#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8h n LYS 2 N 0.00 2.20 -4.25 1.61 4.01 -1.26 -4.95 118.16 115.51 1k8h n LYS 2 Ca 0.00 -3.09 -0.15 0.00 -0.51 0.00 0.00 58.31 54.56 1k8h n LYS 2 Cb 0.00 -2.11 -0.10 0.00 -0.51 0.00 0.00 35.03 32.31 1k8h n LYS 2 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1k8h s SER 3 N -1.66 1.85 -1.37 4.39 0.15 -1.26 -4.81 113.70 111.00 1k8h s SER 3 Ca 0.55 -1.00 -0.09 0.00 0.70 0.00 0.00 55.95 56.11 1k8h s SER 3 Cb 0.46 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 1k8h s SER 3 CO 0.07 -0.31 1.17 -0.67 1.20 0.00 0.00 173.24 174.70 1k8h n ASP 4 N -0.15 -6.08 -0.02 5.45 2.03 -1.26 -4.98 116.55 111.54 1k8h n ASP 4 Ca -0.10 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.64 1k8h n ASP 4 Cb 0.60 -4.96 0.00 0.00 -0.72 0.00 0.00 41.12 36.05 1k8h n ASP 4 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1k8h n LYS 5 N -4.95 1.72 -2.36 -0.67 3.00 -1.26 -5.01 118.16 108.63 1k8h n LYS 5 Ca -0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.88 1k8h n LYS 5 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.57 1k8h n LYS 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1k8h s ILE 6 N -0.15 4.03 -0.21 3.15 2.07 -1.26 -4.70 121.20 124.13 1k8h s ILE 6 Ca 0.00 1.37 -0.15 0.00 -1.41 0.00 0.00 60.65 60.46 1k8h s ILE 6 Cb 0.00 -3.88 -0.04 0.00 0.13 0.00 0.00 42.46 38.67 1k8h s ILE 6 CO 0.00 -0.01 0.35 -0.63 -1.91 0.00 0.00 174.94 172.74 1k8h s ILE 7 N 2.37 5.23 0.20 2.00 -1.09 -0.86 -4.97 121.20 124.08 1k8h s ILE 7 Ca 0.59 0.60 -0.30 0.00 -2.23 0.00 0.00 60.65 59.32 1k8h s ILE 7 Cb -0.27 -3.69 -0.08 0.00 -1.58 0.00 0.00 42.46 36.84 1k8h s ILE 7 CO 0.23 0.26 1.04 -2.84 -1.23 0.00 0.00 174.94 172.41 1k8h s PRO 8 N 1.30 4.68 0.20 2.79 0.02 -1.26 -2.10 135.00 140.63 1k8h s PRO 8 Ca 0.17 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 62.81 1k8h s PRO 8 Cb -0.15 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.06 1k8h s PRO 8 CO 0.07 0.22 0.15 0.42 -0.33 0.00 0.00 177.00 177.53 1k8h s ILE 9 N -0.58 0.01 0.00 2.83 1.01 -0.96 -4.94 121.20 118.56 1k8h s ILE 9 Ca 0.46 -1.95 0.00 0.00 0.00 0.00 0.00 60.65 59.16 1k8h s ILE 9 Cb -0.28 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1k8h s ILE 9 CO 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 174.94 175.25 1k8h n ALA 10 N -0.27 0.00 -2.38 9.38 0.00 -1.23 -2.38 120.51 123.64 1k8h n ALA 10 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 1k8h n ALA 10 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.10 1k8h n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k8h n GLU 11 N 0.00 -4.06 -3.16 0.00 -0.58 -1.22 -4.96 120.64 106.66 1k8h n GLU 11 Ca 0.00 2.98 0.05 0.00 -0.42 0.00 0.00 57.16 59.77 1k8h n GLU 11 Cb 0.00 -3.90 -0.02 0.00 -0.57 0.00 0.00 31.44 26.95 1k8h n GLU 11 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1k8h s ASN 12 N -0.48 -0.56 -0.46 1.62 3.04 -1.22 -4.97 114.94 111.90 1k8h s ASN 12 Ca -0.05 0.37 0.04 0.00 0.04 0.00 0.00 52.86 53.25 1k8h s ASN 12 Cb 0.00 1.48 0.62 0.00 -1.54 0.00 0.00 41.25 41.81 1k8h s ASN 12 CO 0.14 -0.10 1.88 0.29 -3.04 0.00 0.00 177.10 176.27 1k8h n LYS 13 N 5.45 2.28 -0.02 0.43 5.02 -1.26 -4.56 118.16 125.50 1k8h n LYS 13 Ca -0.06 -3.08 -0.13 0.00 -2.02 0.00 0.00 58.31 53.02 1k8h n LYS 13 Cb 0.53 -2.16 -0.10 0.00 -0.02 0.00 0.00 35.03 33.29 1k8h n LYS 13 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1k8h h GLU 14 N 1.15 0.01 -0.41 1.97 4.57 -1.95 -3.04 114.58 116.86 1k8h h GLU 14 Ca 0.59 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.85 1k8h h GLU 14 Cb 2.47 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 30.98 1k8h h GLU 14 CO 1.10 0.51 -0.10 0.00 -1.18 0.00 0.00 179.01 179.34 1k8h h ALA 15 N 0.50 0.28 -0.31 2.92 0.00 -1.89 -1.92 119.26 118.85 1k8h h ALA 15 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1k8h h ALA 15 Cb 0.50 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1k8h h ALA 15 CO 0.00 -0.45 -0.05 -0.22 0.00 0.00 0.00 179.25 178.53 1k8h h LYS 16 N 0.00 0.03 0.13 0.00 3.11 -1.60 1.09 116.57 119.32 1k8h h LYS 16 Ca 0.20 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.03 1k8h h LYS 16 Cb 0.30 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.53 1k8h h LYS 16 CO -0.42 0.02 -0.08 0.00 -2.81 0.00 0.00 179.45 176.15 1k8h h ALA 17 N 1.30 -0.95 0.00 5.00 0.00 -1.28 -2.99 119.26 120.34 1k8h h ALA 17 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k8h h ALA 17 Cb 0.22 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1k8h h ALA 17 CO -0.30 -0.94 0.00 -0.22 0.00 0.00 0.00 179.25 177.79 1k8h h LYS 18 N -0.20 0.00 -3.26 0.00 3.64 -1.37 -3.42 