#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8e s VAL 4 N 0.00 2.05 -0.20 1.97 1.01 -0.11 -1.50 120.40 123.63 3k8e s VAL 4 Ca 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 61.98 60.76 3k8e s VAL 4 Cb 0.00 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 3k8e s VAL 4 CO 0.00 0.51 -0.06 -0.69 0.00 0.00 0.00 175.10 174.86 3k8e s VAL 5 N -0.67 3.38 -0.20 2.92 1.01 0.44 -0.73 120.40 126.56 3k8e s VAL 5 Ca 0.10 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3k8e s VAL 5 Cb -0.10 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3k8e s VAL 5 CO -0.00 0.45 0.01 -0.63 0.00 0.00 0.00 175.10 174.93 3k8e s ILE 6 N 1.15 4.02 -0.45 2.22 1.01 -0.71 -0.37 121.20 128.08 3k8e s ILE 6 Ca 0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 3k8e s ILE 6 Cb -0.14 -2.83 0.12 0.00 0.01 0.00 0.00 42.46 39.62 3k8e s ILE 6 CO -0.01 0.42 0.30 -0.63 0.00 0.00 0.00 174.94 175.02 3k8e s ILE 7 N 1.03 3.89 -0.96 2.92 1.01 0.90 -2.41 121.20 127.58 3k8e s ILE 7 Ca 0.02 -1.88 -0.24 0.00 0.00 0.00 0.00 60.65 58.55 3k8e s ILE 7 Cb -0.14 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.76 3k8e s ILE 7 CO 0.02 -0.75 1.49 -2.16 0.00 0.00 0.00 174.94 173.54 3k8e s PRO 8 N 1.29 3.40 -0.19 2.79 0.04 -1.26 -1.26 135.00 139.81 3k8e s PRO 8 Ca 0.07 -0.86 -0.29 0.00 0.04 0.00 0.00 61.00 59.95 3k8e s PRO 8 Cb -0.25 -5.14 -0.04 0.00 0.04 0.00 0.00 34.50 29.11 3k8e s PRO 8 CO -0.02 -2.34 1.75 0.00 0.04 0.00 0.00 177.00 176.42 3k8e s ALA 9 N 5.75 3.23 -0.17 8.56 0.00 -0.87 -4.27 121.76 133.99 3k8e s ALA 9 Ca 0.48 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.89 3k8e s ALA 9 Cb -0.02 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 3k8e s ALA 9 CO -0.05 -2.02 0.46 0.50 0.00 0.00 0.00 175.76 174.65 3k8e s ARG 10 N 4.89 4.24 -0.23 0.00 3.52 -1.26 -4.67 118.95 125.44 3k8e s ARG 10 Ca 0.78 0.35 -0.19 0.00 -0.13 0.00 0.00 55.73 56.54 3k8e s ARG 10 Cb -0.28 -3.50 -0.17 0.00 -1.56 0.00 0.00 34.95 29.43 3k8e s ARG 10 CO 0.32 0.01 0.06 0.98 -0.81 0.00 0.00 175.30 175.86 3k8e n TYR 11 N 4.24 0.74 -2.31 5.12 4.19 -1.26 -4.36 117.16 123.52 3k8e n TYR 11 Ca -0.07 0.31 -0.35 0.00 3.31 0.00 0.00 57.90 61.10 3k8e n TYR 11 Cb 0.51 -1.08 -0.01 0.00 0.49 0.00 0.00 39.34 39.26 3k8e n TYR 11 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3k8e s ALA 12 N -2.41 2.73 0.00 2.98 0.00 -1.26 -3.46 121.76 120.34 3k8e s ALA 12 Ca -0.31 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3k8e s ALA 12 Cb 0.08 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3k8e s ALA 12 CO 0.57 -0.67 0.00 0.45 0.00 0.00 0.00 175.76 176.11 3k8e n SER 13 N -1.26 0.00 -4.74 0.00 2.88 -1.26 -4.97 113.62 104.27 3k8e n SER 13 Ca 0.11 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.35 3k8e n SER 13 Cb 0.51 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.09 3k8e n SER 13 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3k8e s THR 14 N 0.00 2.96 0.00 2.46 2.01 -1.26 -3.46 115.64 118.35 3k8e s THR 14 Ca 0.00 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.31 3k8e s THR 14 Cb 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.74 3k8e s THR 14 CO 0.00 -0.41 0.00 -2.11 -0.69 0.00 0.00 174.62 171.41 3k8e n ARG 15 N -3.73 0.00 -3.87 4.92 1.85 -1.26 -4.68 116.66 109.89 3k8e n ARG 15 Ca 0.08 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.64 3k8e n ARG 15 Cb 0.54 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.84 3k8e n ARG 15 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3k8e s LEU 16 N 0.00 4.93 0.00 2.89 1.43 -1.25 -4.73 118.68 121.94 3k8e s LEU 16 Ca 0.00 -3.85 0.00 0.00 -1.03 0.00 0.00 54.13 49.25 3k8e s LEU 16 Cb 0.00 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3k8e s LEU 16 CO 0.00 -0.10 0.23 -2.65 0.23 0.00 0.00 176.35 174.06 3k8e n PRO 17 N 2.01 0.00 -1.22 1.29 -0.02 -1.22 -2.76 135.00 133.08 3k8e n PRO 17 Ca 0.20 0.23 -0.19 0.00 -2.02 0.00 0.00 63.50 61.71 3k8e n PRO 17 Cb 0.35 -0.61 -0.08 0.00 -0.02 0.00 0.00 33.50 33.14 3k8e n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k8e n GLY 18 N -0.52 3.77 0.29 -1.23 0.00 -1.26 -4.38 105.19 101.86 3k8e n GLY 18 Ca 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 3k8e n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k8e n LYS 19 N 1.41 -0.29 0.26 1.61 4.81 -1.11 0.08 118.16 124.93 3k8e n LYS 19 Ca 0.43 1.06 0.09 0.00 -0.87 0.00 0.00 58.31 59.01 3k8e n LYS 19 Cb 0.68 -1.56 0.68 0.00 0.02 0.00 0.00 35.03 34.85 3k8e n LYS 19 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3k8e h PRO 20 N 0.00 0.00 -0.03 1.64 0.11 -1.84 -2.40 132.00 129.48 3k8e h PRO 20 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3k8e h PRO 20 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3k8e h PRO 20 CO -0.66 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 178.42 3k8e n LEU 21 N -4.42 1.63 -4.73 2.35 4.32 0.11 -1.26 117.00 115.01 3k8e n LEU 21 Ca -0.03 -0.55 -0.42 0.00 -0.02 0.00 0.00 56.01 54.99 3k8e n LEU 21 Cb 0.10 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 41.86 3k8e n LEU 21 CO 0.33 0.28 1.21 -0.69 -1.22 0.00 0.00 177.39 177.30 3k8e s VAL 22 N -1.99 2.56 0.04 4.08 1.01 -0.90 -4.66 120.40 120.54 3k8e s VAL 22 Ca 0.37 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 3k8e s VAL 22 Cb 0.21 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 3k8e s VAL 22 CO 0.33 0.04 1.21 -0.62 0.00 0.00 0.00 175.10 176.06 3k8e s ASP 23 N 0.93 7.06 -0.40 3.32 2.15 -1.26 -1.64 116.67 126.83 3k8e s ASP 23 Ca 0.67 1.99 0.03 0.00 0.43 0.00 0.00 52.55 55.67 3k8e s ASP 23 Cb -0.44 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 39.72 3k8e s ASP 23 CO 0.35 -0.50 0.15 -0.63 -0.17 0.00 0.00 175.17 174.36 3k8e s ILE 24 N 1.33 1.97 -1.33 4.11 1.01 0.56 -4.87 121.20 123.98 3k8e s ILE 24 Ca 0.59 -2.48 -0.01 0.00 0.00 0.00 0.00 60.65 58.74 3k8e s ILE 24 Cb -0.29 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.76 3k8e s ILE 24 CO 0.28 -0.72 0.60 0.59 0.00 0.00 0.00 174.94 175.69 3k8e n ASN 25 N 3.92 -1.07 0.00 3.58 3.02 -1.26 -3.03 115.26 120.42 3k8e n ASN 25 Ca 0.04 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3k8e n ASN 25 Cb 0.38 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 3k8e n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k8e n GLY 26 N -1.72 1.71 3.24 7.41 0.00 -1.26 -5.05 105.19 109.52 3k8e n GLY 26 Ca -0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 3k8e n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k8e s LYS 27 N -0.92 1.00 0.39 1.61 1.02 -1.17 -5.13 119.74 116.55 3k8e s LYS 27 Ca 0.00 -1.11 -0.25 0.00 0.02 0.00 0.00 55.97 54.62 3k8e s LYS 27 Cb 0.00 -1.09 -0.09 0.00 -0.52 0.00 0.00 37.83 36.13 3k8e s LYS 27 CO 0.00 0.24 1.14 -1.25 -0.92 0.00 0.00 175.35 174.56 3k8e s PRO 28 N -2.04 4.13 0.28 -1.68 0.04 -1.26 -0.33 135.00 134.15 3k8e s PRO 28 Ca 0.04 1.78 0.01 0.00 0.04 0.00 0.00 61.00 62.87 3k8e s PRO 28 Cb -0.09 -2.70 0.68 0.00 0.04 0.00 0.00 34.50 32.43 3k8e s PRO 28 CO 0.03 -0.24 1.64 1.98 0.04 0.00 0.00 177.00 180.45 3k8e h MET 29 N 2.72 0.17 -0.84 4.56 1.85 -1.06 0.16 114.93 122.49 3k8e h MET 29 Ca -0.48 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 58.64 3k8e h MET 29 Cb 1.23 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 33.17 3k8e h MET 29 CO 0.63 0.11 0.53 0.97 -0.40 0.00 0.00 176.91 178.75 3k8e h ILE 30 N 0.17 1.09 -0.26 1.77 6.09 -1.41 -1.75 117.51 123.21 3k8e h ILE 30 Ca 0.54 -0.34 -0.05 0.00 -1.37 0.00 0.00 64.86 63.63 3k8e h ILE 30 Cb 1.08 0.