#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 2.76 -0.47 0.03 1.02 -1.26 -5.08 119.74 116.74 2k5t s LYS 2 Ca 0.00 -0.78 -0.28 0.00 0.02 0.00 0.00 55.97 54.93 2k5t s LYS 2 Cb 0.00 -2.12 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 2k5t s LYS 2 CO 0.00 0.14 1.40 -1.17 -0.92 0.00 0.00 175.35 174.80 2k5t s LEU 3 N 0.43 3.52 -0.91 3.17 2.96 -1.26 -4.76 118.68 121.84 2k5t s LEU 3 Ca -0.18 0.62 -0.23 0.00 -0.22 0.00 0.00 54.13 54.13 2k5t s LEU 3 Cb -0.17 -3.38 0.07 0.00 0.50 0.00 0.00 46.19 43.21 2k5t s LEU 3 CO 0.07 -1.52 1.30 -0.89 -1.32 0.00 0.00 176.35 173.99 2k5t s THR 4 N 5.62 4.10 -0.38 3.68 2.01 -0.96 -4.92 115.64 124.78 2k5t s THR 4 Ca 0.58 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 2k5t s THR 4 Cb -0.12 -4.94 0.01 0.00 0.01 0.00 0.00 72.50 67.46 2k5t s THR 4 CO 0.30 -1.78 0.69 -0.51 -0.69 0.00 0.00 174.62 172.62 2k5t s ILE 5 N 4.54 4.82 0.23 1.82 1.10 -1.26 -1.61 121.20 130.84 2k5t s ILE 5 Ca 0.39 0.57 0.11 0.00 -0.51 0.00 0.00 60.65 61.21 2k5t s ILE 5 Cb -0.04 -4.15 -0.05 0.00 0.15 0.00 0.00 42.46 38.37 2k5t s ILE 5 CO -0.03 -0.42 -0.21 -0.63 -2.11 0.00 0.00 174.94 171.54 2k5t s ILE 6 N 2.88 2.30 -0.18 2.00 1.01 -0.49 -4.91 121.20 123.81 2k5t s ILE 6 Ca 0.26 -2.21 -0.20 0.00 0.00 0.00 0.00 60.65 58.51 2k5t s ILE 6 Cb -0.14 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2k5t s ILE 6 CO 0.17 -0.31 0.57 -0.60 0.00 0.00 0.00 174.94 174.77 2k5t s ARG 7 N -3.15 4.24 0.08 2.79 3.52 -1.26 -0.18 118.95 124.99 2k5t s ARG 7 Ca 0.25 0.54 -0.31 0.00 -0.13 0.00 0.00 55.73 56.08 2k5t s ARG 7 Cb -0.06 -3.54 -0.07 0.00 -1.56 0.00 0.00 34.95 29.72 2k5t s ARG 7 CO 0.12 -0.12 1.42 -0.51 -0.81 0.00 0.00 175.30 175.39 2k5t s LEU 8 N 1.53 4.35 -0.23 -0.88 1.43 -0.69 -4.91 118.68 119.28 2k5t s LEU 8 Ca 0.27 2.28 -0.13 0.00 -1.03 0.00 0.00 54.13 55.53 2k5t s LEU 8 Cb -0.16 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.39 2k5t s LEU 8 CO 0.11 -0.70 -0.31 -0.62 0.23 0.00 0.00 176.35 175.06 2k5t n GLU 9 N 4.52 0.51 -4.45 1.70 -0.58 -1.26 -4.82 120.64 116.27 2k5t n GLU 9 Ca 0.12 0.22 -0.22 0.00 -0.42 0.00 0.00 57.16 56.86 2k5t n GLU 9 Cb 0.42 -1.36 -0.10 0.00 -0.57 0.00 0.00 31.44 29.83 2k5t n GLU 9 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2k5t s LYS 10 N -2.50 1.59 -0.14 3.49 1.02 -1.26 -5.03 119.74 116.92 2k5t s LYS 10 Ca -0.33 -1.80 -0.03 0.00 0.02 0.00 0.00 55.97 53.84 2k5t s LYS 10 Cb 0.12 -1.29 0.05 0.00 -0.52 0.00 0.00 37.83 36.19 2k5t s LYS 10 CO 0.42 0.08 0.04 -0.06 -0.92 0.00 0.00 175.35 174.91 2k5t s PHE 11 N -2.91 0.66 0.65 3.18 0.08 -1.26 -5.03 117.98 113.35 2k5t s PHE 11 Ca 0.30 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.92 2k5t s PHE 11 Cb 0.03 -0.84 0.09 0.00 -0.57 0.00 0.00 43.02 41.73 2k5t s PHE 11 CO 0.13 -0.46 0.90 -1.54 -0.10 0.00 0.00 175.22 174.14 2k5t s SER 12 N 1.98 4.74 0.30 1.36 1.04 -1.26 -4.88 113.70 116.97 2k5t s SER 12 Ca 0.02 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.14 2k5t s SER 12 Cb -0.15 -0.27 0.45 0.00 0.10 0.00 0.00 66.02 66.15 2k5t s SER 12 CO -0.07 -1.57 1.97 0.44 0.98 0.00 0.00 173.24 174.99 2k5t h ASP 13 N -0.25 0.94 -0.36 7.02 5.19 -2.00 0.11 116.42 127.07 2k5t h ASP 13 Ca -0.38 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 55.97 2k5t h ASP 13 Cb 1.28 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 2k5t h ASP 13 CO 0.44 0.68 0.08 1.56 -3.12 0.00 0.00 179.24 178.88 2k5t h GLN 14 N 1.11 0.58 -0.02 3.56 4.20 -1.99 -0.09 115.11 122.46 2k5t h GLN 14 Ca 0.31 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2k5t h GLN 14 Cb -0.11 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 2k5t h GLN 14 CO -0.07 0.63 0.01 -0.44 -0.67 0.00 0.00 178.83 178.29 2k5t h ASP 15 N 0.43 0.03 -0.33 1.46 3.32 -1.81 -1.68 116.42 117.83 2k5t h ASP 15 Ca 0.11 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.09 2k5t h ASP 15 Cb 0.31 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2k5t h ASP 15 CO 0.00 0.11 0.18 -0.09 -1.72 0.00 0.00 179.24 177.72 2k5t h ARG 16 N -0.06 0.36 -0.35 3.56 2.43 -0.66 -0.92 114.38 118.75 2k5t h ARG 16 Ca 0.01 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2k5t h ARG 16 Cb 0.09 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2k5t h ARG 16 CO -0.00 