116.57 111.96 1k8h h LYS 18 Ca -0.02 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.10 1k8h h LYS 18 Cb 0.16 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 31.65 1k8h h LYS 18 CO 0.01 0.00 -0.62 0.71 -2.27 0.00 0.00 179.45 177.28 1k8h s TYR 19 N -3.65 -0.14 -0.04 1.91 2.02 0.37 -4.83 117.35 113.00 1k8h s TYR 19 Ca 0.00 0.45 -0.30 0.00 -0.37 0.00 0.00 57.07 56.85 1k8h s TYR 19 Cb 0.09 -0.14 -0.04 0.00 -0.40 0.00 0.00 41.96 41.47 1k8h s TYR 19 CO 0.43 -0.17 1.30 0.34 -1.57 0.00 0.00 175.55 175.87 1k8h s ASP 20 N 1.35 6.95 0.08 2.29 -1.08 -1.23 -3.07 116.67 121.96 1k8h s ASP 20 Ca -0.07 1.94 -0.07 0.00 -0.52 0.00 0.00 52.55 53.83 1k8h s ASP 20 Cb -0.12 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.73 1k8h s ASP 20 CO -0.05 -0.66 0.35 -0.51 0.52 0.00 0.00 175.17 174.82 1k8h s ILE 21 N 2.41 5.18 0.00 4.11 -1.16 -1.26 -2.46 121.20 128.02 1k8h s ILE 21 Ca 0.59 0.22 0.00 0.00 -0.51 0.00 0.00 60.65 60.95 1k8h s ILE 21 Cb -0.27 -3.62 0.00 0.00 0.61 0.00 0.00 42.46 39.18 1k8h s ILE 21 CO 0.23 0.23 0.00 0.18 -2.81 0.00 0.00 174.94 172.78 1k8h n LEU 22 N 0.71 0.40 -4.33 8.50 4.77 -0.89 -4.99 117.00 121.17 1k8h n LEU 22 Ca -0.07 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.66 1k8h n LEU 22 Cb 0.52 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 1k8h n LEU 22 CO 0.44 -0.13 -0.52 -0.70 -1.33 0.00 0.00 177.39 175.14 1k8h s GLU 23 N -1.73 1.25 0.23 3.23 2.12 -1.25 -5.03 118.70 117.52 1k8h s GLU 23 Ca 0.00 -1.29 -0.01 0.00 0.36 0.00 0.00 54.97 54.04 1k8h s GLU 23 Cb 0.00 -1.52 -0.03 0.00 0.26 0.00 0.00 34.13 32.83 1k8h s GLU 23 CO 0.00 0.34 0.19 0.95 -0.54 0.00 0.00 175.26 176.20 1k8h s THR 24 N -1.38 0.00 0.27 -1.70 -4.23 -1.26 -0.89 115.64 106.45 1k8h s THR 24 Ca 0.11 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 1k8h s THR 24 Cb -0.09 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1k8h s THR 24 CO 0.06 0.00 0.14 -0.31 -0.54 0.00 0.00 174.62 173.96 1k8h s TYR 25 N -4.02 1.49 -0.07 3.99 1.51 -0.87 -4.99 117.35 114.39 1k8h s TYR 25 Ca 0.38 -1.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.14 1k8h s TYR 25 Cb 0.05 -0.80 0.01 0.00 -0.11 0.00 0.00 41.96 41.11 1k8h s TYR 25 CO 0.14 -0.50 -0.16 -1.21 -1.11 0.00 0.00 175.55 172.72 1k8h s GLU 26 N -3.95 2.03 0.08 -0.62 0.41 -1.26 -2.76 118.70 112.64 1k8h s GLU 26 Ca 0.37 -0.55 0.02 0.00 -0.41 0.00 0.00 54.97 54.41 1k8h s GLU 26 Cb 0.06 -1.63 -0.04 0.00 -1.78 0.00 0.00 34.13 30.74 1k8h s GLU 26 CO 0.15 0.09 -0.08 0.00 -0.49 0.00 0.00 175.26 174.94 1k8h s ALA 27 N 0.51 0.89 -0.12 5.21 0.00 -1.07 -4.80 121.76 122.37 1k8h s ALA 27 Ca -0.14 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.68 1k8h s ALA 27 Cb -0.16 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1k8h s ALA 27 CO 0.05 -0.14 -0.17 0.20 0.00 0.00 0.00 175.76 175.70 1k8h s GLY 28 N -2.51 1.14 0.47 0.00 0.00 -1.26 -1.31 107.32 103.86 1k8h s GLY 28 Ca 0.04 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.96 1k8h s GLY 28 CO -0.02 0.17 0.66 -0.26 0.00 0.00 0.00 173.10 173.65 1k8h s ILE 29 N 0.96 3.00 -0.21 0.90 -4.36 0.23 -2.01 121.20 119.72 1k8h s ILE 29 Ca -0.06 -0.81 -0.16 0.00 -0.26 0.00 0.00 60.65 59.35 1k8h s ILE 29 Cb -0.15 -3.06 0.06 0.00 1.25 0.00 0.00 42.46 40.55 1k8h s ILE 29 CO -0.02 -0.04 0.53 -0.69 0.24 0.00 0.00 174.94 174.97 1k8h s VAL 30 N -2.54 -0.01 0.15 8.37 1.01 -1.26 -4.19 120.40 121.93 1k8h s VAL 30 Ca 0.55 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.58 1k8h s VAL 30 Cb -0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1k8h s VAL 30 CO 0.36 0.01 0.14 0.00 0.00 0.00 0.00 175.10 175.60 1k8h n LEU 31 N 3.29 0.00 -4.99 3.92 -0.00 -1.26 -4.90 117.00 113.06 1k8h n LEU 31 Ca -0.16 -1.41 -0.24 0.00 -0.00 0.00 0.00 56.01 54.19 1k8h n LEU 31 Cb 0.56 0.80 0.12 0.00 -0.00 0.00 0.00 43.42 44.90 1k8h n LEU 31 CO 0.07 -0.24 0.60 -0.54 -0.00 0.00 0.00 177.39 177.28 1k8h s LYS 32 N -2.58 1.50 -1.04 1.47 -0.14 -1.26 -4.98 119.74 112.71 1k8h s LYS 32 Ca 0.17 -1.04 -0.23 0.00 -1.36 0.00 0.00 55.97 53.51 1k8h s LYS 32 Cb 0.01 -2.26 0.02 0.00 -1.68 0.00 0.00 37.83 33.91 1k8h s LYS 32 CO 0.12 -1.60 1.64 0.20 -0.76 0.00 0.00 175.35 174.95 1k8h s GLY 33 N -4.77 0.99 0.00 -3.33 0.00 -1.26 -3.38 107.32 95.57 1k8h s GLY 33 Ca 0.68 -2.17 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1k8h s GLY 33 CO 0.46 2.94 0.00 1.44 0.00 0.00 0.00 173.10 177.94 1k8h n SER 34 N 10.40 0.00 -0.04 1.64 7.64 -1.26 -4.98 113.62 127.02 1k8h n SER 34 Ca 0.38 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.13 1k8h n SER 34 Cb 0.49 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.61 1k8h n SER 34 