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.35 3k8e h ILE 30 CO -0.68 0.18 -0.07 0.58 -3.07 0.00 0.00 178.15 175.09 3k8e h VAL 31 N 1.00 1.20 -0.58 2.19 2.07 -0.97 -0.79 116.25 120.37 3k8e h VAL 31 Ca 0.35 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3k8e h VAL 31 Cb 0.08 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3k8e h VAL 31 CO -0.14 0.27 0.26 0.45 0.02 0.00 0.00 177.57 178.44 3k8e h HIS 32 N 0.40 0.86 -0.26 1.57 3.86 -0.97 0.35 115.15 120.95 3k8e h HIS 32 Ca 0.08 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 3k8e h HIS 32 Cb 0.38 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 3k8e h HIS 32 CO 0.01 0.67 -0.11 0.28 0.86 0.00 0.00 177.93 179.64 3k8e h VAL 33 N 0.80 1.21 -0.14 2.45 2.07 -0.69 -1.66 116.25 120.29 3k8e h VAL 33 Ca 0.20 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.81 3k8e h VAL 33 Cb 0.15 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3k8e h VAL 33 CO -0.02 0.30 0.02 0.25 0.02 0.00 0.00 177.57 178.14 3k8e h LEU 34 N 0.40 -0.01 -0.71 2.57 5.85 -0.72 -1.90 115.31 120.79 3k8e h LEU 34 Ca 0.08 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.90 3k8e h LEU 34 Cb 0.44 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.40 3k8e h LEU 34 CO 0.02 0.02 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.28 3k8e h GLU 35 N 0.08 -0.18 -0.12 1.25 3.07 0.01 -2.11 114.58 116.57 3k8e h GLU 35 Ca 0.06 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.95 3k8e h GLU 35 Cb 0.06 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3k8e h GLU 35 CO -0.09 -0.12 0.01 0.00 -1.40 0.00 0.00 179.01 177.41 3k8e h ARG 36 N -0.19 0.06 -0.77 2.33 2.47 -1.24 -2.44 114.38 114.60 3k8e h ARG 36 Ca 0.15 -0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.95 3k8e h ARG 36 Cb 0.52 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.76 3k8e h ARG 36 CO -0.77 0.04 0.42 0.00 0.56 0.00 0.00 179.97 180.21 3k8e h ALA 37 N 1.09 1.08 -0.74 0.04 0.00 -1.14 -1.69 119.26 117.91 3k8e h ALA 37 Ca 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k8e h ALA 37 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3k8e h ALA 37 CO -0.08 0.04 0.45 0.00 0.00 0.00 0.00 179.25 179.65 3k8e h ARG 38 N 0.71 1.00 0.00 0.00 3.08 -0.96 -1.86 114.38 116.35 3k8e h ARG 38 Ca 0.37 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 3k8e h ARG 38 Cb 0.35 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3k8e h ARG 38 CO -0.25 0.71 -0.06 0.93 -1.07 0.00 0.00 179.97 180.22 3k8e h GLU 39 N 1.01 0.00 0.00 0.04 5.08 -0.89 -2.09 114.58 117.73 3k8e h GLU 39 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3k8e h GLU 39 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3k8e h GLU 39 CO -0.05 0.06 0.00 -1.13 -1.00 0.00 0.00 179.01 176.89 3k8e n SER 40 N -3.40 0.53 0.00 1.42 3.41 -0.70 -4.88 113.62 110.00 3k8e n SER 40 Ca -0.02 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3k8e n SER 40 Cb 0.21 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 3k8e n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k8e n GLY 41 N 0.17 0.74 3.62 5.00 0.00 -0.78 -4.69 105.19 109.25 3k8e n GLY 41 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3k8e n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8e n ALA 42 N -0.38 0.28 0.02 4.61 0.00 -1.25 -4.89 120.51 118.91 3k8e n ALA 42 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.51 3k8e n ALA 42 Cb 0.00 -2.12 -0.09 0.00 0.00 0.00 0.00 19.45 17.24 3k8e n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3k8e n GLU 43 N -0.65 0.63 -4.49 0.00 0.28 -0.56 -4.84 120.64 111.00 3k8e n GLU 43 Ca 0.12 0.20 -0.20 0.00 -0.16 0.00 0.00 57.16 57.11 3k8e n GLU 43 Cb 0.45 -1.78 -0.15 0.00 1.43 0.00 0.00 31.44 31.39 3k8e n GLU 43 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3k8e s ARG 44 N -2.91 0.91 -0.28 3.44 1.81 -1.26 -5.06 118.95 115.59 3k8e s ARG 44 Ca -0.04 -0.40 -0.00 0.00 -1.72 0.00 0.00 55.73 53.57 3k8e s ARG 44 Cb 0.09 -0.88 0.09 0.00 -0.45 0.00 0.00 34.95 33.80 3k8e s ARG 44 CO 0.82 0.24 0.06 0.42 -0.68 0.00 0.00 175.30 176.15 3k8e s ILE 45 N -0.25 1.08 -0.22 1.52 1.01 -1.25 -0.42 121.20 122.66 3k8e s ILE 45 Ca 0.04 -1.33 -0.04 0.00 0.00 0.00 0.00 60.65 59.32 3k8e s ILE 45 Cb -0.04 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 3k8e s ILE 45 CO -0.00 -0.50 -0.03 -0.63 0.00 0.00 0.00 174.94 173.78 3k8e s ILE 46 N 1.54 3.42 -0.11 2.92 1.01 0.51 -3.95 121.20 126.54 3k8e s ILE 46 Ca 0.06 -0.49 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 3k8e s ILE 46 Cb -0.18 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 3k8e s ILE 46 CO -0.17 0.41 0.80 -0.69 0.00 0.00 0.00 174.94 175.28 3k8e s VAL 47 N 1.48 4.94 -0.24 2.92 1.01 -0.93 -0.07 120.40 129.51 3k8e s VAL 47 Ca 0.06 1.61 -0.08 0.00 0.00 0.00 0.00 61.98 63.57 3k8e s VAL 47 Cb -0.14 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3k8e s VAL 47 CO -0.03 0.12 0.10 0.00 0.00 0.00 0.00 175.10 175.29 3k8e s ALA 48 N 1.55 3.29 0.08 5.51 0.00 -0.39 -1.75 121.76 130.05 3k8e s ALA 48 Ca 0.40 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 51.07 3k8e s ALA 48 Cb -0.17 -2.13 0.06 0.00 0.00 0.00 0.00 23.12 20.87 3k8e s ALA 48 CO 0.16 -0.36 0.58 -0.08 0.00 0.00 0.00 175.76 176.06 3k8e s THR 49 N 1.38 0.01 -0.26 0.00 -1.32 -1.12 -2.05 115.64 112.29 3k8e s THR 49 Ca 0.06 -0.11 0.10 0.00 -1.21 0.00 0.00 61.69 60.53 3k8e s THR 49 Cb -0.15 -1.00 0.47 0.00 -1.51 0.00 0.00 72.50 70.31 3k8e s THR 49 CO 0.05 -0.06 1.35 -0.90 -2.21 0.00 0.00 174.62 172.85 3k8e n ASP 50 N 0.14 2.20 -4.01 8.08 5.75 -1.26 -1.98 116.55 125.48 3k8e n ASP 50 Ca -0.18 -3.85 -0.29 0.00 -0.01 0.00 0.00 54.79 50.47 3k8e n ASP 50 Cb 0.62 -0.58 -0.17 0.00 -1.03 0.00 0.00 41.12 39.96 3k8e n ASP 50 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3k8e s HIS 51 N -3.26 1.94 0.14 2.11 3.76 -1.26 -4.99 115.29 113.73 3k8e s HIS 51 Ca 0.42 -1.01 -0.18 0.00 -0.15 0.00 0.00 55.06 54.14 3k8e s HIS 51 Cb 0.39 -1.45 -0.00 0.00 1.11 0.00 0.00 32.58 32.63 3k8e s HIS 51 CO -0.03 -0.57 1.77 0.93 -0.85 0.00 0.00 174.74 175.99 3k8e h GLU 52 N 7.85 0.31 -0.99 1.40 4.39 -1.99 -2.26 114.58 123.29 3k8e h GLU 52 Ca -0.34 -0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.47 3k8e h GLU 52 Cb 1.15 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.64 3k8e h GLU 52 CO 0.49 0.20 0.62 0.38 -1.16 0.00 0.00 179.01 179.55 3k8e h ASP 53 N 0.32 0.89 -0.25 1.42 2.03 -2.00 0.46 116.42 119.28 3k8e h ASP 53 Ca 0.12 0.05 -0.06 0.00 -0.73 0.00 0.00 57.03 56.41 3k8e h ASP 53 Cb 0.03 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 3k8e h ASP 53 CO -0.08 0.46 -0.08 0.58 -1.03 0.00 0.00 179.24 179.09 3k8e h VAL 54 N 0.94 1.29 -0.64 4.15 2.07 -1.95 -2.81 116.25 119.30 3k8e h VAL 54 Ca 0.50 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.97 3k8e h VAL 54 Cb 0.55 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 3k8e h VAL 54 CO -0.27 0.35 0.34 0.00 0.02 0.00 0.00 177.57 178.01 3k8e h ALA 55 N 0.75 0.86 -0.09 1.67 0.00 -0.57 -1.66 119.26 120.22 3k8e h ALA 55 Ca 0.06 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3k8e h ALA 55 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3k8e h ALA 55 CO 0.03 0.01 -0.33 0.00 0.00 0.00 0.00 179.25 178.96 3k8e h ARG 56 N 0.64 0.17 -0.18 0.00 3.08 -0.96 -1.96 114.38 115.17 3k8e h ARG 56 Ca 0.29 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 3k8e h ARG 56 Cb 0.20 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3k8e h ARG 56 CO -0.19 0.49 -0.08 0.00 -1.07 0.00 0.00 179.97 179.12 3k8e h ALA 57 N 1.51 0.25 -0.42 0.04 0.00 -1.09 -1.16 119.26 118.39 3k8e h ALA 57 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3k8e h ALA 57 Cb 0.66 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3k8e h ALA 57 CO 0.05 0.06 0.19 0.28 0.00 0.00 0.00 179.25 179.82 3k8e h VAL 58 N 0.06 1.19 -0.60 0.00 2.07 -1.28 -2.88 116.25 114.81 3k8e h VAL 58 Ca 0.04 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 3k8e h VAL 58 Cb 0.55 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3k8e h VAL 58 CO 0.02 0.21 0.07 -0.33 0.02 0.00 0.00 177.57 177.56 3k8e h GLU 59 N 0.54 1.00 -0.60 1.57 5.08 -1.37 0.11 114.58 120.90 3k8e h GLU 59 Ca 0.14 -0.27 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3k8e h GLU 59 Cb 0.15 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3k8e h GLU 59 CO -0.02 0.94 0.40 0.00 -1.00 0.00 0.00 179.01 179.33 3k8e h ALA 60 N 1.14 1.84 -0.00 3.43 0.00 -1.16 0.03 119.26 124.53 3k8e h ALA 60 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k8e h ALA 60 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3k8e h ALA 60 CO 