0.24 -0.21 0.82 -1.51 0.00 0.00 179.97 179.31 2k5t h ILE 17 N 0.38 1.27 -0.39 1.20 2.04 -0.96 0.19 117.51 121.22 2k5t h ILE 17 Ca 0.13 -1.28 -0.12 0.00 1.00 0.00 0.00 64.86 64.59 2k5t h ILE 17 Cb 0.02 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2k5t h ILE 17 CO -0.08 0.42 -0.24 -0.78 0.00 0.00 0.00 178.15 177.47 2k5t h ASP 18 N 0.59 0.89 -0.46 1.72 3.58 -0.94 0.14 116.42 121.94 2k5t h ASP 18 Ca 0.09 -0.42 -0.05 0.00 0.42 0.00 0.00 57.03 57.07 2k5t h ASP 18 Cb 0.68 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2k5t h ASP 18 CO 0.05 1.12 0.10 -0.07 -2.88 0.00 0.00 179.24 177.56 2k5t h LEU 19 N 0.66 0.71 0.00 2.28 3.38 -1.00 -1.60 115.31 119.75 2k5t h LEU 19 Ca 0.08 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2k5t h LEU 19 Cb 0.81 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2k5t h LEU 19 CO 0.07 0.77 0.00 1.67 0.09 0.00 0.00 178.44 181.04 2k5t n GLN 20 N -4.48 0.74 -0.04 1.13 7.27 0.63 -0.96 117.38 121.68 2k5t n GLN 20 Ca 0.01 0.01 -0.13 0.00 0.07 0.00 0.00 57.00 56.96 2k5t n GLN 20 Cb 0.23 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.23 2k5t n GLN 20 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2k5t n LYS 21 N -1.07 0.68 -0.08 3.69 4.81 0.48 -3.90 118.16 122.76 2k5t n LYS 21 Ca 0.19 0.21 -0.13 0.00 -0.87 0.00 0.00 58.31 57.71 2k5t n LYS 21 Cb 0.12 -1.69 -0.05 0.00 0.02 0.00 0.00 35.03 33.44 2k5t n LYS 21 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2k5t h ILE 22 N 0.02 1.31 -3.32 3.15 2.04 -0.48 -3.35 117.51 116.89 2k5t h ILE 22 Ca -0.41 -1.27 -0.77 0.00 1.00 0.00 0.00 64.86 63.41 2k5t h ILE 22 Cb 2.06 1.63 -0.25 0.00 -0.74 0.00 0.00 36.82 39.51 2k5t h ILE 22 CO 0.05 0.39 -0.14 0.26 0.00 0.00 0.00 178.15 178.72 2k5t s TRP 23 N -4.49 3.41 -0.95 1.37 0.51 -0.13 -4.95 118.94 113.71 2k5t s TRP 23 Ca -0.13 -1.54 0.00 0.00 -2.12 0.00 0.00 56.10 52.31 2k5t s TRP 23 Cb 0.07 -3.78 0.00 0.00 -0.81 0.00 0.00 33.47 28.95 2k5t s TRP 23 CO 0.78 -1.01 0.30 -0.35 -0.51 0.00 0.00 176.95 176.17 2k5t n PRO 24 N 4.84 0.57 0.00 4.98 -0.04 -1.25 -4.17 135.00 139.94 2k5t n PRO 24 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2k5t n PRO 24 Cb 0.42 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2k5t n PRO 24 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k5t n GLU 25 N 0.24 0.00 -0.51 0.54 4.07 -1.26 -5.05 120.64 118.67 2k5t n GLU 25 Ca 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.17 2k5t n GLU 25 Cb 0.15 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.51 2k5t n GLU 25 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 2k5t n TYR 26 N -0.89 -2.55 -4.98 4.31 9.36 -1.26 -4.84 117.16 116.30 2k5t n TYR 26 Ca 0.00 0.63 -0.32 0.00 3.32 0.00 0.00 57.90 61.53 2k5t n TYR 26 Cb 0.00 -0.99 -0.14 0.00 -0.63 0.00 0.00 39.34 37.59 2k5t n TYR 26 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2k5t s SER 27 N -5.09 3.72 0.30 2.98 0.01 -1.26 -5.11 113.70 109.26 2k5t s SER 27 Ca 0.00 -0.30 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 2k5t s SER 27 Cb 0.00 -0.67 -0.10 0.00 0.21 0.00 0.00 66.02 65.46 2k5t s SER 27 CO 0.00 0.33 1.42 -2.16 0.41 0.00 0.00 173.24 173.24 2k5t s PRO 28 N -0.79 4.25 0.00 12.44 0.04 -1.26 -2.54 135.00 147.13 2k5t s PRO 28 Ca 0.11 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2k5t s PRO 28 Cb -0.10 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2k5t s PRO 28 CO 0.01 -0.39 0.00 0.45 0.04 0.00 0.00 177.00 177.10 2k5t n SER 29 N 1.48 0.00 -0.22 6.66 2.88 -1.26 -4.80 113.62 118.36 2k5t n SER 29 Ca 0.04 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.66 2k5t n SER 29 Cb 0.40 -1.01 0.43 0.00 -0.75 0.00 0.00 64.21 63.28 2k5t n SER 29 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k5t n SER 30 N 0.00 0.65 -0.94 -3.46 7.64 -1.05 -3.45 113.62 113.00 2k5t n SER 30 Ca 0.00 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.29 2k5t n SER 30 Cb 0.00 -0.05 0.09 0.00 -1.01 0.00 0.00 64.21 63.25 2k5t n SER 30 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k5t n LEU 31 N -0.33 2.54 -4.76 -3.43 4.77 -1.26 -4.90 117.00 109.62 2k5t n LEU 31 Ca 0.13 -1.29 -0.40 0.00 -0.03 0.00 0.00 56.01 54.43 2k5t n LEU 31 Cb 0.16 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 2k5t n LEU 31 