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1k8h h GLU 35 N 0.00 0.23 -0.59 1.43 4.81 -1.95 -2.98 114.58 115.53 1k8h h GLU 35 Ca 0.00 -0.13 0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1k8h h GLU 35 Cb 0.00 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.28 1k8h h GLU 35 CO 0.00 0.67 -0.13 0.28 -0.73 0.00 0.00 179.01 179.10 1k8h h VAL 36 N -0.19 0.43 -0.04 0.32 2.07 -1.94 -2.17 116.25 114.73 1k8h h VAL 36 Ca 0.01 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1k8h h VAL 36 Cb 0.63 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1k8h h VAL 36 CO 0.03 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.73 1k8h h LYS 37 N 0.01 0.06 -0.46 1.57 1.57 -1.93 -1.03 116.57 116.37 1k8h h LYS 37 Ca 0.29 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.14 1k8h h LYS 37 Cb 0.44 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.65 1k8h h LYS 37 CO -0.59 0.34 -0.20 1.03 -0.57 0.00 0.00 179.45 179.46 1k8h h SER 38 N -0.22 -0.68 -0.05 0.86 0.87 -1.27 -0.87 113.55 112.18 1k8h h SER 38 Ca 0.01 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1k8h h SER 38 Cb 0.31 0.38 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1k8h h SER 38 CO 0.00 -0.23 -0.06 -0.07 -0.53 0.00 0.00 176.83 175.94 1k8h h LEU 39 N -0.10 0.13 -0.36 2.23 3.38 -1.44 -2.96 115.31 116.19 1k8h h LEU 39 Ca 0.22 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.75 1k8h h LEU 39 Cb 0.44 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 1k8h h LEU 39 CO -0.52 0.62 -0.31 -0.09 0.09 0.00 0.00 178.44 178.23 1k8h h ARG 40 N -0.36 -0.25 0.65 1.13 1.12 -0.81 -2.74 114.38 113.12 1k8h h ARG 40 Ca 0.01 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.87 1k8h h ARG 40 Cb 0.59 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.60 1k8h h ARG 40 CO 0.01 -0.17 -0.49 1.05 -3.11 0.00 0.00 179.97 177.27 1k8h h GLU 41 N -0.26 -1.06 0.00 0.20 -0.00 -1.26 -3.45 114.58 108.76 1k8h h GLU 41 Ca 0.16 0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.60 1k8h h GLU 41 Cb 0.53 0.24 0.00 0.00 -0.00 0.00 0.00 28.75 29.52 1k8h h GLU 41 CO -0.50 -0.70 0.00 0.36 -0.00 0.00 0.00 179.01 178.16 1k8h n LYS 42 N -5.50 0.00 -4.47 1.06 2.85 -1.05 -5.13 118.16 105.92 1k8h n LYS 42 Ca -0.13 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.89 1k8h n LYS 42 Cb 0.48 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.75 1k8h n LYS 42 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1k8h s GLY 43 N 0.00 1.90 -0.06 2.58 0.00 -1.09 -4.91 107.32 105.74 1k8h s GLY 43 Ca 0.00 -1.90 0.06 0.00 0.00 0.00 0.00 44.72 42.87 1k8h s GLY 43 CO 0.00 -1.95 -0.25 -0.51 0.00 0.00 0.00 173.10 170.39 1k8h s THR 44 N -2.62 2.04 -0.36 0.90 -4.23 -1.25 -4.90 115.64 105.21 1k8h s THR 44 Ca 0.30 -1.05 0.14 0.00 -1.18 0.00 0.00 61.69 59.90 1k8h s THR 44 Cb -0.02 -1.73 0.41 0.00 1.34 0.00 0.00 72.50 72.49 1k8h s THR 44 CO 0.14 0.56 0.87 0.55 -0.54 0.00 0.00 174.62 176.21 1k8h n VAL 45 N 3.05 0.74 0.00 2.29 3.14 -1.26 -1.79 118.33 124.50 1k8h n VAL 45 Ca -0.18 -3.95 0.00 0.00 -2.96 0.00 0.00 64.34 57.25 1k8h n VAL 45 Cb 0.52 0.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 1k8h n VAL 45 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1k8h n SER 46 N 0.04 0.00 -2.69 6.55 3.41 -1.17 -4.87 113.62 114.89 1k8h n SER 46 Ca 0.19 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.76 1k8h n SER 46 Cb 0.72 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.79 1k8h n SER 46 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1k8h n PHE 47 N -0.02 -2.01 -2.49 7.33 -0.00 -0.87 -4.80 117.46 114.60 1k8h n PHE 47 Ca 0.00 -1.84 -0.17 0.00 -0.00 0.00 0.00 57.45 55.44 1k8h n PHE 47 Cb 0.00 1.46 0.00 0.00 -0.00 0.00 0.00 39.48 40.94 1k8h n PHE 47 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1k8h n LYS 48 N -1.11 -2.17 -0.26 -4.13 5.02 -1.26 -4.84 118.16 109.40 1k8h n LYS 48 Ca -0.11 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1k8h n LYS 48 Cb 0.86 -5.23 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 1k8h n LYS 48 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k8h n ASP 49 N -1.33 0.00 -4.51 4.39 9.92 -1.26 -5.08 116.55 118.67 1k8h n ASP 49 Ca -0.16 -1.33 -0.34 0.00 -0.53 0.00 0.00 54.79 52.43 1k8h n ASP 49 Cb 0.63 -0.07 -0.12 0.00 -0.64 0.00 0.00 41.12 40.93 1k8h n ASP 49 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1k8h s SER 50 N -0.33 4.94 0.29 -2.24 0.15 -1.26 -2.50 113.70 112.75 1k8h s SER 50 Ca 0.00 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.56 1k8h s SER 50 Cb 0.00 -1.82 -0.06 0.00 -1.71 0.00 0.00 66.02 62.43 1k8h s SER 50 CO 0.00 0.15 0.08 -0.36 