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.31 3k8e n ALA 61 N -2.48 2.66 -0.63 0.00 0.00 -0.90 -4.92 120.51 114.23 3k8e n ALA 61 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3k8e n ALA 61 Cb 0.26 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3k8e n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8e n GLY 62 N 1.07 0.68 3.90 0.00 0.00 -0.00 -5.07 105.19 105.77 3k8e n GLY 62 Ca 0.22 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3k8e n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k8e s GLY 63 N -2.58 2.23 0.25 -0.02 0.00 0.34 -4.96 107.32 102.58 3k8e s GLY 63 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.77 3k8e s GLY 63 CO 0.00 -0.56 1.00 1.85 0.00 0.00 0.00 173.10 175.40 3k8e s GLU 64 N -2.35 4.77 0.02 2.90 2.12 -1.25 -3.84 118.70 121.08 3k8e s GLU 64 Ca 0.35 1.61 0.05 0.00 0.36 0.00 0.00 54.97 57.34 3k8e s GLU 64 Cb -0.13 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 3k8e s GLU 64 CO 0.23 0.39 -0.15 0.08 -0.54 0.00 0.00 175.26 175.27 3k8e s VAL 65 N -1.11 1.20 -0.18 3.70 1.01 -1.26 -2.19 120.40 121.58 3k8e s VAL 65 Ca 0.43 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3k8e s VAL 65 Cb -0.28 -1.06 0.04 0.00 0.00 0.00 0.00 36.38 35.08 3k8e s VAL 65 CO 0.35 0.14 -0.08 0.00 0.00 0.00 0.00 175.10 175.51 3k8e s MET 67 N 1.54 4.52 0.24 0.00 -1.94 -1.26 -2.81 119.30 119.59 3k8e s MET 67 Ca 0.00 1.51 0.09 0.00 -1.71 0.00 0.00 55.69 55.58 3k8e s MET 67 Cb -0.15 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.21 3k8e s MET 67 CO -0.08 -0.11 0.01 0.95 -0.01 0.00 0.00 175.02 175.78 3k8e s THR 68 N 1.04 3.58 -0.05 2.05 -4.23 -0.84 -4.94 115.64 112.25 3k8e s THR 68 Ca 0.54 -1.75 -0.06 0.00 -1.18 0.00 0.00 61.69 59.25 3k8e s THR 68 Cb -0.23 -2.88 -0.28 0.00 1.34 0.00 0.00 72.50 70.44 3k8e s THR 68 CO 0.28 -0.30 0.67 0.08 -0.54 0.00 0.00 174.62 174.81 3k8e h ARG 69 N 2.09 0.29 0.00 3.99 0.11 -1.96 -3.39 114.38 115.51 3k8e h ARG 69 Ca -0.45 -0.49 -0.10 0.00 0.10 0.00 0.00 59.98 59.03 3k8e h ARG 69 Cb 1.24 0.18 -0.09 0.00 1.11 0.00 0.00 29.97 32.41 3k8e h ARG 69 CO 0.59 1.16 -0.16 0.45 0.10 0.00 0.00 179.97 182.12 3k8e n SER 74 N -3.48 -0.91 0.00 0.08 2.88 -1.26 -4.88 113.62 106.06 3k8e n SER 74 Ca -0.23 -1.75 0.00 0.00 -1.33 0.00 0.00 58.87 55.56 3k8e n SER 74 Cb 1.06 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 3k8e n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k8e n GLY 75 N -0.93 2.12 0.36 0.46 0.00 -1.26 -3.89 105.19 102.05 3k8e n GLY 75 Ca -0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 3k8e n GLY 75 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3k8e h THR 76 N 0.00 1.21 -0.25 2.61 2.02 -2.02 -1.92 112.91 114.56 3k8e h THR 76 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3k8e h THR 76 Cb 0.00 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.35 3k8e h THR 76 CO 0.00 0.21 0.17 -0.33 0.37 0.00 0.00 175.52 175.94 3k8e h GLU 77 N 1.16 0.33 -0.51 6.66 5.08 -1.99 -0.51 114.58 124.81 3k8e h GLU 77 Ca 0.32 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.57 3k8e h GLU 77 Cb -0.11 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3k8e h GLU 77 CO -0.07 0.22 -0.05 0.00 -1.00 0.00 0.00 179.01 178.11 3k8e h ARG 78 N 0.34 0.90 -0.49 2.33 3.08 -1.64 -1.94 114.38 116.96 3k8e h ARG 78 Ca 0.09 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 3k8e h ARG 78 Cb -0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3k8e h ARG 78 CO -0.02 0.92 0.01 -0.07 -1.07 0.00 0.00 179.97 179.74 3k8e h LEU 79 N 0.82 0.79 -0.99 3.04 4.07 -1.05 -2.23 115.31 119.76 3k8e h LEU 79 Ca 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 3k8e h LEU 79 Cb 0.55 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.04 3k8e h LEU 79 CO 0.03 0.85 0.55 0.00 -1.08 0.00 0.00 178.44 178.79 3k8e h ALA 80 N 1.24 1.25 -0.35 1.53 0.00 -0.73 0.41 119.26 122.61 3k8e h ALA 80 Ca 0.15 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3k8e h ALA 80 Cb 0.45 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3k8e h ALA 80 CO 0.02 0.65 -0.05 1.49 0.00 0.00 0.00 179.25 181.35 3k8e h GLU 81 N 1.26 0.64 -0.68 0.00 4.81 -1.02 -1.11 114.58 118.49 3k8e h GLU 81 Ca 0.33 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3k8e h GLU 81 Cb -0.05 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3k8e h GLU 81 CO -0.06 0.79 0.27 0.28 -0.73 0.00 0.00 179.01 179.57 3k8e h VAL 82 N 0.44 1.24 -0.76 0.32 2.07 -1.16 0.54 116.25 118.94 3k8e h VAL 82 Ca 0.09 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3k8e h VAL 82 Cb 0.54 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3k8e h VAL 82 CO 0.03 0.30 0.47 0.58 0.02 0.00 0.00 177.57 178.97 3k8e h VAL 83 N 0.96 1.21 -0.03 2.57 2.07 -0.60 0.55 116.25 122.98 3k8e h VAL 83 Ca 0.23 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3k8e h VAL 83 Cb 0.20 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3k8e h VAL 83 CO -0.02 0.22 -0.08 -0.33 0.02 0.00 0.00 177.57 177.37 3k8e h GLU 84 N 1.05 0.11 -0.26 1.57 4.39 -0.83 -2.39 114.58 118.21 3k8e h GLU 84 Ca 0.28 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 3k8e h GLU 84 Cb -0.06 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3k8e h GLU 84 CO -0.05 0.68 0.09 0.87 -1.16 0.00 0.00 179.01 179.44 3k8e h LYS 85 N -0.44 0.36 0.00 2.33 1.57 -0.72 -2.02 116.57 117.65 3k8e h LYS 85 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3k8e h LYS 85 Cb 0.69 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3k8e h LYS 85 CO 0.02 0.31 -0.36 0.00 -0.57 0.00 0.00 179.45 178.85 3k8e n ALA 87 N -1.63 -1.46 -1.77 0.00 0.00 -0.76 -4.95 120.51 109.95 3k8e n ALA 87 Ca 0.05 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 3k8e n ALA 87 Cb 0.38 -4.11 -0.00 0.00 0.00 0.00 0.00 19.45 15.71 3k8e n ALA 87 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k8e s PHE 88 N -3.38 2.77 0.60 0.00 0.08 -1.19 -5.01 117.98 111.86 3k8e s PHE 88 Ca 0.50 1.41 -0.18 0.00 0.12 0.00 0.00 56.93 58.78 3k8e s PHE 88 Cb -0.25 -3.66 -0.03 0.00 -0.57 0.00 0.00 43.02 38.52 3k8e s PHE 88 CO 0.81 -2.12 1.19 -1.54 -0.10 0.00 0.00 175.22 173.46 3k8e s SER 89 N -0.81 5.17 0.40 1.36 1.04 -1.26 -4.92 113.70 114.67 3k8e s SER 89 Ca 0.59 2.33 0.19 0.00 0.48 0.00 0.00 55.95 59.54 3k8e s SER 89 Cb -0.37 -2.59 1.11 0.00 0.10 0.00 0.00 66.02 64.26 3k8e s SER 89 CO 0.48 -1.61 1.77 0.44 0.98 0.00 0.00 173.24 175.30 3k8e h ASP 90 N 0.77 0.44 -0.18 7.02 3.32 -1.94 -0.86 116.42 124.98 3k8e h ASP 90 Ca -0.50 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3k8e h ASP 90 Cb 1.29 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3k8e h ASP 90 CO 0.55 0.08 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 3k8e n ASP 91 N -4.63 1.58 -4.71 6.45 3.85 -1.26 -0.60 116.55 117.23 3k8e n ASP 91 Ca 0.26 -1.73 -0.42 0.00 -0.71 0.00 0.00 54.79 52.18 3k8e n ASP 91 Cb 0.89 -0.12 -0.03 0.00 -1.35 0.00 0.00 41.12 40.52 3k8e n ASP 91 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3k8e s THR 92 N -1.77 2.85 -0.06 2.12 2.01 -0.33 -4.79 115.64 115.67 3k8e s THR 92 Ca 0.31 0.52 -0.28 0.00 0.31 0.00 0.00 61.69 62.54 3k8e s THR 92 Cb 0.16 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 3k8e s THR 92 CO 0.24 0.03 0.93 -0.69 -0.69 0.00 0.00 174.62 174.44 3k8e s VAL 93 N 1.66 4.87 -0.07 3.82 1.01 -1.26 -0.49 120.40 129.94 3k8e s VAL 93 Ca 0.71 1.92 0.04 0.00 0.00 0.00 0.00 61.98 64.65 3k8e s VAL 93 Cb -0.41 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.71 3k8e s VAL 93 CO 0.31 0.11 -0.19 -0.63 0.00 0.00 0.00 175.10 174.71 3k8e s ILE 94 N 1.39 1.65 -0.13 2.22 -1.09 0.51 -0.93 121.20 124.81 3k8e s ILE 94 Ca 0.47 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 3k8e s ILE 94 Cb -0.19 -1.44 -0.01 0.00 -1.58 0.00 0.00 42.46 39.24 3k8e s ILE 94 CO 0.22 0.47 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.56 3k8e s VAL 95 N 0.34 2.86 -0.40 2.92 1.01 0.09 -0.90 120.40 126.31 3k8e s VAL 95 Ca -0.13 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 3k8e s VAL 95 Cb -0.16 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3k8e