CO 0.10 0.40 0.81 -1.58 -1.33 0.00 0.00 177.39 175.79 2k5t s GLN 32 N -1.34 4.50 0.03 3.23 0.74 -1.22 -5.05 119.66 120.54 2k5t s GLN 32 Ca 0.14 1.81 0.01 0.00 0.05 0.00 0.00 55.36 57.38 2k5t s GLN 32 Cb 0.11 -3.05 -0.02 0.00 1.10 0.00 0.00 33.01 31.15 2k5t s GLN 32 CO 0.04 0.08 -0.05 0.54 -0.55 0.00 0.00 175.29 175.35 2k5t s VAL 33 N -1.24 0.31 0.00 1.34 0.11 -1.26 -4.92 120.40 114.74 2k5t s VAL 33 Ca 0.48 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 2k5t s VAL 33 Cb -0.31 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 2k5t s VAL 33 CO 0.40 -0.42 0.00 -0.90 -3.33 0.00 0.00 175.10 170.85 2k5t n ASP 34 N 1.60 0.00 0.11 3.54 5.68 0.18 -5.01 116.55 122.64 2k5t n ASP 34 Ca -0.23 -0.24 0.04 0.00 -0.50 0.00 0.00 54.79 53.86 2k5t n ASP 34 Cb 0.55 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2k5t n ASP 34 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2k5t h ASP 35 N 0.00 0.00 0.00 -1.12 3.58 -2.00 -3.35 116.42 113.53 2k5t h ASP 35 Ca 0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 2k5t h ASP 35 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2k5t h ASP 35 CO 0.00 0.42 -0.77 -1.13 -2.88 0.00 0.00 179.24 174.88 2k5t h ASN 36 N 0.00 0.00 -2.97 2.28 -1.24 -1.93 -3.43 115.58 108.29 2k5t h ASN 36 Ca -0.06 -0.70 -0.69 0.00 0.71 0.00 0.00 56.30 55.56 2k5t h ASN 36 Cb 1.37 -0.00 -0.19 0.00 0.73 0.00 0.00 38.32 40.23 2k5t h ASN 36 CO 0.04 1.30 0.14 -1.00 -1.29 0.00 0.00 177.43 176.62 2k5t s HIS 37 N -2.31 2.98 -0.09 0.67 3.76 -1.26 -1.31 115.29 117.74 2k5t s HIS 37 Ca -0.25 -0.81 -0.01 0.00 -0.15 0.00 0.00 55.06 53.84 2k5t s HIS 37 Cb 0.02 -3.92 -0.03 0.00 1.11 0.00 0.00 32.58 29.77 2k5t s HIS 37 CO 0.63 -1.26 -0.04 1.03 -0.85 0.00 0.00 174.74 174.25 2k5t s ARG 38 N 2.79 3.02 -0.32 1.40 0.52 0.13 -0.65 118.95 125.84 2k5t s ARG 38 Ca 0.13 -0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 54.77 2k5t s ARG 38 Cb -0.22 -2.72 0.02 0.00 0.52 0.00 0.00 34.95 32.55 2k5t s ARG 38 CO 0.08 0.58 0.11 0.42 0.02 0.00 0.00 175.30 176.51 2k5t s ILE 39 N -0.57 3.99 -0.05 1.52 1.01 -1.26 0.02 121.20 125.86 2k5t s ILE 39 Ca 0.09 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 2k5t s ILE 39 Cb -0.12 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 2k5t s ILE 39 CO 0.02 -0.06 0.37 -0.31 0.00 0.00 0.00 174.94 174.96 2k5t s TYR 40 N 1.47 3.64 -0.22 3.97 2.02 0.25 -1.71 117.35 126.78 2k5t s TYR 40 Ca 0.01 0.87 0.01 0.00 -0.37 0.00 0.00 57.07 57.58 2k5t s TYR 40 Cb -0.18 -2.30 0.03 0.00 -0.40 0.00 0.00 41.96 39.11 2k5t s TYR 40 CO 0.03 0.52 -0.14 0.00 -1.57 0.00 0.00 175.55 174.40 2k5t s ALA 41 N -0.59 2.49 -0.86 3.71 0.00 0.75 -2.19 121.76 125.07 2k5t s ALA 41 Ca 0.22 -1.42 -0.18 0.00 0.00 0.00 0.00 51.96 50.58 2k5t s ALA 41 Cb -0.15 -1.42 0.15 0.00 0.00 0.00 0.00 23.12 21.69 2k5t s ALA 41 CO 0.10 -0.68 1.00 0.00 0.00 0.00 0.00 175.76 176.18 2k5t s ALA 42 N 1.25 3.52 -0.08 0.00 0.00 0.13 -1.40 121.76 125.19 2k5t s ALA 42 Ca 0.00 -2.79 -0.17 0.00 0.00 0.00 0.00 51.96 49.00 2k5t s ALA 42 Cb -0.16 -3.87 -0.05 0.00 0.00 0.00 0.00 23.12 19.05 2k5t s ALA 42 CO -0.09 -2.75 0.46 -0.98 0.00 0.00 0.00 175.76 172.40 2k5t s ARG 43 N 2.19 4.23 -0.46 0.00 1.70 -0.64 -0.11 118.95 125.85 2k5t s ARG 43 Ca 0.27 0.44 -0.07 0.00 -0.47 0.00 0.00 55.73 55.90 2k5t s ARG 43 Cb -0.08 -3.37 0.12 0.00 -0.57 0.00 0.00 34.95 31.04 2k5t s ARG 43 CO -0.07 0.32 0.31 0.12 -1.08 0.00 0.00 175.30 174.90 2k5t s PHE 44 N 0.10 3.48 0.00 5.89 5.36 -0.36 -2.27 117.98 130.18 2k5t s PHE 44 Ca 0.25 -2.09 0.00 0.00 -0.96 0.00 0.00 56.93 54.14 2k5t s PHE 44 Cb -0.16 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 2k5t s PHE 44 CO 0.11 -0.98 0.00 0.09 -1.46 0.00 0.00 175.22 172.98 2k5t n ASN 45 N 4.73 0.00 -0.08 6.13 4.13 -1.26 -3.77 115.26 125.14 2k5t n ASN 45 Ca -0.05 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.12 2k5t n ASN 45 Cb 0.41 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.62 2k5t n ASN 45 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2k5t n GLU 46 N 0.00 0.50 -3.86 3.52 1.02 -1.26 -5.09 120.64 115.47 2k5t n GLU 46 Ca 0.00 0.20 -0.19 0.00 -0.02 0.00 0.00 57.16 57.15 2k5t n GLU 46 Cb 0.00 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 29.99 2k5t n GLU 46 