1.20 0.00 0.00 173.24 174.31 1k8h s PHE 51 N 0.49 1.70 -0.09 3.44 0.40 -0.99 -4.53 117.98 118.41 1k8h s PHE 51 Ca -0.02 -1.11 0.03 0.00 -0.60 0.00 0.00 56.93 55.23 1k8h s PHE 51 Cb -0.14 -1.04 0.01 0.00 0.51 0.00 0.00 43.02 42.36 1k8h s PHE 51 CO 0.02 -0.21 -0.17 0.08 0.70 0.00 0.00 175.22 175.64 1k8h s VAL 52 N -3.58 1.56 -0.12 -0.44 1.01 -1.08 -2.70 120.40 115.06 1k8h s VAL 52 Ca 0.37 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1k8h s VAL 52 Cb 0.08 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1k8h s VAL 52 CO 0.14 0.45 -0.16 -0.13 0.00 0.00 0.00 175.10 175.40 1k8h s ARG 53 N 0.64 2.37 -0.17 2.72 0.52 -0.92 -4.27 118.95 119.83 1k8h s ARG 53 Ca -0.14 -0.61 -0.22 0.00 -0.52 0.00 0.00 55.73 54.24 1k8h s ARG 53 Cb -0.16 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.28 1k8h s ARG 53 CO 0.04 -0.07 0.66 0.42 0.02 0.00 0.00 175.30 176.37 1k8h s ILE 54 N 1.00 5.01 0.28 1.52 -1.09 -1.26 -2.24 121.20 124.42 1k8h s ILE 54 Ca -0.06 1.27 -0.00 0.00 -2.23 0.00 0.00 60.65 59.63 1k8h s ILE 54 Cb -0.15 -3.98 -0.02 0.00 -1.58 0.00 0.00 42.46 36.73 1k8h s ILE 54 CO -0.02 0.13 0.31 -1.61 -1.23 0.00 0.00 174.94 172.51 1k8h s GLU 55 N 1.75 1.60 1.62 2.79 2.02 -1.15 -4.86 118.70 122.48 1k8h s GLU 55 Ca 0.31 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.56 1k8h s GLU 55 Cb -0.16 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1k8h s GLU 55 CO 0.11 -0.61 0.00 0.09 0.02 0.00 0.00 175.26 174.88 1k8h n ASN 56 N -0.97 0.00 0.00 -0.19 3.02 -1.26 -2.07 115.26 113.79 1k8h n ASN 56 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1k8h n ASN 56 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1k8h n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k8h n GLY 57 N 0.00 1.00 3.22 7.41 0.00 -1.26 -4.93 105.19 110.62 1k8h n GLY 57 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1k8h n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k8h s GLU 58 N 0.00 1.19 0.01 1.61 8.01 -0.88 -3.42 118.70 125.22 1k8h s GLU 58 Ca 0.00 -1.58 -0.30 0.00 0.01 0.00 0.00 54.97 53.09 1k8h s GLU 58 Cb 0.00 0.28 -0.05 0.00 -4.31 0.00 0.00 34.13 30.05 1k8h s GLU 58 CO 0.00 -0.39 1.22 0.00 0.01 0.00 0.00 175.26 176.10 1k8h s ALA 59 N -4.14 3.44 0.01 5.21 0.00 -1.25 -2.91 121.76 122.12 1k8h s ALA 59 Ca 0.36 0.77 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1k8h s ALA 59 Cb 0.07 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1k8h s ALA 59 CO 0.11 -0.59 0.04 -1.58 0.00 0.00 0.00 175.76 173.73 1k8h s TRP 60 N 1.60 3.16 -0.12 0.00 0.52 -0.95 -2.32 118.94 120.82 1k8h s TRP 60 Ca 0.58 0.12 0.02 0.00 0.02 0.00 0.00 56.10 56.84 1k8h s TRP 60 Cb -0.28 -1.69 0.01 0.00 -1.15 0.00 0.00 33.47 30.37 1k8h s TRP 60 CO 0.26 0.50 -0.17 -0.51 0.02 0.00 0.00 176.95 177.05 1k8h s LEU 61 N -1.71 1.85 -0.05 2.99 1.43 -0.93 -2.17 118.68 120.09 1k8h s LEU 61 Ca 0.22 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1k8h s LEU 61 Cb -0.12 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1k8h s LEU 61 CO 0.13 0.03 -0.15 -0.72 0.23 0.00 0.00 176.35 175.87 1k8h s TYR 62 N 1.00 1.56 -0.14 0.29 1.13 -1.10 -1.67 117.35 118.43 1k8h s TYR 62 Ca -0.05 -0.49 0.02 0.00 -1.41 0.00 0.00 57.07 55.14 1k8h s TYR 62 Cb -0.15 -1.08 0.01 0.00 -1.10 0.00 0.00 41.96 39.64 1k8h s TYR 62 CO -0.03 -0.20 -0.22 -0.80 -2.51 0.00 0.00 175.55 171.79 1k8h s ASN 63 N 0.27 3.12 -0.22 -0.18 -0.87 -1.25 -2.35 114.94 113.46 1k8h s ASN 63 Ca -0.08 -0.60 0.15 0.00 -1.57 0.00 0.00 52.86 50.76 1k8h s ASN 63 Cb -0.13 -1.45 0.73 0.00 -0.02 0.00 0.00 41.25 40.39 1k8h s ASN 63 CO 0.03 0.08 1.65 0.18 -2.57 0.00 0.00 177.10 176.47 1k8h n LEU 64 N 4.07 5.16 -2.98 0.60 4.77 -1.04 -3.77 117.00 123.82 1k8h n LEU 64 Ca -0.20 -2.94 0.02 0.00 -0.03 0.00 0.00 56.01 52.86 1k8h n LEU 64 Cb 0.51 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1k8h n LEU 64 CO 0.27 0.65 0.35 -0.47 -1.33 0.00 0.00 177.39 176.86 1k8h s TYR 65 N -2.75 -0.86 0.29 -1.77 6.14 -1.26 -4.90 117.35 112.24 1k8h s TYR 65 Ca 0.51 0.22 0.05 0.00 0.64 0.00 0.00 57.07 58.50 1k8h s TYR 65 Cb 0.39 0.15 -0.06 0.00 0.42 0.00 0.00 41.96 42.87 1k8h s TYR 65 CO 0.14 -0.56 -0.01 0.96 0.64 0.00 0.00 175.55 176.72 1k8h s ILE 66 N 2.17 1.43 -0.56 3.14 -4.36 -1.26 -2.04 121.20 119.73 1k8h s ILE 66 Ca 0.17 -2.07 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 1k8h s ILE 66 Cb -0.01 -2.56 0.14 0.00 1.25 0.00 0.00 42.46 41.29 1k8h s ILE 66 CO -0.15 -0.21 0.31 0.00 0.24 0.00 0.00 174.94 175.14 1k8h s ALA 67 N -3.14 3.38 1.14 2.27 0.00 -0.74 -4.90 121.76 119.77 1k8h s ALA 67 Ca 0.32 -3.38 -0.18 0.00 0.00 0.00 0.00 51.96 48.72 1k8h s ALA 67 Cb 0.06 -2.15 0.17 