s VAL 95 CO 0.06 0.53 0.48 0.21 0.00 0.00 0.00 175.10 176.37 3k8e s ASN 96 N 0.42 6.23 -0.21 3.32 3.84 0.35 -1.73 114.94 127.17 3k8e s ASN 96 Ca -0.11 -0.47 -0.04 0.00 0.21 0.00 0.00 52.86 52.45 3k8e s ASN 96 Cb -0.16 -2.24 -0.02 0.00 -0.55 0.00 0.00 41.25 38.28 3k8e s ASN 96 CO 0.05 -0.57 -0.02 -0.69 -2.79 0.00 0.00 177.10 173.08 3k8e s VAL 97 N 2.28 3.70 0.46 -5.21 1.01 -1.01 -3.19 120.40 118.44 3k8e s VAL 97 Ca 0.15 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 3k8e s VAL 97 Cb -0.16 -2.67 -0.08 0.00 0.00 0.00 0.00 36.38 33.47 3k8e s VAL 97 CO 0.14 0.43 1.35 -1.10 0.00 0.00 0.00 175.10 175.92 3k8e s GLN 98 N 1.18 3.65 0.00 2.72 -0.21 -1.26 -4.03 119.66 121.71 3k8e s GLN 98 Ca 0.03 2.25 0.14 0.00 0.02 0.00 0.00 55.36 57.79 3k8e s GLN 98 Cb -0.15 -2.57 0.69 0.00 1.00 0.00 0.00 33.01 31.98 3k8e s GLN 98 CO 0.00 -0.79 1.46 0.41 -2.12 0.00 0.00 175.29 174.26 3k8e n GLY 99 N 0.63 -0.53 1.69 3.09 0.00 -1.26 -3.19 105.19 105.62 3k8e n GLY 99 Ca 0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 3k8e n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k8e n ASP 100 N -0.33 4.12 -3.43 1.61 5.75 -1.26 -4.51 116.55 118.50 3k8e n ASP 100 Ca 0.11 -3.34 -0.27 0.00 -0.01 0.00 0.00 54.79 51.28 3k8e n ASP 100 Cb 0.13 -0.70 -0.08 0.00 -1.03 0.00 0.00 41.12 39.44 3k8e n ASP 100 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3k8e n GLU 101 N -0.52 2.18 0.17 0.11 1.02 -1.19 -0.74 120.64 121.67 3k8e n GLU 101 Ca 0.39 -4.43 0.13 0.00 -0.02 0.00 0.00 57.16 53.23 3k8e n GLU 101 Cb 1.28 -2.10 0.55 0.00 -0.02 0.00 0.00 31.44 31.15 3k8e n GLU 101 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3k8e h PRO 102 N 4.27 0.00 -0.33 3.49 0.13 -1.87 -2.59 132.00 135.10 3k8e h PRO 102 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3k8e h PRO 102 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3k8e h PRO 102 CO 0.77 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.21 3k8e n MET 103 N -2.46 2.90 -1.71 0.86 2.81 -1.26 -4.51 117.12 113.75 3k8e n MET 103 Ca 0.02 -2.26 -0.43 0.00 -1.81 0.00 0.00 57.70 53.22 3k8e n MET 103 Cb 0.24 -1.42 -0.03 0.00 -0.71 0.00 0.00 33.22 31.30 3k8e n MET 103 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 3k8e n ILE 104 N 0.27 0.11 -2.02 2.02 3.06 -0.98 -4.74 119.36 117.08 3k8e n ILE 104 Ca 0.14 -0.02 -0.42 0.00 -2.50 0.00 0.00 62.75 59.95 3k8e n ILE 104 Cb 0.55 -1.99 -0.03 0.00 0.54 0.00 0.00 39.64 38.71 3k8e n ILE 104 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 3k8e s PRO 105 N 1.62 4.26 0.54 9.51 0.02 -1.26 -4.85 135.00 144.84 3k8e s PRO 105 Ca 0.78 2.26 0.24 0.00 0.02 0.00 0.00 61.00 64.29 3k8e s PRO 105 Cb -0.51 -3.18 1.42 0.00 0.02 0.00 0.00 34.50 32.24 3k8e s PRO 105 CO 0.34 -0.53 2.05 0.00 -0.33 0.00 0.00 177.00 178.54 3k8e h ALA 106 N 6.60 2.23 -0.58 -1.55 0.00 -1.91 -2.40 119.26 121.65 3k8e h ALA 106 Ca -0.43 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.49 3k8e h ALA 106 Cb 1.21 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3k8e h ALA 106 CO 0.88 -0.42 0.37 1.79 0.00 0.00 0.00 179.25 181.87 3k8e h THR 107 N 0.00 1.11 0.00 0.00 1.35 -1.91 -2.13 112.91 111.33 3k8e h THR 107 Ca 0.15 -0.25 -0.07 0.00 -0.55 0.00 0.00 66.41 65.69 3k8e h THR 107 Cb 0.65 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 3k8e h THR 107 CO -0.00 0.14 -0.33 0.16 -0.25 0.00 0.00 175.52 175.23 3k8e h ILE 108 N 0.74 0.75 -0.51 6.82 3.07 -1.79 0.13 117.51 126.72 3k8e h ILE 108 Ca 0.22 -1.45 -0.06 0.00 1.55 0.00 0.00 64.86 65.13 3k8e h ILE 108 Cb -0.04 1.93 -0.02 0.00 -0.27 0.00 0.00 36.82 38.42 3k8e h ILE 108 CO -0.07 0.32 0.10 0.40 -1.05 0.00 0.00 178.15 177.86 3k8e h ILE 109 N 0.00 1.25 -0.08 0.16 2.04 -1.47 -2.72 117.51 116.69 3k8e h ILE 109 Ca -0.00 -0.90 -0.18 0.00 1.00 0.00 0.00 64.86 64.78 3k8e h ILE 109 Cb 0.90 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3k8e h ILE 109 CO 0.04 0.32 -0.72 -0.09 0.00 0.00 0.00 178.15 177.71 3k8e h ARG 110 N 0.72 0.39 -0.35 2.37 2.43 -0.92 -3.00 114.38 116.02 3k8e h ARG 110 Ca 0.16 -0.32 0.05 0.00 -0.81 0.00 0.00 59.98 59.06 3k8e h ARG 110 Cb 0.37 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 3k8e h ARG 110 CO 0.01 0.95 0.08 0.37 -1.51 0.00 0.00 179.97 179.87 3k8e h GLN 111 N 0.27 0.20 -0.32 0.20 4.15 -0.65 -1.13 115.11 117.83 3k8e h GLN 111 Ca -0.03 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 3k8e h GLN 111 Cb 1.29 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 3k8e h GLN 111 CO 0.12 0.13 -0.30 0.28 -1.93 0.00 0.00 178.83 177.13 3k8e h VAL 112 N 0.20 1.28 -0.01 2.39 2.07 -1.43 -0.88 116.25 119.86 3k8e h VAL 112 Ca 0.16 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 3k8e h VAL 112 Cb 0.18 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3k8e h VAL 112 CO -0.21 0.46 0.00 0.00 0.02 0.00 0.00 177.57 177.85 3k8e h ALA 113 N 1.10 0.01 -0.74 1.67 0.00 -1.34 -2.01 119.26 117.96 3k8e h ALA 113 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3k8e h ALA 113 Cb 0.80 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3k8e h ALA 113 CO 0.07 -0.42 0.30 -0.44 0.00 0.00 0.00 179.25 178.75 3k8e h ASP 114 N -0.11 1.00 -0.77 0.00 3.32 -1.10 -0.24 116.42 118.53 3k8e h ASP 114 Ca 0.00 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 56.98 3k8e h ASP 114 Cb 0.13 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 3k8e h ASP 114 CO -0.00 0.89 0.44 0.78 -1.72 0.00 0.00 179.24 179.63 3k8e h ASN 115 N 1.07 0.65 -0.10 6.45 2.35 -1.08 -1.59 115.58 123.32 3k8e h ASN 115 Ca 0.25 0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 55.89 3k8e h ASN 115 Cb 0.20 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.48 3k8e h ASN 115 CO -0.02 0.40 -0.51 0.25 -1.65 0.00 0.00 177.43 175.89 3k8e h LEU 116 N 0.78 0.63 -0.57 1.61 7.12 -0.94 -3.16 115.31 120.79 3k8e h LEU 116 Ca 0.35 -0.64 0.08 0.00 0.13 0.00 0.00 57.88 57.80 3k8e h LEU 116 Cb 0.26 -0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 40.14 3k8e h LEU 116 CO -0.21 1.17 0.23 0.00 -0.13 0.00 0.00 178.44 179.50 3k8e h ALA 117 N 0.48 0.73 -0.00 1.25 0.00 -0.81 -2.72 119.26 118.18 3k8e h ALA 117 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k8e h ALA 117 Cb 1.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3k8e h ALA 117 CO 0.11 -0.16 -0.14 0.00 0.00 0.00 0.00 179.25 179.06 3k8e n GLN 118 N -4.96 0.44 -4.37 0.00 10.64 -0.62 -4.85 117.38 113.66 3k8e n GLN 118 Ca 0.07 -0.14 -0.27 0.00 -1.83 0.00 0.00 57.00 54.83 3k8e n GLN 118 Cb 0.23 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 28.00 3k8e n GLN 118 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3k8e s ARG 119 N -2.65 1.68 -0.98 2.61 0.52 -1.03 -5.07 118.95 114.03 3k8e s ARG 119 Ca 0.24 -1.39 -0.12 0.00 -0.52 0.00 0.00 55.73 53.93 3k8e s ARG 119 Cb 0.19 -1.97 0.24 0.00 0.52 0.00 0.00 34.95 33.94 3k8e s ARG 119 CO 0.52 0.43 0.97 -0.65 0.02 0.00 0.00 175.30 176.58 3k8e s GLN 120 N -2.56 3.90 -0.06 3.54 -0.21 -1.26 -4.89 119.66 118.12 3k8e s GLN 120 Ca 0.21 -2.78 -0.31 0.00 0.02 0.00 0.00 55.36 52.50 3k8e s GLN 120 Cb -0.09 -4.53 0.07 0.00 1.00 0.00 0.00 33.01 29.46 3k8e s GLN 120 CO 0.11 -1.31 0.68 0.08 -2.12 0.00 0.00 175.29 172.73 3k8e s VAL 121 N -0.32 0.00 0.18 1.09 1.01 -1.26 -5.08 120.40 116.02 3k8e s VAL 121 Ca 0.25 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3k8e s VAL 121 Cb -0.09 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 3k8e s VAL 121 CO -0.08 -0.00 1.49 1.23 0.00 0.00 0.00 175.10 177.74 3k8e h GLY 122 N 3.13 0.70 -5.36 4.51 0.00 -1.93 -3.45 103.07 100.67 3k8e h GLY 122 Ca -0.27 -0.80 -0.34 0.00 0.00 0.00 0.00 47.33 45.92 3k8e h GLY 122 CO 0.37 0.72 -0.76 1.06 0.00 0.00 0.00 176.54 177.93 3k8e s MET 123 N -4.07 0.49 0.15 4.80 -1.94 -1.24 -3.68 119.30 113.80 3k8e s MET 123 Ca -0.08 -0.21 0.11 0.00 -1.71 0.00 0.00 55.69 53.80 3k8e s MET 123 Cb 0.11 -0.47 -0.04 0.00 2.01 0.00 0.00 34.83 36.44 3k8e s MET 123 CO 0.85 0.12 -0.26 0.00 -0.01 0.00 0.00 175.02 175.73 3k8e s ALA 124 N -0.11 2.42 0.23 3.03 0.00 -0.25 -1.03 121.76 126.05 3k8e s