65 2k5t s TRP 96 CO 0.06 -0.37 0.15 -1.64 -4.62 0.00 0.00 176.95 170.52 2k5t s MET 97 N 0.91 2.80 0.29 5.86 -1.94 0.81 0.19 119.30 128.22 2k5t s MET 97 Ca -0.09 -1.07 -0.05 0.00 -1.71 0.00 0.00 55.69 52.76 2k5t s MET 97 Cb -0.15 -3.57 -0.05 0.00 2.01 0.00 0.00 34.83 33.07 2k5t s MET 97 CO 0.01 -0.64 0.56 0.00 -0.01 0.00 0.00 175.02 174.94 2k5t s ALA 98 N 1.49 3.61 -2.68 3.03 0.00 -0.91 -2.25 121.76 124.04 2k5t s ALA 98 Ca 0.01 -0.53 0.24 0.00 0.00 0.00 0.00 51.96 51.68 2k5t s ALA 98 Cb -0.19 -2.32 0.25 0.00 0.00 0.00 0.00 23.12 20.86 2k5t s ALA 98 CO 0.05 0.26 1.28 -0.40 0.00 0.00 0.00 175.76 176.94 2k5t n ASP 99 N -0.89 2.56 -4.71 0.00 5.75 -1.26 -4.55 116.55 113.46 2k5t n ASP 99 Ca -0.01 -1.80 -0.42 0.00 -0.01 0.00 0.00 54.79 52.54 2k5t n ASP 99 Cb 0.54 0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 2k5t n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k5t s ALA 100 N -2.13 3.73 0.00 2.12 0.00 -1.26 -1.41 121.76 122.81 2k5t s ALA 100 Ca 0.27 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2k5t s ALA 100 Cb 0.20 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2k5t s ALA 100 CO 0.37 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2k5t n GLY 101 N 3.86 0.80 3.14 0.00 0.00 -1.26 -3.06 105.19 108.66 2k5t n GLY 101 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.04 2.56 0.07 1.61 1.01 -0.50 -4.81 120.40 117.29 2k5t s VAL 102 Ca 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 61.98 60.61 2k5t s VAL 102 Cb 0.00 -2.40 -0.28 0.00 0.00 0.00 0.00 36.38 33.70 2k5t s VAL 102 CO 0.00 0.08 1.11 -0.33 0.00 0.00 0.00 175.10 175.96 2k5t h GLU 103 N 7.91 0.26 -2.84 2.72 4.39 -1.96 -3.37 114.58 121.70 2k5t h GLU 103 Ca -0.26 -0.44 -0.73 0.00 0.34 0.00 0.00 59.36 58.27 2k5t h GLU 103 Cb 1.07 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 29.80 2k5t h GLU 103 CO 0.53 1.20 2.70 -0.25 -1.16 0.00 0.00 179.01 182.02 2k5t n ASP 104 N -3.51 7.73 -0.28 1.42 9.92 -1.26 -4.68 116.55 125.88 2k5t n ASP 104 Ca -0.09 -3.01 -0.06 0.00 -0.53 0.00 0.00 54.79 51.10 2k5t n ASP 104 Cb 1.02 -1.42 0.06 0.00 -0.64 0.00 0.00 41.12 40.14 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 4.86 1.16 -0.46 -1.24 3.08 -1.95 -1.14 114.38 118.70 2k5t h ARG 105 Ca 0.70 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.53 2k5t h ARG 105 Cb 0.35 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2k5t h ARG 105 CO 1.57 0.95 0.28 0.78 -1.07 0.00 0.00 179.97 182.48 2k5t h GLY 106 N 1.12 0.67 0.98 0.04 0.00 -1.96 0.28 103.07 104.21 2k5t h GLY 106 Ca 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2k5t h GLY 106 CO -0.02 0.27 0.28 -2.08 0.00 0.00 0.00 176.54 175.00 2k5t h VAL 107 N 0.61 1.19 0.00 4.60 2.07 -1.88 -2.38 116.25 120.46 2k5t h VAL 107 Ca 0.17 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2k5t h VAL 107 Cb -0.00 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2k5t h VAL 107 CO -0.03 0.21 -0.26 0.24 0.02 0.00 0.00 177.57 177.74 2k5t h MET 108 N 0.73 0.00 -0.21 1.57 2.07 -0.86 0.10 114.93 118.33 2k5t h MET 108 Ca 0.19 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.81 2k5t h MET 108 Cb 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.79 2k5t h MET 108 CO -0.03 0.26 0.11 1.15 1.07 0.00 0.00 176.91 179.48 2k5t h THR 109 N 0.00 1.12 -0.42 2.22 2.02 -0.44 0.24 112.91 117.65 2k5t h THR 109 Ca -0.00 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.74 2k5t h THR 109 Cb 0.48 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2k5t h THR 109 CO 0.03 0.12 -0.20 0.00 0.37 0.00 0.00 175.52 175.84 2k5t h ALA 110 N 0.99 0.87 0.20 6.16 0.00 -1.08 -0.86 119.26 125.54 2k5t h ALA 110 Ca 0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k5t h ALA 110 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2k5t h ALA 110 CO -0.01 0.63 -0.16 0.35 0.00 0.00 0.00 179.25 180.06 2k5t h PHE 111 N 0.72 -0.42 0.00 0.00 3.57 -0.51 -1.77 116.94 118.52 2k5t h PHE 111 Ca 0.10 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 2k5t h PHE 111 Cb 0.71 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 2k5t h PHE 111 CO 0.04 -0.25 -0.61 0.52 -2.23 0.00 0.00 178.31 175.78 2k5t h MET 112 N -0.37 0.00 -0.16 1.11 2.86 -0.47 -2.17 114.93 115.73 2k5t h MET 112 Ca -0.01 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 2k5t h MET 112 Cb 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2k5t h MET 112 CO -0.01 0.61 -0.42 0.37 1.06 0.00 0.00 176.91 178.52 2k5t h GLN 113 N 0.00 0.37 -0.16 1.72 4.15 -1.11 0.40 115.11 120.47 2k5t h GLN 113 Ca -0.01 -0.18 -0.13 0.00 0.77 0.00 0.00 58.65 59.10 2k5t h GLN 113 Cb 1.32 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 2k5t h GLN 113 CO 0.08 0.73 -0.45 0.00 -1.93 0.00 0.00 178.83 177.26 2k5t h ALA 114 N 1.25 0.93 0.00 3.38 0.00 -1.03 -3.31 119.26 120.50 2k5t h ALA 114 Ca 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2k5t h ALA 114 Cb 0.87 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k5t h ALA 114 CO 0.07 0.64 -0.07 1.25 0.00 0.00 0.00 179.25 181.15 2k5t h LEU 115 N 0.32 0.00 0.00 0.00 5.85 -1.12 -3.49 115.31 116.87 2k5t h LEU 115 Ca 0.02 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2k5t h LEU 115 Cb 0.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2k5t h LEU 115 CO 0.08 0.93 0.00 0.61 -0.34 0.00 0.00 178.44 179.72 2k5t n GLY 116 N 1.63 -0.25 3.07 3.75 0.00 0.12 -5.09 105.19 108.42 2k5t n GLY 116 Ca -0.09 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 2k5t n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5t s PHE 117 N 0.00 0.05 0.11 1.61 0.08 -0.26 -4.97 117.98 114.60 2k5t s PHE 117 Ca 0.00 -0.13 0.09 0.00 0.12 0.00 0.00 56.93 57.00 2k5t s PHE 117 Cb 0.00 -0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.35 2k5t s PHE 117 CO 0.00 -0.24 -0.17 0.99 -0.10 0.00 0.00 175.22 175.70 2k5t s THR 118 N -1.19 2.93 -0.35 0.64 2.01 -1.24 -4.37 115.64 114.08 2k5t s THR 118 Ca -0.13 -1.46 -0.15 0.00 0.31 0.00 0.00 61.69 60.26 2k5t s THR 118 Cb -0.07 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 2k5t s THR 118 CO 0.01 0.10 0.37 0.42 -0.69 0.00 0.00 174.62 174.83 2k5t s THR 119 N -1.15 5.16 -0.13 -0.82 -4.23 -1.26 -1.24 115.64 111.97 2k5t s THR 119 Ca 0.18 0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.72 2k5t s THR 119 Cb -0.11 -3.84 0.04 0.00 1.34 0.00 0.00 72.50 69.94 2k5t s THR 119 CO 0.11 -0.11 0.01 -1.58 -0.54 0.00 0.00 174.62 172.51 2k5t s GLN 120 N 2.04 0.71 -1.37 3.99 2.00 0.16 -4.86 119.66 122.32 2k5t s GLN 120 Ca 0.12 -0.15 -0.04 0.00 -2.00 0.00 0.00 55.36 53.29 2k5t s GLN 120 Cb -0.17 -1.52 0.00 0.00 0.80 0.00 0.00 33.01 32.13 2k5t s GLN 120 CO 0.12 -0.45 0.54 1.04 -0.50 0.00 0.00 175.29 176.04 2k5t n GLN 121 N 5.09 -4.33 -0.04 1.67 6.02 -1.26 -2.77 117.38 121.76 2k5t n GLN 121 Ca -0.08 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 2k5t n GLN 121 Cb 0.49 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 26.31 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 -1.44 0.72 3.68 1.08 0.00 -1.26 -5.05 105.19 102.93 2k5t n GLY 122 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2k5t n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5t s GLY 123 N -1.46 0.66 -0.19 -0.02 0.00 -1.11 -4.82 107.32 100.38 2k5t s GLY 123 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 44.72 43.63 2k5t s GLY 123 CO 0.00 -0.54 0.35 -0.98 0.00 0.00 0.00 173.10 171.94 2k5t s TRP 124 N -3.05 3.40 -0.06 1.90 0.51 -0.96 0.40 118.94 121.09 2k5t s TRP 124 Ca 0.20 0.60 0.01 0.00 -2.12 0.00 0.00 56.10 54.80 2k5t s TRP 124 Cb -0.03 -2.45 -0.03 0.00 -0.81 0.00 0.00 33.47 30.15 2k5t s TRP 124 CO 0.13 0.08 -0.08 -1.83 -0.51 0.00 0.00 176.95 174.75 2k5t s GLU 125 N 0.99 2.71 -0.35 4.98 -1.05 -0.37 -0.13 118.70 125.47 2k5t s GLU 125 Ca 0.18 -0.57 -0.01 0.00 -0.15 0.00 0.00 54.97 54.42 2k5t s GLU 125 Cb -0.14 -2.56 0.13 0.00 -0.44 0.00 0.00 34.13 31.11 2k5t s GLU 125 CO 0.07 0.66 0.18 0.21 0.95 0.00 0.00 175.26 177.33 2k5t s LYS 126 N -0.85 0.63 -0.03 -4.83 2.20 -0.04 -3.61 119.74 113.21 2k5t s LYS 126 Ca 0.13 -1.25 -0.23 0.00 -0.36 0.00 0.00 55.97 54.26 2k5t s LYS 126 Cb -0.11 -1.55 -0.04 0.00 -1.51 0.00 0.00 37.83 34.62 2k5t s LYS 126 CO 0.02 -1.13 0.68 0.00 -0.36 0.00 0.00 175.35 174.56