0.00 0.00 0.00 0.00 23.12 21.20 1k8h s ALA 67 CO 0.13 -2.04 0.25 -2.30 0.00 0.00 0.00 175.76 171.80 1k8h n PRO 68 N 2.86 -2.23 -0.09 0.00 -0.02 -1.26 -3.94 135.00 130.31 1k8h n PRO 68 Ca 0.09 -0.65 -0.11 0.00 -2.02 0.00 0.00 63.50 60.81 1k8h n PRO 68 Cb 0.33 -1.70 -0.15 0.00 -0.02 0.00 0.00 33.50 31.96 1k8h n PRO 68 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1k8h n TYR 69 N -4.64 0.11 -2.45 6.00 4.11 -1.26 -4.90 117.16 114.13 1k8h n TYR 69 Ca 0.03 0.04 -0.33 0.00 -0.00 0.00 0.00 57.90 57.64 1k8h n TYR 69 Cb 0.55 -1.02 -0.03 0.00 -0.00 0.00 0.00 39.34 38.83 1k8h n TYR 69 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1k8h s LYS 70 N -2.50 3.87 -0.82 -3.48 2.20 -1.26 -5.01 119.74 112.73 1k8h s LYS 70 Ca -0.12 1.10 -0.13 0.00 -0.36 0.00 0.00 55.97 56.46 1k8h s LYS 70 Cb 0.06 -2.12 0.22 0.00 -1.51 0.00 0.00 37.83 34.48 1k8h s LYS 70 CO 0.81 -0.35 0.75 -3.38 -0.36 0.00 0.00 175.35 172.83 1k8h s HIS 71 N -2.39 3.75 -0.01 4.03 -3.43 -1.26 -5.04 115.29 110.94 1k8h s HIS 71 Ca 0.62 -2.08 0.05 0.00 -0.80 0.00 0.00 55.06 52.85 1k8h s HIS 71 Cb -0.12 -3.77 -0.03 0.00 -1.43 0.00 0.00 32.58 27.23 1k8h s HIS 71 CO 0.26 -0.98 -0.14 0.00 -2.00 0.00 0.00 174.74 171.88 1k8h s ALA 72 N 0.09 2.69 -0.07 -1.38 0.00 -1.26 -5.01 121.76 116.81 1k8h s ALA 72 Ca 0.18 -1.06 0.11 0.00 0.00 0.00 0.00 51.96 51.20 1k8h s ALA 72 Cb -0.11 -0.91 0.21 0.00 0.00 0.00 0.00 23.12 22.31 1k8h s ALA 72 CO -0.09 0.57 1.10 -2.37 0.00 0.00 0.00 175.76 174.97 1k8h n THR 73 N 1.94 0.89 -2.95 0.00 5.66 -1.26 -4.89 114.28 113.67 1k8h n THR 73 Ca -0.16 -1.28 -0.14 0.00 -3.05 0.00 0.00 64.05 59.41 1k8h n THR 73 Cb 0.52 0.23 -0.01 0.00 -1.55 0.00 0.00 70.33 69.53 1k8h n THR 73 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1k8h n ILE 74 N -0.55 -0.33 -3.62 1.09 5.41 -1.26 -5.13 119.36 114.97 1k8h n ILE 74 Ca 0.08 -2.40 -0.04 0.00 1.00 0.00 0.00 62.75 61.40 1k8h n ILE 74 Cb 0.74 0.06 -0.03 0.00 -0.71 0.00 0.00 39.64 39.70 1k8h n ILE 74 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1k8h s GLU 75 N 0.07 0.21 0.00 0.38 2.12 -1.26 -5.08 118.70 115.13 1k8h s GLU 75 Ca 0.33 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.64 1k8h s GLU 75 Cb 0.16 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.65 1k8h s GLU 75 CO -0.17 -0.08 0.00 0.27 -0.54 0.00 0.00 175.26 174.74 1k8h n ASN 76 N 0.26 0.70 -4.57 -1.70 0.23 -1.26 -4.91 115.26 104.01 1k8h n ASN 76 Ca -0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 53.70 1k8h n ASN 76 Cb 0.58 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.25 1k8h n ASN 76 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1k8h s HIS 77 N -2.00 2.27 0.21 -2.53 2.46 -1.26 -4.14 115.29 110.30 1k8h s HIS 77 Ca 0.00 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.19 1k8h s HIS 77 Cb 0.00 -4.41 0.00 0.00 -0.13 0.00 0.00 32.58 28.04 1k8h s HIS 77 CO 0.00 -1.74 0.00 -0.25 -2.47 0.00 0.00 174.74 170.28 1k8h n ASP 78 N 11.18 -1.86 0.23 9.88 8.00 -1.26 -5.01 116.55 137.70 1k8h n ASP 78 Ca 0.40 0.40 -0.14 0.00 0.71 0.00 0.00 54.79 56.16 1k8h n ASP 78 Cb 0.48 2.01 -0.08 0.00 -0.02 0.00 0.00 41.12 43.51 1k8h n ASP 78 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1k8h h PRO 79 N 0.00 -0.76 -5.72 -0.24 0.13 -1.94 -3.34 132.00 120.12 1k8h h PRO 79 Ca 0.00 0.05 -0.32 0.00 -0.87 0.00 0.00 66.00 64.86 1k8h h PRO 79 Cb 0.00 0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.25 1k8h h PRO 79 CO 0.00 -0.51 0.83 -0.48 -0.23 0.00 0.00 178.00 177.62 1k8h s LEU 80 N -8.82 3.19 0.00 1.56 0.05 -1.26 -4.68 118.68 108.71 1k8h s LEU 80 Ca -0.14 -0.84 0.00 0.00 0.05 0.00 0.00 54.13 53.20 1k8h s LEU 80 Cb 0.03 -2.56 0.00 0.00 -2.05 0.00 0.00 46.19 41.61 1k8h s LEU 80 CO 0.47 -2.67 0.00 -1.14 -0.55 0.00 0.00 176.35 172.46 1k8h n ARG 81 N 8.80 2.07 -3.66 1.48 0.63 -1.25 -5.00 116.66 119.73 1k8h n ARG 81 Ca 0.40 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.26 1k8h n ARG 81 Cb 0.47 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.30 1k8h n ARG 81 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1k8h s LYS 82 N -0.62 0.46 0.03 -0.14 1.02 -1.26 -3.92 119.74 115.30 1k8h s LYS 82 Ca 0.00 1.06 0.06 0.00 0.02 0.00 0.00 55.97 57.11 1k8h s LYS 82 Cb 0.00 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.56 1k8h s LYS 82 CO 0.00 -0.20 -0.14 1.03 -0.92 0.00 0.00 175.35 175.13 1k8h s ARG 83 N 2.11 2.26 -0.20 1.68 3.00 -0.67 -5.03 118.95 122.10 1k8h s ARG 83 Ca -0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 55.73 54.73 1k8h s ARG 83 Cb -0.10 -2.31 -0.03 0.00 0.00 0.00 0.00 34.95 32.52 1k8h s ARG 83 CO -0.15 0.56 0.01 0.15 0.00 0.00 0.00 175.30 