ALA 124 Ca 0.02 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 3k8e s ALA 124 Cb -0.03 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.75 3k8e s ALA 124 CO -0.00 0.50 0.37 -2.37 0.00 0.00 0.00 175.76 174.25 3k8e n THR 125 N 0.68 0.00 -4.19 0.00 5.66 0.79 -0.82 114.28 116.40 3k8e n THR 125 Ca -0.16 -0.95 -0.17 0.00 -3.05 0.00 0.00 64.05 59.73 3k8e n THR 125 Cb 0.54 0.66 -0.11 0.00 -1.55 0.00 0.00 70.33 69.87 3k8e n THR 125 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3k8e s LEU 126 N 0.00 2.37 0.07 1.09 1.02 -1.26 -2.31 118.68 119.67 3k8e s LEU 126 Ca 0.15 -0.76 -0.03 0.00 0.02 0.00 0.00 54.13 53.52 3k8e s LEU 126 Cb -0.01 -0.43 -0.03 0.00 0.02 0.00 0.00 46.19 45.73 3k8e s LEU 126 CO 0.11 -0.17 0.03 0.00 0.02 0.00 0.00 176.35 176.34 3k8e s ALA 127 N -2.02 0.42 0.08 4.21 0.00 -0.58 -1.33 121.76 122.54 3k8e s ALA 127 Ca 0.04 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.92 3k8e s ALA 127 Cb -0.06 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3k8e s ALA 127 CO 0.02 -0.42 -0.14 0.14 0.00 0.00 0.00 175.76 175.35 3k8e s VAL 128 N -3.93 1.16 0.56 0.00 -7.23 -0.22 0.60 120.40 111.34 3k8e s VAL 128 Ca 0.10 -1.37 -0.19 0.00 -1.81 0.00 0.00 61.98 58.71 3k8e s VAL 128 Cb 0.07 -1.15 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 3k8e s VAL 128 CO -0.08 -0.25 1.14 -2.84 -0.31 0.00 0.00 175.10 172.76 3k8e s PRO 129 N -1.88 3.23 -0.19 4.82 0.02 -1.26 0.50 135.00 140.24 3k8e s PRO 129 Ca -0.00 1.64 -0.09 0.00 0.02 0.00 0.00 61.00 62.56 3k8e s PRO 129 Cb -0.09 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 3k8e s PRO 129 CO 0.02 -0.96 0.13 0.42 -0.33 0.00 0.00 177.00 176.28 3k8e s ILE 130 N -1.79 5.38 -0.11 2.83 1.01 0.10 -4.68 121.20 123.94 3k8e s ILE 130 Ca 0.73 0.18 0.15 0.00 0.00 0.00 0.00 60.65 61.71 3k8e s ILE 130 Cb -0.25 -3.44 0.23 0.00 0.01 0.00 0.00 42.46 39.01 3k8e s ILE 130 CO 0.29 0.46 1.12 1.41 0.00 0.00 0.00 174.94 178.22 3k8e n HIS 131 N 3.35 0.00 -3.71 3.97 8.25 -1.26 -4.66 115.22 121.16 3k8e n HIS 131 Ca -0.16 -0.84 -0.14 0.00 -0.26 0.00 0.00 57.72 56.32 3k8e n HIS 131 Cb 0.52 -0.13 -0.09 0.00 1.12 0.00 0.00 29.99 31.41 3k8e n HIS 131 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3k8e s ASN 132 N -2.51 -0.42 0.11 0.41 3.84 -1.26 -4.56 114.94 110.55 3k8e s ASN 132 Ca 0.26 0.69 -0.14 0.00 0.21 0.00 0.00 52.86 53.88 3k8e s ASN 132 Cb 0.23 0.74 -0.07 0.00 -0.55 0.00 0.00 41.25 41.59 3k8e s ASN 132 CO 0.02 -0.28 1.44 0.00 -2.79 0.00 0.00 177.10 175.50 3k8e h ALA 133 N 4.79 0.46 -0.62 1.71 0.00 -1.96 -1.06 119.26 122.58 3k8e h ALA 133 Ca -0.28 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.35 3k8e h ALA 133 Cb 1.17 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 3k8e h ALA 133 CO 0.28 0.48 0.04 1.49 0.00 0.00 0.00 179.25 181.54 3k8e h GLU 134 N 0.52 0.15 -0.15 0.00 4.81 -1.97 -0.95 114.58 116.98 3k8e h GLU 134 Ca 0.05 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 3k8e h GLU 134 Cb 0.87 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 3k8e h GLU 134 CO 0.07 0.10 -0.63 1.49 -0.73 0.00 0.00 179.01 179.31 3k8e h GLU 135 N 0.15 0.53 -0.62 1.92 4.81 -1.91 -2.01 114.58 117.45 3k8e h GLU 135 Ca 0.33 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3k8e h GLU 135 Cb 0.53 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 3k8e h GLU 135 CO -0.51 0.99 0.28 0.00 -0.73 0.00 0.00 179.01 179.04 3k8e h ALA 136 N 0.92 1.32 -0.14 2.92 0.00 -0.17 -2.98 119.26 121.12 3k8e h ALA 136 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3k8e h ALA 136 Cb 1.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3k8e h ALA 136 CO 0.12 0.52 0.00 1.19 0.00 0.00 0.00 179.25 181.08 3k8e n PHE 137 N -4.34 0.16 -2.41 0.00 3.72 -0.46 -4.45 117.46 109.68 3k8e n PHE 137 Ca 0.06 -0.08 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 3k8e n PHE 137 Cb 0.15 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 3k8e n PHE 137 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3k8e s ASN 138 N -1.83 6.76 0.05 4.37 3.84 -0.76 -4.92 114.94 122.46 3k8e s ASN 138 Ca 0.32 1.40 0.16 0.00 0.21 0.00 0.00 52.86 54.96 3k8e s ASN 138 Cb 0.21 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 39.07 3k8e s ASN 138 CO 0.31 -0.97 1.52 -0.81 -2.79 0.00 0.00 177.10 174.35 3k8e n PRO 139 N 7.07 0.04 0.04 0.43 -0.04 -1.26 -1.85 135.00 139.43 3k8e n PRO 139 Ca 0.15 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 3k8e n PRO 139 Cb 0.46 -1.57 0.50 0.00 -0.04 0.00 0.00 33.50 32.84 3k8e n PRO 139 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3k8e n ASN 140 N -1.65 0.31 -4.49 3.54 5.03 -1.26 -4.54 115.26 112.20 3k8e n ASN 140 Ca 0.03 0.54 -0.43 0.00 0.87 0.00 0.00 54.58 55.60 3k8e n ASN 140 Cb 0.18 -0.62 -0.09 0.00 -1.02 0.00 0.00 39.78 38.23 3k8e n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k8e s ALA 141 N -3.06 3.45 -0.12 5.41 0.00 -0.77 -5.04 121.76 121.62 3k8e s ALA 141 Ca 0.11 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 3k8e s ALA 141 Cb 0.15 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 3k8e s ALA 141 CO 0.50 -1.45 1.13 0.08 0.00 0.00 0.00 175.76 176.01 3k8e s VAL 142 N 2.01 4.48 0.20 0.00 1.01 -1.26 -4.75 120.40 122.09 3k8e s VAL 142 Ca 0.10 1.78 -0.03 0.00 0.00 0.00 0.00 61.98 63.84 3k8e s VAL 142 Cb -0.17 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 3k8e s VAL 142 CO 0.12 -0.06 0.41 -0.54 0.00 0.00 0.00 175.10 175.04 3k8e s LYS 143 N 2.60 3.57 -0.00 2.72 3.01 0.30 0.24 119.74 132.18 3k8e s LYS 143 Ca 0.51 -0.19 0.01 0.00 -1.01 0.00 0.00 55.97 55.29 3k8e s LYS 143 Cb -0.21 -2.81 -0.00 0.00 -1.01 0.00 0.00 37.83 33.81 3k8e s LYS 143 CO 0.16 0.39 -0.03 0.54 0.51 0.00 0.00 175.35 176.93 3k8e s VAL 144 N -1.83 0.20 -0.01 3.17 0.11 -1.01 -1.17 120.40 119.86 3k8e s VAL 144 Ca 0.40 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.41 3k8e s VAL 144 Cb -0.11 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 3k8e s VAL 144 CO 0.28 0.05 -0.23 0.68 -3.33 0.00 0.00 175.10 172.55 3k8e s VAL 145 N -0.07 2.32 0.27 2.04 -7.23 -0.99 -4.24 120.40 112.49 3k8e s VAL 145 Ca 0.01 -1.11 0.11 0.00 -1.81 0.00 0.00 61.98 59.18 3k8e s VAL 145 Cb -0.01 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 3k8e s VAL 145 CO -0.00 0.52 -0.12 -0.76 -0.31 0.00 0.00 175.10 174.42 3k8e s LEU 146 N -0.84 2.84 0.00 1.32 1.43 -1.26 0.01 118.68 122.17 3k8e s LEU 146 Ca 0.11 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 3k8e s LEU 146 Cb -0.10 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.82 3k8e s LEU 146 CO 0.00 0.03 0.43 -0.90 0.23 0.00 0.00 176.35 176.14 3k8e n ASP 147 N -0.72 0.79 0.23 2.29 5.68 -0.13 -4.78 116.55 119.91 3k8e n ASP 147 Ca -0.06 -1.62 0.06 0.00 -0.50 0.00 0.00 54.79 52.68 3k8e n ASP 147 Cb 0.60 -0.26 0.53 0.00 -1.14 0.00 0.00 41.12 40.84 3k8e n ASP 147 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k8e h ALA 148 N -0.16 1.57 -0.18 2.12 0.00 -2.01 -1.40 119.26 119.19 3k8e h ALA 148 Ca -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3k8e h ALA 148 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3k8e h ALA 148 CO 0.17 0.25 0.00 0.39 0.00 0.00 0.00 179.25 180.06 3k8e n GLU 149 N -4.15 1.88 -0.80 0.00 -0.58 -1.26 -4.93 120.64 110.79 3k8e n GLU 149 Ca -0.02 -1.31 0.00 0.00 -0.42 0.00 0.00 57.16 55.40 3k8e n GLU 149 Cb 0.27 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 3k8e n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k8e n GLY 150 N 1.21 0.60 3.77 0.62 0.00 -0.53 -4.92 105.19 105.94 3k8e n GLY 150 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3k8e n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k8e s TYR 151 N -2.01 3.56 0.09 1.61 2.02 -1.26 -0.67 117.35 120.70 3k8e s TYR 151 Ca 0.00 1.74 -0.31 0.00 -0.37 0.00 0.00 57.07 58.13 3k8e s TYR 151 Cb 0.00 -3.08 -0.07 0.00 -0.40 0.00 0.00 41.96 38.41 3k8e s TYR 151 CO 0.00 -0.20 1.36 0.00 -1.57 0.00 0.00 175.55 175.14 3k8e s ALA 152 N -1.48 3.55 -0.10 3.71 0.00 -0.08 -0.95 121.76 126.42 3k8e s ALA 152 Ca 0.50 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 