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k5t n ARG 47 N -4.40 0.58 -2.54 3.49 1.74 -1.25 -5.08 116.66 109.20 2k5t n ARG 47 Ca -0.14 -2.69 -0.43 0.00 -0.77 0.00 0.00 57.85 53.82 2k5t n ARG 47 Cb 0.50 1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 33.55 2k5t n ARG 47 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k5t s LEU 48 N 0.00 3.78 -0.04 0.55 1.43 -1.26 -1.22 118.68 121.92 2k5t s LEU 48 Ca 0.20 0.88 0.11 0.00 -1.03 0.00 0.00 54.13 54.29 2k5t s LEU 48 Cb 0.01 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.45 2k5t s LEU 48 CO 0.14 -1.12 0.68 0.25 0.23 0.00 0.00 176.35 176.53 2k5t h LEU 49 N 10.90 0.02 -7.78 1.79 5.85 -0.85 -3.47 115.31 121.77 2k5t h LEU 49 Ca -0.24 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.27 2k5t h LEU 49 Cb 1.08 -0.01 -0.23 0.00 0.37 0.00 0.00 40.66 41.87 2k5t h LEU 49 CO 1.07 1.04 -0.60 0.00 -0.34 0.00 0.00 178.44 179.61 2k5t s ALA 50 N -2.60 -0.15 -0.03 1.25 0.00 -0.77 -0.77 121.76 118.69 2k5t s ALA 50 Ca -0.05 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2k5t s ALA 50 Cb 0.08 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.24 2k5t s ALA 50 CO 0.82 -0.14 -0.07 0.00 0.00 0.00 0.00 175.76 176.38 2k5t s ALA 51 N -0.91 0.72 -0.11 0.00 0.00 -0.65 -0.69 121.76 120.13 2k5t s ALA 51 Ca -0.10 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 2k5t s ALA 51 Cb -0.06 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.76 2k5t s ALA 51 CO 0.00 0.08 0.30 0.54 0.00 0.00 0.00 175.76 176.68 2k5t s VAL 52 N 0.45 0.00 0.08 0.00 0.11 -0.93 -2.07 120.40 118.04 2k5t s VAL 52 Ca -0.06 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2k5t s VAL 52 Cb -0.10 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2k5t s VAL 52 CO 0.00 -0.02 0.22 -0.13 -3.33 0.00 0.00 175.10 171.85 2k5t s ARG 53 N 0.07 3.43 -0.15 1.54 0.52 -0.87 -0.59 118.95 122.90 2k5t s ARG 53 Ca -0.01 -0.47 -0.13 0.00 -0.52 0.00 0.00 55.73 54.59 2k5t s ARG 53 Cb -0.02 -3.02 0.04 0.00 0.52 0.00 0.00 34.95 32.47 2k5t s ARG 53 CO 0.01 0.59 0.40 0.54 0.02 0.00 0.00 175.30 176.86 2k5t s VAL 54 N -1.55 -0.00 -0.26 3.52 0.11 0.10 -0.97 120.40 121.35 2k5t s VAL 54 Ca 0.35 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.37 2k5t s VAL 54 Cb -0.13 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 2k5t s VAL 54 CO 0.28 0.00 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.16 2k5t s THR 55 N 0.34 3.38 -0.93 5.04 2.01 0.17 0.20 115.64 125.86 2k5t s THR 55 Ca -0.01 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 2k5t s THR 55 Cb -0.03 -2.70 0.23 0.00 0.01 0.00 0.00 72.50 70.01 2k5t s THR 55 CO -0.01 0.19 0.90 -0.76 -0.69 0.00 0.00 174.62 174.25 2k5t s LEU 56 N 1.42 6.55 -1.17 4.42 1.43 -0.42 -1.15 118.68 129.76 2k5t s LEU 56 Ca 0.02 -2.95 -0.10 0.00 -1.03 0.00 0.00 54.13 50.06 2k5t s LEU 56 Cb -0.16 -2.22 0.23 0.00 0.03 0.00 0.00 46.19 44.07 2k5t s LEU 56 CO -0.02 -0.50 1.35 -0.24 0.23 0.00 0.00 176.35 177.17 2k5t n SER 57 N 3.70 5.47 0.00 2.29 2.88 0.84 -4.83 113.62 123.97 2k5t n SER 57 Ca 0.18 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 2k5t n SER 57 Cb 0.45 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 2k5t n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5t n GLY 58 N 3.07 1.26 0.19 0.46 0.00 -1.26 -1.40 105.19 107.51 2k5t n GLY 58 Ca 0.31 0.37 0.03 0.00 0.00 0.00 0.00 46.02 46.73 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 -3.90 2.61 -2.24 -1.26 -4.97 114.28 104.52 2k5t n THR 59 Ca 0.00 -0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 2k5t n THR 59 Cb 0.00 1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 69.22 2k5t n THR 59 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k5t s GLU 60 N -0.73 3.86 -0.45 -0.78 2.02 -0.50 -2.52 118.70 119.60 2k5t s GLU 60 Ca 0.06 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.66 2k5t s GLU 60 Cb 0.05 -3.29 0.12 0.00 0.10 0.00 0.00 34.13 31.11 2k5t s GLU 60 CO 0.11 0.08 0.21 0.20 0.02 0.00 0.00 175.26 175.88 2k5t s GLY 61 N 0.92 2.16 -0.37 -1.39 0.00 0.91 -0.11 107.32 109.44 2k5t s GLY 61 Ca 0.04 -2.82 -0.15 0.00 0.00 0.00 0.00 44.72 41.79 2k5t s GLY 61 CO 0.03 1.01 0.32 0.00 0.00 0.00 0.00 173.10 174.46 2k5t s ALA 62 N 0.56 3.49 -0.32 3.20 0.00 -0.30 -0.42 