175.87 1k8h s LYS 84 N -1.43 3.64 0.17 3.54 3.01 -1.26 -2.20 119.74 125.21 1k8h s LYS 84 Ca 0.16 -0.51 0.06 0.00 -1.01 0.00 0.00 55.97 54.67 1k8h s LYS 84 Cb -0.11 -3.09 -0.04 0.00 -1.01 0.00 0.00 37.83 33.58 1k8h s LYS 84 CO 0.06 0.02 0.05 -0.51 0.51 0.00 0.00 175.35 175.48 1k8h s LEU 85 N 0.99 3.50 0.81 3.17 1.43 -0.98 -4.39 118.68 123.21 1k8h s LEU 85 Ca 0.02 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 1k8h s LEU 85 Cb -0.14 -2.13 0.08 0.00 0.03 0.00 0.00 46.19 44.02 1k8h s LEU 85 CO 0.02 0.08 1.16 -0.76 0.23 0.00 0.00 176.35 177.08 1k8h s LEU 86 N -2.99 2.46 0.00 1.79 1.02 -0.85 -3.86 118.68 116.25 1k8h s LEU 86 Ca 0.29 0.88 0.00 0.00 0.02 0.00 0.00 54.13 55.32 1k8h s LEU 86 Cb -0.10 -3.39 0.00 0.00 0.02 0.00 0.00 46.19 42.73 1k8h s LEU 86 CO 0.20 -1.96 0.00 -0.11 0.02 0.00 0.00 176.35 174.51 1k8h n LEU 87 N -3.37 0.00 -4.43 1.79 -0.00 -1.26 -4.03 117.00 105.70 1k8h n LEU 87 Ca 0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.88 1k8h n LEU 87 Cb 0.60 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.92 1k8h n LEU 87 CO 0.57 0.00 -0.27 -1.00 -0.00 0.00 0.00 177.39 176.70 1k8h s HIS 88 N -0.98 1.90 -0.02 1.96 3.76 -1.22 -4.95 115.29 115.74 1k8h s HIS 88 Ca 0.00 -1.00 -0.12 0.00 -0.15 0.00 0.00 55.06 53.80 1k8h s HIS 88 Cb 0.00 -1.23 -0.32 0.00 1.11 0.00 0.00 32.58 32.14 1k8h s HIS 88 CO 0.00 -0.05 0.79 1.57 -0.85 0.00 0.00 174.74 176.20 1k8h h LYS 89 N 2.14 0.43 -0.00 1.40 2.10 -1.98 -3.21 116.57 117.45 1k8h h LYS 89 Ca -0.40 -0.73 -0.00 0.00 -2.00 0.00 0.00 60.65 57.52 1k8h h LYS 89 Cb 1.25 0.27 -0.00 0.00 -0.90 0.00 0.00 32.23 32.85 1k8h h LYS 89 CO 0.68 1.34 -0.01 -0.09 -2.00 0.00 0.00 179.45 179.37 1k8h h ARG 90 N 0.12 0.01 -0.33 0.07 2.43 -1.97 -3.28 114.38 111.42 1k8h h ARG 90 Ca -0.31 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.92 1k8h h ARG 90 Cb 2.11 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.60 1k8h h ARG 90 CO 0.21 0.54 -0.07 0.93 -1.51 0.00 0.00 179.97 180.07 1k8h h GLU 91 N -0.52 0.01 -0.55 0.20 4.39 -1.94 -2.64 114.58 113.54 1k8h h GLU 91 Ca 0.00 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 1k8h h GLU 91 Cb 0.54 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.09 1k8h h GLU 91 CO 0.00 0.01 -0.09 0.97 -1.16 0.00 0.00 179.01 178.74 1k8h h ILE 92 N 0.01 0.49 0.15 3.13 -0.00 -1.64 -0.93 117.51 118.72 1k8h h ILE 92 Ca 0.16 -0.01 0.02 0.00 -0.00 0.00 0.00 64.86 65.02 1k8h h ILE 92 Cb 0.24 0.45 -0.04 0.00 -0.00 0.00 0.00 36.82 37.47 1k8h h ILE 92 CO -0.33 0.01 -0.34 0.24 -0.00 0.00 0.00 178.15 177.72 1k8h h MET 93 N 0.04 -0.57 -0.29 2.19 2.86 -1.53 -0.81 114.93 116.82 1k8h h MET 93 Ca 0.27 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 58.01 1k8h h MET 93 Cb 0.42 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 1k8h h MET 93 CO -0.53 -0.38 -0.08 0.00 1.06 0.00 0.00 176.91 176.99 1k8h h ARG 94 N -0.59 -0.00 0.09 1.72 3.08 -1.26 -2.07 114.38 115.34 1k8h h ARG 94 Ca 0.02 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1k8h h ARG 94 Cb 0.60 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1k8h h ARG 94 CO -0.18 -0.00 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.38 1k8h h LEU 95 N -0.00 -0.78 0.04 3.04 3.38 -0.90 -1.98 115.31 118.10 1k8h h LEU 95 Ca 0.14 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1k8h h LEU 95 Cb 0.22 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1k8h h LEU 95 CO -0.30 -0.36 -0.05 0.22 0.09 0.00 0.00 178.44 178.04 1k8h h TYR 96 N -0.47 -0.15 0.00 1.13 5.03 -0.88 -1.50 116.97 120.13 1k8h h TYR 96 Ca 0.04 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1k8h h TYR 96 Cb 0.51 0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1k8h h TYR 96 CO -0.26 -0.07 0.00 0.41 -1.32 0.00 0.00 178.16 176.92 1k8h n GLY 97 N -1.06 -2.80 0.35 1.82 0.00 -0.80 -1.60 105.19 101.10 1k8h n GLY 97 Ca -0.01 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 1k8h n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k8h h LYS 98 N 0.00 -0.48 0.00 1.61 1.79 -1.47 -0.96 116.57 117.06 1k8h h LYS 98 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1k8h h LYS 98 Cb 0.00 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1k8h h LYS 98 CO 0.00 -0.32 0.00 0.28 -1.08 0.00 0.00 179.45 178.33 1k8h n VAL 99 N -4.66 0.00 0.03 0.50 0.31 -0.56 -1.60 118.33 112.34 1k8h n VAL 99 Ca -0.05 1.47 -0.02 0.00 -0.01 0.00 0.00 64.34 65.73 1k8h n VAL 99 Cb 0.29 -2.27 -0.01 0.00 -0.91 0.00 0.00 33.84 30.94 1k8h n VAL 99 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1k8h h GLN 100 N 0.00 -0.09 -0.05 5.55 1.08 -1.36 1.46 115.11 121.70 1k8h h GLN 100 Ca 0.00 