53.27 3k8e s ALA 152 Cb -0.24 -3.53 -0.28 0.00 0.00 0.00 0.00 23.12 19.08 3k8e s ALA 152 CO 0.30 -0.63 0.72 -0.07 0.00 0.00 0.00 175.76 176.08 3k8e h LEU 153 N 7.03 0.25 -7.00 0.00 4.07 -0.73 -3.44 115.31 115.49 3k8e h LEU 153 Ca -0.41 -0.90 -0.03 0.00 0.08 0.00 0.00 57.88 56.62 3k8e h LEU 153 Cb 1.21 -0.08 -0.18 0.00 1.08 0.00 0.00 40.66 42.68 3k8e h LEU 153 CO 0.86 1.32 0.26 -0.47 -1.08 0.00 0.00 178.44 179.33 3k8e s TYR 154 N -2.36 -0.58 0.08 1.13 5.04 -1.22 -5.03 117.35 114.41 3k8e s TYR 154 Ca -0.18 0.86 0.09 0.00 -2.44 0.00 0.00 57.07 55.40 3k8e s TYR 154 Cb 0.01 0.45 -0.04 0.00 0.35 0.00 0.00 41.96 42.73 3k8e s TYR 154 CO 0.75 -0.62 -0.22 -0.06 -1.34 0.00 0.00 175.55 174.06 3k8e s PHE 155 N -1.78 2.45 0.14 4.97 0.08 -1.26 -2.34 117.98 120.23 3k8e s PHE 155 Ca -0.07 -0.32 -0.23 0.00 0.12 0.00 0.00 56.93 56.44 3k8e s PHE 155 Cb -0.00 -1.37 0.07 0.00 -0.57 0.00 0.00 43.02 41.15 3k8e s PHE 155 CO 0.03 0.28 0.58 0.45 -0.10 0.00 0.00 175.22 176.47 3k8e s SER 156 N -1.73 -0.54 0.00 1.36 0.15 -0.32 -5.00 113.70 107.62 3k8e s SER 156 Ca 0.15 0.02 0.23 0.00 0.70 0.00 0.00 55.95 57.05 3k8e s SER 156 Cb -0.10 0.58 0.20 0.00 -1.71 0.00 0.00 66.02 64.99 3k8e s SER 156 CO 0.06 -0.93 1.20 0.54 1.20 0.00 0.00 173.24 175.31 3k8e n ARG 157 N -0.27 0.02 -1.61 5.44 1.74 -1.26 -0.54 116.66 120.18 3k8e n ARG 157 Ca -0.17 -0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.59 3k8e n ARG 157 Cb 0.64 -1.51 0.06 0.00 -1.02 0.00 0.00 32.46 30.63 3k8e n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k8e s ALA 158 N -3.01 2.50 -0.90 7.54 0.00 -1.26 -4.31 121.76 122.31 3k8e s ALA 158 Ca 0.09 0.32 -0.25 0.00 0.00 0.00 0.00 51.96 52.13 3k8e s ALA 158 Cb 0.17 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 20.07 3k8e s ALA 158 CO 0.77 -1.34 1.41 0.99 0.00 0.00 0.00 175.76 177.60 3k8e s THR 159 N -2.70 3.82 0.05 0.00 2.01 -1.26 -4.64 115.64 112.92 3k8e s THR 159 Ca 0.62 -0.29 0.09 0.00 0.31 0.00 0.00 61.69 62.42 3k8e s THR 159 Cb -0.17 -4.95 -0.03 0.00 0.01 0.00 0.00 72.50 67.36 3k8e s THR 159 CO 0.48 -1.86 -0.26 0.27 -0.69 0.00 0.00 174.62 172.57 3k8e s ILE 160 N 5.51 2.10 0.54 1.82 -4.36 -1.26 -3.61 121.20 121.94 3k8e s ILE 160 Ca 0.43 -1.39 -0.19 0.00 -0.26 0.00 0.00 60.65 59.24 3k8e s ILE 160 Cb -0.03 -1.80 -0.06 0.00 1.25 0.00 0.00 42.46 41.82 3k8e s ILE 160 CO 0.00 0.33 1.08 -2.16 0.24 0.00 0.00 174.94 174.44 3k8e s PRO 161 N -1.28 3.47 -0.45 0.37 0.04 -1.26 -4.61 135.00 131.28 3k8e s PRO 161 Ca 0.11 1.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 3k8e s PRO 161 Cb -0.10 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.42 3k8e s PRO 161 CO 0.02 -0.72 1.32 -0.46 0.04 0.00 0.00 177.00 177.21 3k8e s TRP 162 N -2.02 2.52 -0.96 0.56 -0.11 -1.24 -4.95 118.94 112.74 3k8e s TRP 162 Ca 0.68 0.66 -0.05 0.00 1.22 0.00 0.00 56.10 58.61 3k8e s TRP 162 Cb -0.19 -4.37 0.24 0.00 -1.50 0.00 0.00 33.47 27.65 3k8e s TRP 162 CO 0.27 -1.76 0.89 0.34 -4.62 0.00 0.00 176.95 172.07 3k8e s ASP 163 N 3.51 6.52 0.00 5.86 -1.08 -1.26 -4.89 116.67 125.33 3k8e s ASP 163 Ca 0.56 -3.56 0.00 0.00 -0.52 0.00 0.00 52.55 49.03 3k8e s ASP 163 Cb -0.11 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.31 3k8e s ASP 163 CO 0.32 -0.26 0.73 -2.11 0.52 0.00 0.00 175.17 174.37 3k8e n ARG 164 N 2.64 0.00 -0.11 4.34 -4.01 -1.25 -2.38 116.66 115.89 3k8e n ARG 164 Ca 0.21 0.25 -0.24 0.00 -1.04 0.00 0.00 57.85 57.03 3k8e n ARG 164 Cb 0.39 -1.53 -0.11 0.00 -3.04 0.00 0.00 32.46 28.17 3k8e n ARG 164 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 3k8e n ASP 165 N -1.23 1.97 0.05 2.89 5.68 -1.26 -2.95 116.55 121.70 3k8e n ASP 165 Ca 0.00 0.21 -0.08 0.00 -0.50 0.00 0.00 54.79 54.43 3k8e n ASP 165 Cb 0.03 -0.75 -0.05 0.00 -1.14 0.00 0.00 41.12 39.21 3k8e n ASP 165 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3k8e h ARG 166 N -0.61 -0.33 -6.38 0.11 2.47 -1.82 -2.95 114.38 104.86 3k8e h ARG 166 Ca -0.57 0.02 -0.54 0.00 -1.26 0.00 0.00 59.98 57.63 3k8e h ARG 166 Cb 1.68 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 30.07 3k8e h ARG 166 CO -0.23 -0.22 0.62 -0.59 0.56 0.00 0.00 179.97 180.11 3k8e s PHE 167 N -4.26 3.32 -0.64 3.04 -0.71 -1.20 -2.04 117.98 115.47 3k8e s PHE 167 Ca -0.07 1.29 0.01 0.00 -1.04 0.00 0.00 56.93 57.11 3k8e s PHE 167 Cb 0.03 -3.40 0.16 0.00 -1.21 0.00 0.00 43.02 38.60 3k8e s PHE 167 CO 0.28 -1.19 0.44 0.00 -1.34 0.00 0.00 175.22 173.41 3k8e s ALA 168 N 1.69 3.63 0.00 1.99 0.00 -1.11 -3.92 121.76 124.05 3k8e s ALA 168 Ca 0.57 -3.45 0.00 0.00 0.00 0.00 0.00 51.96 49.08 3k8e s ALA 168 Cb -0.26 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3k8e s ALA 168 CO 0.25 -2.09 0.28 0.39 0.00 0.00 0.00 175.76 174.59 3k8e n GLU 169 N 2.95 0.11 -2.46 0.00 1.02 -0.87 -5.08 120.64 116.30 3k8e n GLU 169 Ca 0.11 -0.28 -0.04 0.00 -0.02 0.00 0.00 57.16 56.93 3k8e n GLU 169 Cb 0.35 -0.76 0.02 0.00 -0.02 0.00 0.00 31.44 31.04 3k8e n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k8e n GLY 170 N 0.10 -0.61 0.51 0.62 0.00 -1.26 -5.20 105.19 99.34 3k8e n GLY 170 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.27 3k8e n GLY 170 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k8e n VAL 174 N -1.92 0.69 -2.65 1.61 0.24 -1.26 -5.01 118.33 110.03 3k8e n VAL 174 Ca -0.02 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 3k8e n VAL 174 Cb 0.53 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 3k8e n VAL 174 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k8e n GLY 175 N -0.43 0.68 0.49 7.63 0.00 -1.26 -4.55 105.19 107.76 3k8e n GLY 175 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3k8e n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k8e n ASP 176 N 4.74 0.00 -0.34 1.61 10.43 -1.26 -4.84 116.55 126.89 3k8e n ASP 176 Ca 0.00 -1.63 0.12 0.00 2.57 0.00 0.00 54.79 55.84 3k8e n ASP 176 Cb 0.00 -0.13 0.12 0.00 1.84 0.00 0.00 41.12 42.95 3k8e n ASP 176 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3k8e n ASN 177 N 0.00 1.54 -4.71 -2.24 3.02 -1.26 -4.95 115.26 106.65 3k8e n ASN 177 Ca 0.00 -1.21 -0.35 0.00 -0.03 0.00 0.00 54.58 52.99 3k8e n ASN 177 Cb 0.63 0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 40.13 3k8e n ASN 177 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3k8e s PHE 178 N -2.56 3.38 -0.06 3.10 0.08 -1.26 -4.73 117.98 115.93 3k8e s PHE 178 Ca 0.19 0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.57 3k8e s PHE 178 Cb 0.18 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 3k8e s PHE 178 CO 0.59 0.25 -0.19 -0.51 -0.10 0.00 0.00 175.22 175.27 3k8e s LEU 179 N 0.42 2.47 -0.16 -0.37 1.43 -1.26 -0.72 118.68 120.49 3k8e s LEU 179 Ca 0.07 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 3k8e s LEU 179 Cb -0.11 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 3k8e s LEU 179 CO -0.01 0.29 0.29 -0.60 0.23 0.00 0.00 176.35 176.56 3k8e s ARG 180 N -0.43 4.23 0.07 1.70 3.52 0.18 -2.40 118.95 125.81 3k8e s ARG 180 Ca 0.05 0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 3k8e s ARG 180 Cb -0.12 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 3k8e s ARG 180 CO 0.02 0.26 1.03 -1.58 -0.81 0.00 0.00 175.30 174.22 3k8e s HIS 181 N 0.40 3.65 -0.01 5.12 5.65 0.14 -1.05 115.29 129.18 3k8e s HIS 181 Ca 0.17 1.64 -0.14 0.00 0.25 0.00 0.00 55.06 56.97 3k8e s HIS 181 Cb -0.13 -3.18 -0.06 0.00 -1.18 0.00 0.00 32.58 28.03 3k8e s HIS 181 CO 0.04 -0.27 0.39 -0.51 -0.65 0.00 0.00 174.74 173.74 3k8e s LEU 182 N 0.55 4.46 -0.26 8.88 1.02 -0.44 -4.66 118.68 128.23 3k8e s LEU 182 Ca 0.51 0.92 -0.06 0.00 0.02 0.00 0.00 54.13 55.53 3k8e s LEU 182 Cb -0.24 -2.55 -0.15 0.00 0.02 0.00 0.00 46.19 43.27 3k8e s LEU 182 CO 0.30 0.32 3.30 0.61 0.02 0.00 0.00 176.35 180.90 3k8e n GLY 183 N 1.88 3.54 3.21 -3.19 0.00 -1.26 -4.47 105.19 104.90 3k8e n GLY 183 Ca -0.14 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 3k8e n GLY 183 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3k8e s ILE 184 N 0.01 1.75 0.03 -0.61 2.07 -1.26 -4.62 121.20 118.56 3k8e s ILE 184 Ca 0.64 -0.90 0.03 0.00 -1.41 0.00 0.00 60.65 59.01 3k8e s ILE 184 Cb 0.33 -1.48 -0.02 0.00 0.13 0.00 0.00 42.46 41.42 3k8e s ILE 184 CO -0.07 0.49 -0.09 -0.31 -1.91 0.00 0.00 174.94 173.05 3k8e s TYR 185 N -0.14 0.74 0.00 3.50 1.51 -1.19 -4.04 117.35 117.74 3k8e s TYR 185 Ca -0.02 -0.36 0.06 0.00 -1.01 0.00 0.00 57.07 55.74 3k8e s TYR 185 Cb -0.12 -0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 41.26 3k8e s TYR 185 CO 0.02 -0.04 -0.20 0.20 -1.11 0.00 0.00 175.55 174.43 3k8e s GLY 186 N -1.13 1.02 0.13 0.71 0.00 -0.00 -0.50 107.32 107.55 3k8e s GLY 186 Ca -0.04 -0.92 -0.16 0.00 0.00 0.00 0.00 44.72 43.60 3k8e s GLY 186 CO 0.00 -0.80 0.40 -0.19 0.00 0.00 0.00 173.10 172.52 3k8e s TYR 187 N -0.57 -0.17 0.33 1.90 1.51 -0.08 -1.09 117.35 119.19 3k8e s TYR 187 Ca 0.08 -0.16 -0.22 0.00 -1.01 0.00 0.00 57.07 55.75 3k8e s TYR 187 Cb -0.08 0.25 -0.10 0.00 -0.11 0.00 0.00 41.96 41.92 3k8e s TYR 187 CO 0.00 -0.72 0.88 1.03 -1.11 0.00 0.00 175.55 175.63 3k8e s ARG 188 N -3.82 4.36 0.25 -0.62 0.52 -1.24 -0.37 118.95 118.04 3k8e s ARG 188 Ca 0.04 1.11 -0.03 0.00 -0.52 0.00 0.00 55.73 56.33 3k8e s ARG 188 Cb 0.02 -2.62 0.45 0.00 0.52 0.00 0.00 34.95 33.32 3k8e s ARG 188 CO -0.11 0.21 1.79 0.00 0.02 0.00 0.00 175.30 177.21 3k8e h ALA 189 N 2.80 1.21 -0.06 2.13 0.00 -0.27 -1.83 119.26 123.23 3k8e h ALA 189 Ca -0.48 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3k8e h ALA 189 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3k8e h ALA 189 CO 0.64 0.02 -0.21 0.78 0.00 0.00 0.00 179.25 180.48 3k8e h GLY 190 N 0.72 0.11 1.07 0.00 0.00 -1.11 -1.89 103.07 101.98 3k8e h GLY 190 Ca 0.42 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.56 3k8e h GLY 190 CO -0.29 0.07 -0.16 -2.75 0.00 0.00 0.00 176.54 173.41 3k8e h PHE 191 N 0.10 1.08 -0.30 5.60 3.57 -1.58 -2.70 116.94 122.71 3k8e h PHE 191 Ca 0.02 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3k8e h PHE 191 Cb 0.44 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3k8e h PHE 191 CO 0.00 1.05 0.20 0.82 -2.23 0.00 0.00 178.31 178.15 3k8e h ILE 192 N 0.80 1.08 -0.61 1.41 1.08 -1.11 0.13 117.51 120.29 3k8e h ILE 192 Ca 0.12 -0.15 0.13 0.00 -0.39 0.00 0.00 64.86 64.56 3k8e h ILE 192 Cb 0.72 0.65 -0.10 0.00 -3.07 0.00 0.00 36.82 35.02 3k8e h ILE 192 CO 0.06 0.08 0.05 0.03 -0.69 0.00 0.00 178.15 177.67 3k8e h ARG 193 N 0.41 0.16 0.54 2.37 3.08 -1.33 -2.83 114.38 116.77 3k8e h ARG 193 Ca 0.11 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3k8e h ARG 193 Cb -0.04 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 29.98 3k8e h ARG 193 CO -0.02 0.11 -0.26 0.00 -1.07 0.00 0.00 179.97 178.73 3k8e h ARG 194 N 0.17 -0.69 -0.94 0.04 3.08 -1.18 -3.34 114.38 111.50 3k8e h ARG 194 Ca 0.32 0.05 0.27 0.00 0.07 0.00 0.00 59.98 60.69 3k8e h ARG 194 Cb 0.52 0.16 -0.18 0.00 0.08 0.00 0.00 29.97 30.55 3k8e h ARG 194 CO -0.49 -0.43 0.05 0.98 -1.07 0.00 0.00 179.97 179.02 3k8e n TYR 195 N -5.26 0.64 0.34 3.04 9.36 0.43 -0.47 117.16 125.24 3k8e n TYR 195 Ca -0.10 1.14 0.13 0.00 3.32 0.00 0.00 57.90 62.40 3k8e n TYR 195 Cb 0.30 -1.23 0.37 0.00 -0.63 0.00 0.00 39.34 38.15 3k8e n TYR 195 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 3k8e h VAL 196 N 0.00 0.00 0.00 2.97 -1.51 -1.62 -2.72 116.25 113.37 3k8e h VAL 196 Ca 0.59 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 3k8e h VAL 196 Cb 1.25 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 3k8e h VAL 196 CO -0.88 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.05 3k8e n ASN 197 N -2.82 0.46 -4.72 4.19 3.02 0.37 -4.85 115.26 110.92 3k8e n ASN 197 Ca 0.03 0.55 -0.42 0.00 -0.03 0.00 0.00 54.58 54.71 3k8e n ASN 197 Cb 0.42 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 3k8e n ASN 197 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3k8e s TRP 198 N -3.06 3.24 0.19 3.10 0.51 -1.03 -4.98 118.94 116.92 3k8e s TRP 198 Ca 0.12 1.00 -0.31 0.00 -2.12 0.00 0.00 56.10 54.78 3k8e s TRP 198 Cb 0.15 -3.67 -0.16 0.00 -0.81 0.00 0.00 33.47 28.98 3k8e s TRP 198 CO 0.56 -2.31 1.02 0.94 -0.51 0.00 0.00 176.95 176.65 3k8e n GLN 199 N 3.72 0.95 -1.06 4.98 -0.06 -1.26 -4.94 117.38 119.71 3k8e n GLN 199 Ca 0.11 0.34 -0.31 0.00 -2.00 0.00 0.00 57.00 55.13 3k8e n GLN 199 Cb 0.42 -1.72 0.12 0.00 -4.06 0.00 0.00 30.24 25.00 3k8e n GLN 199 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 3k8e s PRO 200 N -0.74 1.79 0.12 3.69 0.02 -1.26 -5.03 135.00 133.58 3k8e s PRO 200 Ca 0.69 1.34 0.00 0.00 0.02 0.00 0.00 61.00 63.05 3k8e s PRO 200 Cb -0.86 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.79 3k8e s PRO 200 CO 0.55 -2.02 0.28 -1.54 -0.33 0.00 0.00 177.00 173.93 3k8e s SER 201 N -3.05 6.37 0.38 2.53 1.04 -1.26 -5.00 113.70 114.71 3k8e s SER 201 Ca 0.64 0.30 0.08 0.00 0.48 0.00 0.00 55.95 57.45 3k8e s SER 201 Cb -0.20 -1.97 0.77 0.00 0.10 0.00 0.00 66.02 64.73 3k8e s SER 201 CO 0.56 0.09 1.94 -0.65 0.98 0.00 0.00 173.24 176.16 3k8e h PRO 202 N 2.63 0.33 -0.34 4.02 0.11 -2.00 -2.88 132.00 133.88 3k8e h PRO 202 Ca -0.47 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.64 3k8e h PRO 202 Cb 1.17 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3k8e h PRO 202 CO 0.72 0.40 0.02 -0.07 -0.21 0.00 0.00 178.00 178.86 3k8e h LEU 203 N 0.32 -0.09 -1.34 2.35 3.38 -1.96 -2.90 115.31 115.07 3k8e h LEU 203 Ca 0.07 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3k8e h LEU 203 Cb 0.29 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3k8e h LEU 203 CO 0.01 -0.01 0.30 1.05 0.09 0.00 0.00 178.44 179.89 3k8e h GLU 204 N 0.12 0.75 0.00 1.13 4.11 -1.74 -1.00 114.58 117.96 3k8e h GLU 204 Ca 0.16 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.43 3k8e h GLU 204 Cb 0.21 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3k8e h GLU 204 CO -0.25 0.55 -0.45 0.45 0.07 0.00 0.00 179.01 179.37 3k8e h HIS 205 N 0.76 0.00 0.32 2.06 3.86 -1.64 0.51 115.15 121.02 3k8e h HIS 205 Ca 0.20 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 3k8e h HIS 205 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3k8e h HIS 205 CO 0.00 0.45 -0.15 0.82 0.86 0.00 0.00 177.93 179.91 3k8e h ILE 206 N 0.00 0.54 0.00 2.45 2.04 -1.06 -3.32 117.51 118.17 3k8e h ILE 206 Ca -0.00 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3k8e h ILE 206 Cb 1.12 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3k8e h ILE 206 CO 0.06 0.12 0.00 -0.33 0.00 0.00 0.00 178.15 177.99 3k8e h GLU 207 N -0.92 0.00 -6.02 2.37 4.39 -1.25 -3.47 114.58 109.67 3k8e h GLU 207 Ca -0.04 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.24 3k8e h GLU 207 Cb 0.52 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.23 3k8e h GLU 207 CO 0.07 0.00 -0.77 -1.33 -1.16 0.00 0.00 179.01 175.83 3k8e n MET 208 N -2.52 -6.07 -3.78 2.33 2.81 0.17 -4.85 117.12 105.22 3k8e n MET 208 Ca 0.05 0.70 -0.29 0.00 -1.81 0.00 0.00 57.70 56.35 3k8e n MET 208 Cb 0.43 -5.55 -0.16 0.00 -0.71 0.00 0.00 33.22 27.24 3k8e n MET 208 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3k8e s LEU 209 N -6.94 1.80 0.45 4.03 1.43 -0.90 -5.02 118.68 113.54 3k8e s LEU 209 Ca 0.32 -1.14 0.11 0.00 -1.03 0.00 0.00 54.13 52.40 3k8e s LEU 209 Cb -0.15 -0.80 1.03 0.00 0.03 0.00 0.00 46.19 46.29 3k8e s LEU 209 CO 0.79 -0.32 2.08 -0.08 0.23 0.00 0.00 176.35 179.04 3k8e h GLU 210 N 8.13 0.33 0.00 1.70 4.81 -1.95 -2.77 114.58 124.83 3k8e h GLU 210 Ca -0.16 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3k8e h GLU 210 Cb 1.08 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 3k8e h GLU 210 CO 0.39 0.22 -0.00 -0.56 -0.73 0.00 0.00 179.01 178.33 3k8e h GLN 211 N 0.34 0.00 0.00 1.92 -0.00 -1.97 -2.13 115.11 113.28 3k8e h GLN 211 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.77 3k8e h GLN 211 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.55 3k8e h GLN 211 CO -0.03 0.00 -0.03 -0.07 -0.00 0.00 0.00 178.83 178.71 3k8e h LEU 212 N 0.00 0.00 -0.90 0.06 3.38 -1.89 -2.33 115.31 113.62 3k8e h LEU 212 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 3k8e h LEU 212 Cb 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 