121.76 127.97 2k5t s ALA 62 Ca 0.12 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.51 2k5t s ALA 62 Cb -0.22 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2k5t s ALA 62 CO -0.04 -1.19 0.49 -0.51 0.00 0.00 0.00 175.76 174.51 2k5t s LEU 63 N 1.88 4.26 -0.14 0.00 1.02 0.16 0.45 118.68 126.31 2k5t s LEU 63 Ca 0.09 0.11 -0.03 0.00 0.02 0.00 0.00 54.13 54.31 2k5t s LEU 63 Cb -0.17 -2.57 -0.03 0.00 0.02 0.00 0.00 46.19 43.44 2k5t s LEU 63 CO 0.11 -0.40 -0.04 -1.81 0.02 0.00 0.00 176.35 174.23 2k5t s ASP 64 N 1.70 4.76 -0.19 2.29 1.01 -0.14 -0.89 116.67 125.21 2k5t s ASP 64 Ca 0.18 -0.11 -0.11 0.00 0.71 0.00 0.00 52.55 53.22 2k5t s ASP 64 Cb -0.16 -1.69 0.04 0.00 1.01 0.00 0.00 42.92 42.13 2k5t s ASP 64 CO 0.12 0.20 0.22 -1.20 0.21 0.00 0.00 175.17 174.72 2k5t n SER 65 N 3.31 -1.10 -4.02 0.27 7.64 -1.20 -2.06 113.62 116.46 2k5t n SER 65 Ca -0.18 1.29 -0.31 0.00 1.01 0.00 0.00 58.87 60.69 2k5t n SER 65 Cb 0.53 -5.08 -0.16 0.00 -1.01 0.00 0.00 64.21 58.48 2k5t n SER 65 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2k5t s LEU 66 N -0.73 1.93 -0.06 -3.43 2.96 -1.26 -2.55 118.68 115.54 2k5t s LEU 66 Ca -0.25 -0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 52.97 2k5t s LEU 66 Cb 0.02 -1.23 0.02 0.00 0.50 0.00 0.00 46.19 45.49 2k5t s LEU 66 CO 0.76 -0.08 0.14 -0.60 -1.32 0.00 0.00 176.35 175.26 2k5t s ARG 67 N 1.43 0.16 0.41 1.98 3.52 -0.88 -5.04 118.95 120.53 2k5t s ARG 67 Ca 0.03 0.21 0.08 0.00 -0.13 0.00 0.00 55.73 55.92 2k5t s ARG 67 Cb -0.14 0.06 -0.00 0.00 -1.56 0.00 0.00 34.95 33.31 2k5t s ARG 67 CO -0.10 -0.03 0.51 0.14 -0.81 0.00 0.00 175.30 175.00 2k5t s VAL 68 N 0.16 3.07 0.76 7.11 -7.23 -1.26 -1.63 120.40 121.38 2k5t s VAL 68 Ca -0.01 -1.09 -0.13 0.00 -1.81 0.00 0.00 61.98 58.95 2k5t s VAL 68 Cb -0.02 -3.05 0.06 0.00 0.56 0.00 0.00 36.38 33.93 2k5t s VAL 68 CO -0.00 -0.02 1.14 -0.13 -0.31 0.00 0.00 175.10 175.77 2k5t s ARG 69 N -4.27 2.09 0.29 4.82 0.52 0.05 -4.92 118.95 117.53 2k5t s ARG 69 Ca 0.52 1.47 0.01 0.00 -0.52 0.00 0.00 55.73 57.20 2k5t s ARG 69 Cb -0.08 -1.86 0.53 0.00 0.52 0.00 0.00 34.95 34.07 2k5t s ARG 69 CO 0.31 -1.82 1.89 1.49 0.02 0.00 0.00 175.30 177.19 2k5t h GLU 70 N -0.78 1.00 -1.43 3.54 4.57 -1.97 -1.85 114.58 117.65 2k5t h GLU 70 Ca -0.45 -0.06 -0.21 0.00 -1.18 0.00 0.00 59.36 57.46 2k5t h GLU 70 Cb 1.26 -0.22 -0.10 0.00 -0.16 0.00 0.00 28.75 29.52 2k5t h GLU 70 CO 0.49 0.66 0.27 0.28 -1.18 0.00 0.00 179.01 179.54 2k5t n VAL 71 N -4.52 2.27 -0.36 0.32 0.31 -1.26 -3.43 118.33 111.66 2k5t n VAL 71 Ca 0.16 -1.09 0.00 0.00 -0.01 0.00 0.00 64.34 63.40 2k5t n VAL 71 Cb 0.25 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 0.42 0.31 -2.77 2.52 -1.04 -0.70 -5.00 114.28 108.03 2k5t n THR 72 Ca 0.21 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.05 61.33 2k5t n THR 72 Cb 0.68 1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 70.18 2k5t n THR 72 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2k5t s ARG 73 N -0.31 4.54 -1.32 -2.82 0.52 -1.22 -3.47 118.95 114.87 2k5t s ARG 73 Ca 0.00 1.33 -0.05 0.00 -0.52 0.00 0.00 55.73 56.49 2k5t s ARG 73 Cb 0.00 -3.46 0.01 0.00 0.52 0.00 0.00 34.95 32.02 2k5t s ARG 73 CO 0.00 -0.02 0.68 0.54 0.02 0.00 0.00 175.30 176.52 2k5t n ARG 74 N 3.85 -5.09 -0.15 3.54 1.74 -1.26 -4.91 116.66 114.38 2k5t n ARG 74 Ca 0.05 0.78 0.06 0.00 -0.77 0.00 0.00 57.85 57.97 2k5t n ARG 74 Cb 0.51 -5.44 0.08 0.00 -1.02 0.00 0.00 32.46 26.59 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 -3.87 1.19 0.00 5.56 1.74 -1.23 -5.01 116.66 115.06 2k5t n ARG 75 Ca -0.07 -1.96 0.00 0.00 -0.77 0.00 0.00 57.85 55.05 2k5t n ARG 75 Cb 0.59 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 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 -0.91 1.31 0.29 -0.13 0.00 -1.26 -4.78 105.19 99.71 2k5t n GLY 76 Ca 0.09 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 0.47 -0.93 1.61 2.07 -1.95 -0.16 116.25 117.36 2k5t h VAL 77 Ca 0.00 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2k5t h VAL 77 Cb 0.00 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.88 2k5t h VAL 77 CO 0.00 0.05 0.61 1.23 0.02 0.00 0.00 177.57 179.48 2k5t h GLY 78 N 0.30 1.31 1.15 2.17 0.00 -1.86 -1.15 103.07 104.98 2k5t h GLY 78 Ca 0.47 