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1k8h h GLN 100 Cb 0.00 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.39 1k8h h GLN 100 CO 0.00 -0.06 -0.52 0.93 -0.95 0.00 0.00 178.83 178.23 1k8h h GLU 101 N -0.09 -0.60 -0.56 1.46 5.08 -1.27 -2.46 114.58 116.13 1k8h h GLU 101 Ca -0.01 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1k8h h GLU 101 Cb 0.08 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.36 1k8h h GLU 101 CO -0.00 -0.40 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.29 1k8h h LYS 102 N -0.63 0.03 0.00 2.33 3.11 -1.33 -3.45 116.57 116.64 1k8h h LYS 102 Ca 0.03 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1k8h h LYS 102 Cb 0.70 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 1k8h h LYS 102 CO -0.38 0.02 0.00 0.41 -2.81 0.00 0.00 179.45 176.69 1k8h n GLY 103 N -1.38 -0.17 3.18 5.01 0.00 -0.85 -5.09 105.19 105.88 1k8h n GLY 103 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1k8h n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k8h s TYR 104 N 0.00 0.98 0.09 1.61 1.51 0.49 -4.50 117.35 117.52 1k8h s TYR 104 Ca 0.00 -1.21 0.02 0.00 -1.01 0.00 0.00 57.07 54.87 1k8h s TYR 104 Cb 0.00 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.27 1k8h s TYR 104 CO 0.00 -0.47 -0.07 0.99 -1.11 0.00 0.00 175.55 174.89 1k8h s THR 105 N -3.98 0.71 -0.14 -0.71 2.01 -0.97 -3.73 115.64 108.83 1k8h s THR 105 Ca 0.26 -1.71 0.01 0.00 0.31 0.00 0.00 61.69 60.56 1k8h s THR 105 Cb 0.07 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.17 1k8h s THR 105 CO 0.04 -0.72 -0.18 -0.63 -0.69 0.00 0.00 174.62 172.43 1k8h s ILE 106 N -2.96 2.43 0.07 1.82 1.01 -1.26 -2.42 121.20 119.89 1k8h s ILE 106 Ca 0.06 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1k8h s ILE 106 Cb 0.01 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1k8h s ILE 106 CO -0.03 0.53 -0.11 -0.63 0.00 0.00 0.00 174.94 174.70 1k8h s ILE 107 N 0.70 0.88 0.27 2.92 1.01 -1.03 -2.63 121.20 123.32 1k8h s ILE 107 Ca -0.08 -1.31 -0.29 0.00 0.00 0.00 0.00 60.65 58.97 1k8h s ILE 107 Cb -0.16 -0.98 -0.09 0.00 0.01 0.00 0.00 42.46 41.24 1k8h s ILE 107 CO 0.01 -0.35 0.98 -2.16 0.00 0.00 0.00 174.94 173.42 1k8h s PRO 108 N -1.92 4.73 0.00 2.79 0.04 -1.26 -0.97 135.00 138.40 1k8h s PRO 108 Ca -0.03 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1k8h s PRO 108 Cb -0.08 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1k8h s PRO 108 CO 0.01 0.38 0.00 -0.11 0.04 0.00 0.00 177.00 177.32 1k8h n LEU 109 N 1.17 0.00 -4.07 -3.56 -0.00 -0.58 -4.85 117.00 105.11 1k8h n LEU 109 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 1k8h n LEU 109 Cb 0.47 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.73 1k8h n LEU 109 CO 0.49 0.00 -0.50 -1.59 -0.00 0.00 0.00 177.39 175.79 1k8h s LYS 110 N 0.09 2.28 -0.12 1.96 -2.85 -1.25 -3.39 119.74 116.46 1k8h s LYS 110 Ca 0.00 -0.59 0.01 0.00 -1.00 0.00 0.00 55.97 54.40 1k8h s LYS 110 Cb 0.00 -1.90 0.02 0.00 -2.06 0.00 0.00 37.83 33.89 1k8h s LYS 110 CO 0.00 -0.03 -0.16 -0.48 0.10 0.00 0.00 175.35 174.78 1k8h s LEU 111 N 0.88 1.78 0.08 2.77 0.05 -1.00 -2.55 118.68 120.69 1k8h s LEU 111 Ca -0.09 -0.47 0.03 0.00 0.05 0.00 0.00 54.13 53.65 1k8h s LEU 111 Cb -0.15 -1.17 -0.03 0.00 -2.05 0.00 0.00 46.19 42.78 1k8h s LEU 111 CO 0.00 0.01 -0.09 -0.72 -0.55 0.00 0.00 176.35 175.00 1k8h s TYR 112 N 1.08 0.92 -0.20 3.48 -0.85 -0.91 -2.26 117.35 118.60 1k8h s TYR 112 Ca -0.04 -0.67 -0.05 0.00 -0.52 0.00 0.00 57.07 55.79 1k8h s TYR 112 Cb -0.14 -0.52 -0.02 0.00 0.38 0.00 0.00 41.96 41.65 1k8h s TYR 112 CO -0.04 -0.06 -0.00 1.67 -1.52 0.00 0.00 175.55 175.60 1k8h s TRP 113 N -2.40 3.04 0.11 -3.49 -2.14 -0.89 -1.84 118.94 111.31 1k8h s TRP 113 Ca 0.03 -0.48 0.07 0.00 2.66 0.00 0.00 56.10 58.38 1k8h s TRP 113 Cb -0.03 -2.09 -0.04 0.00 -3.10 0.00 0.00 33.47 28.21 1k8h s TRP 113 CO -0.01 -0.25 -0.10 -1.59 -2.66 0.00 0.00 176.95 172.34 1k8h s LYS 114 N 1.02 2.14 0.00 3.25 0.00 -0.67 -2.02 119.74 123.46 1k8h s LYS 114 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 55.97 54.97 1k8h s LYS 114 Cb -0.14 -2.31 0.00 0.00 0.00 0.00 0.00 37.83 35.37 1k8h s LYS 114 CO 0.02 0.51 0.00 -1.71 0.00 0.00 0.00 175.35 174.16 1k8h n ASN 115 N 0.68 0.00 0.00 0.03 5.15 -1.26 -2.61 115.26 117.25 1k8h n ASN 115 Ca -0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1k8h n ASN 115 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1k8h n ASN 115 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1k8h n ASN 116 N 2.45 0.00 -4.14 1.20 2.85 -1.26 -5.09 115.26 111.27 1k8h n ASN 116 Ca 0.00 -0.07 -0.09 0.00 -0.11 0.00 0.00 54.58 54.31 1k8h n ASN 116 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 1k8h n ASN 116 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1k8h s LYS 117 N 0.00 0.85 0.07 1.20 1.02 -1.07 -5.06 119.74 116.75 1k8h s LYS 117 Ca 0.00 -1.38 -0.25 0.00 0.02 0.00 0.00 55.97 54.36 1k8h s LYS 117 Cb 0.00 0.21 -0.06 0.00 -0.52 0.00 0.00 37.83 37.46 1k8h s LYS 117 CO 0.00 -0.21 0.75 0.14 -0.92 0.00 0.00 175.35 175.11 1k8h s VAL 118 N -4.00 4.66 -0.11 3.17 -7.23 -1.26 -1.67 120.40 113.96 1k8h s VAL 118 Ca 0.20 1.62 0.01 0.00 -1.81 0.00 0.00 61.98 61.99 1k8h s VAL 118 Cb 0.08 -4.10 0.02 0.00 0.56 0.00 0.00 36.38 32.93 1k8h s VAL 118 CO -0.01 0.41 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.51 1k8h s LYS 119 N -0.35 2.10 -0.14 4.82 1.02 -0.77 -0.60 119.74 125.82 1k8h s LYS 119 Ca 0.37 -0.51 -0.04 0.00 0.02 0.00 0.00 55.97 55.82 1k8h s LYS 119 Cb -0.21 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1k8h s LYS 119 CO 0.23 -0.11 -0.01 0.08 -0.92 0.00 0.00 175.35 174.62 1k8h s VAL 120 N 1.13 4.14 -0.24 3.17 1.01 -0.42 -2.15 120.40 127.04 1k8h s VAL 120 Ca -0.04 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1k8h s VAL 120 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1k8h s VAL 120 CO -0.03 0.52 0.21 -0.22 0.00 0.00 0.00 175.10 175.57 1k8h s LEU 121 N -0.01 4.12 -0.22 3.92 2.96 -1.06 -2.61 118.68 125.78 1k8h s LEU 121 Ca 0.02 0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1k8h s LEU 121 Cb -0.13 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 1k8h s LEU 121 CO 0.02 0.03 0.07 0.27 -1.32 0.00 0.00 176.35 175.42 1k8h s ILE 122 N 1.16 4.57 -0.24 6.68 -0.00 -1.11 -1.52 121.20 130.73 1k8h s ILE 122 Ca 0.10 -0.10 -0.11 0.00 -0.00 0.00 0.00 60.65 60.54 1k8h s ILE 122 Cb -0.14 -3.10 -0.05 0.00 -0.00 0.00 0.00 42.46 39.17 1k8h s ILE 122 CO 0.05 0.39 0.16 0.00 -0.00 0.00 0.00 174.94 175.55 1k8h s ALA 123 N 1.02 3.61 -0.23 2.27 0.00 -0.14 -2.06 121.76 126.24 1k8h s ALA 123 Ca 0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 1k8h s ALA 123 Cb -0.14 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1k8h s ALA 123 CO 0.03 -0.20 0.27 -0.51 0.00 0.00 0.00 175.76 175.35 1k8h s LEU 124 N 1.07 4.13 0.16 0.00 1.02 -0.07 -2.47 118.68 122.52 1k8h s LEU 124 Ca 0.08 0.28 0.04 0.00 0.02 0.00 0.00 54.13 54.55 1k8h s LEU 124 Cb -0.14 -2.29 -0.05 0.00 0.02 0.00 0.00 46.19 43.74 1k8h s LEU 124 CO 0.05 -0.01 -0.06 0.00 0.02 0.00 0.00 176.35 176.35 1k8h s ALA 125 N 1.22 1.47 0.15 4.21 0.00 -1.01 -2.09 121.76 125.71 1k8h s ALA 125 Ca 0.13 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.52 1k8h s ALA 125 Cb -0.14 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 1k8h s ALA 125 CO 0.06 -0.17 0.34 0.21 0.00 0.00 0.00 175.76 176.20 1k8h s LYS 126 N -3.80 3.53 -1.24 0.00 2.20 -1.03 -2.30 119.74 117.10 1k8h s LYS 126 Ca 0.20 -0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 55.42 1k8h s LYS 126 Cb 0.04 -2.89 0.19 0.00 -1.51 0.00 0.00 37.83 33.65 1k8h s LYS 126 CO 0.02 0.47 1.71 0.41 -0.36 0.00 0.00 175.35 177.61 1k8h n GLY 127 N -0.19 4.47 3.60 5.54 0.00 -1.26 -4.13 105.19 113.21 1k8h n GLY 127 Ca -0.04 -2.15 0.01 0.00 0.00 0.00 0.00 46.02 43.84 1k8h n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k8h s LYS 128 N 0.29 0.18 -0.21 1.61 1.02 -1.26 -5.15 119.74 116.22 1k8h s LYS 128 Ca 0.39 -0.09 -0.02 0.00 0.02 0.00 0.00 55.97 56.27 1k8h s LYS 128 Cb 0.06 0.07 -0.00 0.00 -0.52 0.00 0.00 37.83 37.43 1k8h s LYS 128 CO 0.01 -0.08 -0.08 0.15 -0.92 0.00 0.00 175.35 174.43 1k8h s LYS 129 N -2.21 3.29 0.29 1.68 1.02 -1.26 -4.69 119.74 117.86 1k8h s LYS 129 Ca 0.13 -0.68 -0.29 0.00 0.02 0.00 0.00 55.97 55.16 1k8h s LYS 129 Cb 0.04 -2.89 -0.09 0.00 -0.52 0.00 0.00 37.83 34.37 1k8h s LYS 129 CO -0.05 -0.18 1.09 -0.51 -0.92 0.00 0.00 175.35 174.79 1k8h s LEU 130 N 1.38 4.52 -0.04 3.17 1.43 -1.26 -4.97 118.68 122.90 1k8h s LEU 130 Ca 0.05 2.25 -0.16 0.00 -1.03 0.00 0.00 54.13 55.24 1k8h s LEU 130 Cb -0.14 -3.68 -0.31 0.00 0.03 0.00 0.00 46.19 42.09 1k8h s LEU 130 CO -0.05 -0.17 0.77 0.22 0.23 0.00 0.00 176.35 177.35 1k8h h TYR 131 N 3.70 0.68 -1.34 0.29 5.03 -2.09 -3.49 116.97 119.75 1k8h h TYR 131 Ca -0.47 -0.50 0.28 0.00 2.58 0.00 0.00 58.73 60.62 1k8h h TYR 131 Cb 1.21 -0.03 -0.19 0.00 1.55 0.00 0.00 36.73 39.27 1k8h h TYR 131 CO 0.59 1.54 0.87 0.34 -1.32 0.00 0.00 178.16 180.17 1k8h s ASP 132 N -7.24 -0.09 0.00 -2.11 2.15 -1.26 -5.38 116.67 102.74 1k8h s ASP 132 Ca -0.15 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.83 1k8h s ASP 132 Cb 0.04 0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 1k8h s ASP 132 CO 0.85 -0.17 0.00 -2.11 -0.17 0.00 0.00 175.17 173.57