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2k5t h GLY 78 CO -0.54 0.48 0.06 -1.61 0.00 0.00 0.00 176.54 174.94 2k5t h GLN 79 N 1.26 1.03 -0.11 4.80 4.15 -1.45 -2.51 115.11 122.28 2k5t h GLN 79 Ca 0.34 -0.29 0.01 0.00 0.77 0.00 0.00 58.65 59.48 2k5t h GLN 79 Cb -0.14 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 2k5t h GLN 79 CO -0.07 0.97 0.03 -0.92 -1.93 0.00 0.00 178.83 176.91 2k5t h TYR 80 N 0.96 0.06 -0.23 3.99 5.03 -0.88 -2.63 116.97 123.26 2k5t h TYR 80 Ca 0.19 0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.56 2k5t h TYR 80 Cb 0.47 -0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.66 2k5t h TYR 80 CO 0.03 0.03 -0.29 1.25 -1.32 0.00 0.00 178.16 177.86 2k5t h LEU 81 N 0.08 -0.92 0.03 2.82 5.85 -0.80 0.25 115.31 122.64 2k5t h LEU 81 Ca 0.05 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2k5t h LEU 81 Cb 0.03 0.42 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2k5t h LEU 81 CO -0.05 -0.32 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.64 2k5t h LEU 82 N -0.31 -0.04 -1.66 2.25 -0.00 -1.49 -2.58 115.31 111.48 2k5t h LEU 82 Ca 0.13 -0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 57.79 2k5t h LEU 82 Cb 0.51 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 2k5t h LEU 82 CO -0.40 0.15 -0.18 -0.33 -0.00 0.00 0.00 178.44 177.68 2k5t h GLU 83 N -0.23 0.00 -0.20 1.13 4.39 -1.18 -2.05 114.58 116.44 2k5t h GLU 83 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2k5t h GLU 83 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2k5t h GLU 83 CO 0.01 0.18 0.01 1.49 -1.16 0.00 0.00 179.01 179.54 2k5t h GLU 84 N 0.00 0.35 -0.47 2.33 4.57 -0.29 -2.03 114.58 119.04 2k5t h GLU 84 Ca -0.00 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 2k5t h GLU 84 Cb 0.45 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2k5t h GLU 84 CO 0.02 0.54 0.21 0.28 -1.18 0.00 0.00 179.01 178.89 2k5t h VAL 85 N 0.12 1.19 0.00 0.32 2.07 -0.99 0.23 116.25 119.19 2k5t h VAL 85 Ca 0.06 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 2k5t h VAL 85 Cb 0.38 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2k5t h VAL 85 CO 0.01 0.22 -0.24 -0.07 0.02 0.00 0.00 177.57 177.51 2k5t h LEU 86 N 0.62 0.00 0.00 2.57 4.07 -1.42 0.54 115.31 121.69 2k5t h LEU 86 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 2k5t h LEU 86 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 2k5t h LEU 86 CO -0.02 0.24 -0.73 -0.09 -1.08 0.00 0.00 178.44 176.75 2k5t h ARG 87 N 0.00 0.00 0.09 1.13 2.43 -0.82 -3.36 114.38 113.85 2k5t h ARG 87 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2k5t h ARG 87 Cb 0.48 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2k5t h ARG 87 CO 0.03 0.00 -0.72 -0.97 -1.51 0.00 0.00 179.97 176.80 2k5t h ASN 88 N 0.00 0.30 -3.33 -3.80 -1.24 0.40 -3.42 115.58 104.49 2k5t h ASN 88 Ca 0.00 -0.92 -0.75 0.00 0.71 0.00 0.00 56.30 55.34 2k5t h ASN 88 Cb 0.97 -0.10 -0.27 0.00 0.73 0.00 0.00 38.32 39.65 2k5t h ASN 88 CO 0.00 1.33 -0.23 0.20 -1.29 0.00 0.00 177.43 177.44 2k5t s ASN 89 N -6.77 6.08 0.23 1.15 -0.87 0.09 -5.07 114.94 109.78 2k5t s ASN 89 Ca -0.17 -2.04 -0.12 0.00 -1.57 0.00 0.00 52.86 48.96 2k5t s ASN 89 Cb 0.01 -2.13 -0.08 0.00 -0.02 0.00 0.00 41.25 39.03 2k5t s ASN 89 CO 0.77 -0.73 0.60 -2.16 -2.57 0.00 0.00 177.10 173.00 2k5t s PRO 90 N 1.19 3.91 0.00 -0.60 0.04 -1.26 -4.21 135.00 134.07 2k5t s PRO 90 Ca 0.07 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2k5t s PRO 90 Cb -0.25 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2k5t s PRO 90 CO -0.01 0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.77 2k5t n GLY 91 N 0.09 0.71 3.64 0.56 0.00 -1.26 -5.01 105.19 103.92 2k5t n GLY 91 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.36 4.27 0.14 1.61 1.01 -1.26 -4.91 120.40 118.91 2k5t s VAL 92 Ca 0.00 1.48 0.03 0.00 0.00 0.00 0.00 61.98 63.48 2k5t s VAL 92 Cb 0.00 -4.18 -0.18 0.00 0.00 0.00 0.00 36.38 32.02 2k5t s VAL 92 CO 0.00 -0.38 1.32 0.28 0.00 0.00 0.00 175.10 176.32 2k5t h SER 93 N 8.71 0.22 -3.43 3.32 0.02 -1.67 -3.29 113.55 117.42 2k5t h SER 93 Ca -0.25 -0.19 -0.60 0.00 -0.84 0.00 0.00 61.79 59.90 2k5t h SER 93 Cb 1.09 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 63.17 2k5t h SER 93 CO 1.02 1.05 -0.76 0.00 -1.14 0.00 0.00 176.83 177.00 2k5t s TRP 95 N 1.40 3.05 -0.27 0.00 0.52 -0.93 -0.06 118.94 122.66 2k5t s TRP 95 Ca 0.04 -1.07 -0.10 0.00 0.02 0.00 0.00 56.10 55.00 2k5t s TRP 95 Cb -0.18 -4.04 -0.04 0.00 -1.15 0.00 0.00 33.47 28.06 2k5t s TRP 95 CO -0.14 -1.31 0.15 -0.46 0.02 0.00 0.00 176.95 175.21 2k5t s TRP 96 N 2.55 3.18 -0.17 -1.98 -0.11 0.45 -0.54 118.94 122.32 2k5t s TRP 96 Ca 0.14 -0.04 -0.02 0.00 1.22 0.00 0.00 56.10 57.40 2k5t s TRP 96 Cb -0.21 -2.32 -0.02 0.00 -1.50 0.00 0.00 33.47 29.42 2k5t s TRP 96 CO 0.04 -0.20 -0.07 -1.64 -4.62 0.00 0.00 176.95 170.45 2k5t s MET 97 N 1.65 3.48 -0.33 5.86 -1.94 0.14 0.38 119.30 128.54 2k5t s MET 97 Ca 0.07 -0.61 0.00 0.00 -1.71 0.00 0.00 55.69 53.44 2k5t s MET 97 Cb -0.16 -2.85 0.10 0.00 2.01 0.00 0.00 34.83 33.94 2k5t s MET 97 CO 0.08 0.09 0.10 0.00 -0.01 0.00 0.00 175.02 175.28 2k5t s ALA 98 N 0.72 1.83 0.17 3.03 0.00 -0.06 -1.82 121.76 125.62 2k5t s ALA 98 Ca -0.03 -1.90 0.04 0.00 0.00 0.00 0.00 51.96 50.07 2k5t s ALA 98 Cb -0.15 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.27 2k5t s ALA 98 CO 0.02 -1.70 1.39 -0.44 0.00 0.00 0.00 175.76 175.02 2k5t h ASP 99 N 7.89 0.17 0.00 0.00 3.32 -1.94 -3.17 116.42 122.70 2k5t h ASP 99 Ca -0.11 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2k5t h ASP 99 Cb 1.01 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2k5t h ASP 99 CO 0.48 0.96 0.00 0.00 -1.72 0.00 0.00 179.24 178.96 2k5t n ALA 100 N -2.44 0.00 -1.42 3.45 0.00 -1.26 -4.09 120.51 114.75 2k5t n ALA 100 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 2k5t n ALA 100 Cb 0.81 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.33 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 5.90 3.69 0.00 0.00 -1.26 -4.95 105.19 108.56 2k5t n GLY 101 Ca 0.00 -2.35 -0.42 0.00 0.00 0.00 0.00 46.02 43.25 2k5t n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5t s VAL 102 N -4.83 4.83 -0.05 1.61 0.11 -1.26 -4.91 120.40 115.90 2k5t s VAL 102 Ca 0.63 1.89 0.11 0.00 -2.93 0.00 0.00 61.98 61.68 2k5t s VAL 102 Cb 0.50 -4.25 -0.23 0.00 -1.53 0.00 0.00 36.38 30.87 2k5t s VAL 102 CO -0.03 0.03 0.63 -0.62 -3.33 0.00 0.00 175.10 171.78 2k5t n GLU 103 N 4.94 0.64 -0.79 1.54 1.02 -1.26 -4.24 120.64 122.49 2k5t n GLU 103 Ca 0.07 0.29 -0.07 0.00 -0.02 0.00 0.00 57.16 57.43 2k5t n GLU 103 Cb 0.49 -1.78 -0.09 0.00 -0.02 0.00 0.00 31.44 30.03 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 -3.07 5.31 -0.15 1.62 9.92 -1.26 -4.63 116.55 124.28 2k5t n ASP 104 Ca -0.18 -2.46 -0.04 0.00 -0.53 0.00 0.00 54.79 51.58 2k5t n ASP 104 Cb 1.05 -1.29 0.05 0.00 -0.64 0.00 0.00 41.12 40.29 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 2.13 0.30 -0.15 -1.24 3.08 -1.99 0.24 114.38 116.75 2k5t h ARG 105 Ca 0.11 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 2k5t h ARG 105 Cb 1.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 2k5t h ARG 105 CO 0.14 0.20 0.08 0.78 -1.07 0.00 0.00 179.97 180.10 2k5t h GLY 106 N 0.30 0.23 1.02 0.04 0.00 -1.96 0.62 103.07 103.32 2k5t h GLY 106 Ca 0.22 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 2k5t h GLY 106 CO -0.25 0.10 0.09 -2.08 0.00 0.00 0.00 176.54 174.41 2k5t h VAL 107 N 0.14 1.25 -0.64 4.60 2.07 -1.81 -1.48 116.25 120.40 2k5t h VAL 107 Ca 0.05 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 2k5t h VAL 107 Cb 0.08 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2k5t h VAL 107 CO -0.01 0.35 0.12 -0.03 0.02 0.00 0.00 177.57 178.02 2k5t h MET 108 N 0.82 1.03 -0.61 1.57 -1.53 -0.37 -0.77 114.93 115.07 2k5t h MET 108 Ca 0.17 -0.26 -0.07 0.00 -3.44 0.00 0.00 59.70 56.10 2k5t h MET 108 Cb 0.41 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.30 2k5t h MET 108 CO 0.01 0.94 0.08 1.15 0.14 0.00 0.00 176.91 179.23 2k5t h THR 109 N 0.98 1.26 -0.72 -0.77 2.02 -0.59 0.22 112.91 115.30 2k5t h THR 109 Ca 0.20 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 2k5t h THR 109 Cb 0.40 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2k5t h THR 109 CO 0.01 0.37 0.33 0.00 0.37 0.00 0.00 175.52 176.60 2k5t h ALA 110 N 1.14 0.93 -0.62 6.16 0.00 -0.81 0.10 119.26 126.17 2k5t h ALA 110 Ca 0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2k5t h ALA 110 Cb 0.43 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2k5t h ALA 110 CO 0.01 0.51 0.25 0.35 0.00 0.00 0.00 179.25 180.37 2k5t h PHE 111 N 1.01 0.93 -0.84 0.00 3.57 -0.65 -1.79 116.94 119.17 2k5t h PHE 111 Ca 0.25 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2k5t h PHE 111 Cb 0.14 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2k5t h PHE 111 CO 0.01 0.74 0.45 0.52 -2.23 0.00 0.00 178.31 177.79 2k5t h MET 112 N 0.86 1.18 0.00 1.11 2.86 -0.01 -1.53 114.93 119.40 2k5t h MET 112 Ca 0.21 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2k5t h MET 112 Cb 0.20 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 2k5t h MET 112 CO -0.02 0.87 -0.06 1.96 1.06 0.00 0.00 176.91 180.72 2k5t h GLN 113 N 1.18 0.00 0.00 1.72 4.20 -0.47 0.39 115.11 122.13 2k5t h GLN 113 Ca 0.29 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.86 2k5t h GLN 113 Cb 0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2k5t h GLN 113 CO -0.05 0.06 -0.67 0.00 -0.67 0.00 0.00 178.83 177.50 2k5t h ALA 114 N 1.94 0.56 0.16 3.87 0.00 -0.44 -3.31 119.26 122.04 2k5t h ALA 114 Ca -0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 54.91 53.97 2k5t h ALA 114 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k5t h ALA 114 CO 0.01 0.84 -1.62 -0.07 0.00 0.00 0.00 179.25 178.40 2k5t h LEU 115 N 0.00 0.52 0.00 0.00 3.38 -0.44 -3.49 115.31 115.28 2k5t h LEU 115 Ca -0.01 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2k5t h LEU 115 Cb 1.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2k5t h LEU 115 CO 0.09 1.61 0.00 0.61 0.09 0.00 0.00 178.44 180.84 2k5t n GLY 116 N 1.75 1.92 3.86 0.83 0.00 0.11 -5.06 105.19 108.61 2k5t n GLY 116 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 3.63 0.05 1.61 0.40 0.47 -4.65 117.98 117.48 2k5t s PHE 117 Ca 0.00 0.74 0.02 0.00 -0.60 0.00 0.00 56.93 57.09 2k5t s PHE 117 Cb 0.00 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 2k5t s PHE 117 CO 0.00 0.62 0.09 0.99 0.70 0.00 0.00 175.22 177.62 2k5t s THR 118 N -1.21 4.65 -0.39 0.64 2.01 0.64 -4.25 115.64 117.74 2k5t s THR 118 Ca 0.25 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 2k5t s THR 118 Cb -0.14 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.17 2k5t s THR 118 CO 0.14 0.20 0.39 -0.89 -0.69 0.00 0.00 174.62 173.77 2k5t s THR 119 N -1.33 5.14 -0.03 -0.82 2.01 -1.26 0.31 115.64 119.66 2k5t s THR 119 Ca 0.28 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2k5t s THR 119 Cb -0.12 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.46 2k5t s THR 119 CO 0.20 -0.28 -0.04 -1.10 -0.69 0.00 0.00 174.62 172.71 2k5t s GLN 120 N 2.05 0.59 -1.63 4.92 -0.21 0.15 -4.85 119.66 120.68 2k5t s GLN 120 Ca 0.11 -0.11 -0.00 0.00 0.02 0.00 0.00 55.36 55.38 2k5t s GLN 120 Cb -0.17 -0.62 0.00 0.00 1.00 0.00 0.00 33.01 33.22 2k5t s GLN 120 CO 0.12 -0.01 0.00 1.04 -2.12 0.00 0.00 175.29 174.33 2k5t n GLN 121 N 3.61 -1.82 -0.24 2.91 6.02 -1.26 -1.37 117.38 125.23 2k5t n GLN 121 Ca -0.21 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 2k5t n GLN 121 Cb 0.54 -5.58 0.00 0.00 1.02 0.00 0.00 30.24 26.22 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 -0.97 0.91 3.37 1.08 0.00 -1.26 -5.03 105.19 103.29 2k5t n GLY 122 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 3.29 3.50 -0.02 0.00 -0.47 -4.92 105.19 104.57 2k5t n GLY 123 Ca 0.00 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.04 2.84 -0.02 1.61 0.51 -0.76 0.31 118.94 120.40 2k5t s TRP 124 Ca 0.18 -0.18 0.03 0.00 -2.12 0.00 0.00 56.10 54.01 2k5t s TRP 124 Cb 0.01 -1.72 -0.00 0.00 -0.81 0.00 0.00 33.47 30.94 2k5t s TRP 124 CO 0.13 0.16 -0.09 -2.00 -0.51 0.00 0.00 176.95 174.64 2k5t s GLU 125 N -0.49 0.88 -0.33 4.98 2.12 0.15 0.25 118.70 126.26 2k5t s GLU 125 Ca 0.07 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.12 2k5t s GLU 125 Cb -0.12 -0.83 0.09 0.00 0.26 0.00 0.00 34.13 33.53 2k5t s GLU 125 CO 0.02 0.14 0.02 0.21 -0.54 0.00 0.00 175.26 175.11 2k5t s LYS 126 N 0.06 1.71 0.29 4.30 2.20 0.30 -0.26 119.74 128.33 2k5t s LYS 126 Ca -0.01 -1.74 -0.28 0.00 -0.36 0.00 0.00 55.97 53.58 2k5t s LYS 126 Cb -0.07 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.00 2k5t s LYS 126 CO 0.00 -0.86 0.99 0.00 -0.36 0.00 0.00 175.35 175.13