3k8e h LEU 212 CO 0.00 0.03 0.51 -0.09 0.09 0.00 0.00 178.44 178.97 3k8e h ARG 213 N 0.00 0.70 0.01 1.13 2.43 -1.59 0.29 114.38 117.35 3k8e h ARG 213 Ca -0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3k8e h ARG 213 Cb 0.43 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3k8e h ARG 213 CO 0.00 0.46 -0.01 0.28 -1.51 0.00 0.00 179.97 179.20 3k8e h VAL 214 N 0.72 1.06 -0.20 0.20 2.07 -1.63 -2.12 116.25 116.35 3k8e h VAL 214 Ca 0.49 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.66 3k8e h VAL 214 Cb 0.67 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3k8e h VAL 214 CO -0.35 0.06 -0.41 -0.07 0.02 0.00 0.00 177.57 176.82 3k8e h LEU 215 N -0.11 0.49 -1.23 2.57 3.38 -1.55 -1.60 115.31 117.25 3k8e h LEU 215 Ca -0.00 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3k8e h LEU 215 Cb 0.11 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3k8e h LEU 215 CO 0.00 0.85 0.52 -0.25 0.09 0.00 0.00 178.44 179.66 3k8e h TRP 216 N 0.39 0.98 -0.15 1.13 2.91 -0.24 -1.39 115.95 119.57 3k8e h TRP 216 Ca 0.03 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3k8e h TRP 216 Cb 0.89 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 3k8e h TRP 216 CO 0.03 0.60 0.00 0.66 -1.03 0.00 0.00 178.44 178.70 3k8e n TYR 217 N -4.43 0.19 -0.90 2.65 4.01 -0.82 -4.90 117.16 112.97 3k8e n TYR 217 Ca 0.09 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3k8e n TYR 217 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3k8e n TYR 217 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k8e n GLY 218 N 0.96 0.45 3.99 2.72 0.00 -0.53 -5.05 105.19 107.73 3k8e n GLY 218 Ca 0.13 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 3k8e n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k8e s GLU 219 N -1.62 3.11 0.06 1.61 0.41 -0.62 -5.02 118.70 116.62 3k8e s GLU 219 Ca 0.00 -0.95 0.05 0.00 -0.41 0.00 0.00 54.97 53.66 3k8e s GLU 219 Cb 0.00 -2.79 -0.04 0.00 -1.78 0.00 0.00 34.13 29.53 3k8e s GLU 219 CO 0.00 0.02 -0.05 0.15 -0.49 0.00 0.00 175.26 174.89 3k8e s LYS 220 N -4.22 2.46 -0.14 1.61 1.02 -1.26 -4.00 119.74 115.20 3k8e s LYS 220 Ca 0.45 -0.83 -0.00 0.00 0.02 0.00 0.00 55.97 55.62 3k8e s LYS 220 Cb -0.10 -2.48 0.03 0.00 -0.52 0.00 0.00 37.83 34.77 3k8e s LYS 220 CO 0.32 0.56 -0.10 0.42 -0.92 0.00 0.00 175.35 175.63 3k8e s ILE 221 N -1.16 1.31 0.23 2.17 1.01 -1.26 -3.66 121.20 119.84 3k8e s ILE 221 Ca 0.21 -0.52 -0.25 0.00 0.00 0.00 0.00 60.65 60.08 3k8e s ILE 221 Cb -0.11 -1.30 -0.09 0.00 0.01 0.00 0.00 42.46 40.97 3k8e s ILE 221 CO 0.13 0.36 0.83 -2.28 0.00 0.00 0.00 174.94 173.99 3k8e s HIS 222 N 1.58 3.83 -0.15 3.97 5.65 -0.20 -0.90 115.29 129.08 3k8e s HIS 222 Ca 0.04 1.67 -0.01 0.00 0.25 0.00 0.00 55.06 57.02 3k8e s HIS 222 Cb -0.13 -2.81 0.04 0.00 -1.18 0.00 0.00 32.58 28.49 3k8e s HIS 222 CO -0.09 0.40 -0.04 0.08 -0.65 0.00 0.00 174.74 174.44 3k8e s VAL 223 N -1.33 0.95 0.12 0.89 1.01 0.16 -0.15 120.40 122.05 3k8e s VAL 223 Ca 0.41 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3k8e s VAL 223 Cb -0.21 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3k8e s VAL 223 CO 0.26 0.16 0.17 0.00 0.00 0.00 0.00 175.10 175.69 3k8e s ALA 224 N 1.71 3.74 0.04 5.51 0.00 -0.98 -4.77 121.76 127.01 3k8e s ALA 224 Ca 0.02 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 3k8e s ALA 224 Cb -0.14 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 3k8e s ALA 224 CO -0.08 0.64 1.18 0.08 0.00 0.00 0.00 175.76 177.59 3k8e s VAL 225 N -1.60 4.14 0.18 0.00 1.01 -1.26 -1.53 120.40 121.34 3k8e s VAL 225 Ca 0.32 1.53 -0.33 0.00 0.00 0.00 0.00 61.98 63.50 3k8e s VAL 225 Cb -0.11 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.16 3k8e s VAL 225 CO 0.25 0.10 1.65 0.00 0.00 0.00 0.00 175.10 177.10 3k8e n ALA 226 N 4.13 2.06 1.57 5.51 0.00 0.20 -4.81 120.51 129.16 3k8e n ALA 226 Ca 0.09 0.42 0.07 0.00 0.00 0.00 0.00 53.44 54.02 3k8e n ALA 226 Cb 0.47 -2.44 0.40 0.00 0.00 0.00 0.00 19.45 17.88 3k8e n ALA 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k8e n GLN 227 N 3.72 0.78 -3.56 0.00 10.64 -1.26 -4.60 117.38 123.11 3k8e n GLN 227 Ca 0.17 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.32 3k8e n GLN 227 Cb 0.32 -1.27 -0.05 0.00 -0.86 0.00 0.00 30.24 28.37 3k8e n GLN 227 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 3k8e s GLU 228 N -2.00 0.40 -0.34 2.61 2.12 -1.26 -5.07 118.70 115.16 3k8e s GLU 228 Ca 0.20 0.82 -0.26 0.00 0.36 0.00 0.00 54.97 56.09 3k8e s GLU 228 Cb 0.09 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.80 3k8e s GLU 228 CO 0.16 -0.11 0.94 0.08 -0.54 0.00 0.00 175.26 175.79 3k8e s VAL 229 N 1.94 4.61 0.60 3.70 1.01 -1.26 -4.94 120.40 126.07 3k8e s VAL 229 Ca -0.06 1.38 -0.14 0.00 0.00 0.00 0.00 61.98 63.15 3k8e s VAL 229 Cb -0.06 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3k8e s VAL 229 CO -0.17 -0.45 1.04 -2.16 0.00 0.00 0.00 175.10 173.36 3k8e s PRO 230 N 3.41 3.41 0.76 2.72 0.04 -1.26 -5.04 135.00 139.04 3k8e s PRO 230 Ca 0.39 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.35 3k8e s PRO 230 Cb -0.13 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.41 3k8e s PRO 230 CO 0.16 -0.72 1.08 0.20 0.04 0.00 0.00 177.00 177.76 3k8e s GLY 231 N -3.29 1.66 0.55 0.56 0.00 -1.26 -5.01 107.32 100.53 3k8e s GLY 231 Ca 0.60 0.08 -0.21 0.00 0.00 0.00 0.00 44.72 45.19 3k8e s GLY 231 CO 0.42 0.44 1.26 -1.59 0.00 0.00 0.00 173.10 173.63 3k8e s THR 232 N -3.01 2.49 1.33 0.90 2.01 -1.26 -4.95 115.64 113.16 3k8e s THR 232 Ca 0.60 0.34 -0.21 0.00 0.31 0.00 0.00 61.69 62.74 3k8e s THR 232 Cb -0.16 -3.16 0.34 0.00 0.01 0.00 0.00 72.50 69.53 3k8e s THR 232 CO 0.55 -0.03 0.99 -0.83 -0.69 0.00 0.00 174.62 174.61 3k8e s GLY 233 N -1.28 1.47 -0.59 4.40 0.00 -1.26 -5.00 107.32 105.07 3k8e s GLY 233 Ca 0.72 -0.77 -0.07 0.00 0.00 0.00 0.00 44.72 44.60 3k8e s GLY 233 CO 0.39 0.17 0.44 0.14 0.00 0.00 0.00 173.10 174.24 3k8e s VAL 234 N -2.50 4.15 -0.14 1.40 1.01 0.08 -4.84 120.40 119.57 3k8e s VAL 234 Ca 0.69 -2.41 0.08 0.00 0.00 0.00 0.00 61.98 60.35 3k8e s VAL 234 Cb -0.14 -3.69 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 3k8e s VAL 234 CO 0.58 -0.85 0.24 0.47 0.00 0.00 0.00 175.10 175.54 3k8e n ASP 235 N 4.14 2.15 -4.24 3.32 8.00 -1.26 -4.86 116.55 123.81 3k8e n ASP 235 Ca 0.03 -0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.16 3k8e n ASP 235 Cb 0.41 1.26 -0.10 0.00 -0.02 0.00 0.00 41.12 42.67 3k8e n ASP 235 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3k8e s THR 236 N -2.32 1.01 0.34 -3.53 -4.23 -1.26 -4.48 115.64 101.17 3k8e s THR 236 Ca -0.01 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.51 3k8e s THR 236 Cb 0.06 -1.88 0.28 0.00 1.34 0.00 0.00 72.50 72.31 3k8e s THR 236 CO 0.35 -0.72 1.96 -0.65 -0.54 0.00 0.00 174.62 175.02 3k8e h PRO 237 N 2.79 0.82 -0.41 3.99 0.11 -1.98 0.12 132.00 137.43 3k8e h PRO 237 Ca -0.36 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.74 3k8e h PRO 237 Cb 1.19 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 3k8e h PRO 237 CO 0.64 0.54 0.16 1.05 -0.21 0.00 0.00 178.00 180.18 3k8e h GLU 238 N 0.84 0.33 -0.66 1.05 4.11 -1.99 -0.68 114.58 117.58 3k8e h GLU 238 Ca 0.32 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.72 3k8e h GLU 238 Cb 0.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3k8e h GLU 238 CO -0.10 0.22 0.37 -0.44 0.07 0.00 0.00 179.01 179.12 3k8e h ASP 239 N 0.34 0.79 -0.39 3.06 3.32 -1.41 -1.94 116.42 120.19 3k8e h ASP 239 Ca 0.19 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3k8e h ASP 239 Cb 0.16 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3k8e h ASP 239 CO -0.18 0.63 -0.00 0.25 -1.72 0.00 0.00 179.24 178.22 3k8e h LEU 240 N 0.91 0.68 -0.46 1.55 5.85 -0.50 -0.99 115.31 122.35 3k8e h LEU 240 Ca 0.23 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3k8e h LEU 240 Cb -0.00 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3k8e h LEU 240 CO -0.04 0.83 0.15 -0.08 -0.34 0.00 0.00 178.44 178.96 3k8e h GLU 241 N 0.52 0.71 0.19 1.25 4.57 -0.88 -0.17 114.58 120.77 3k8e h GLU 241 Ca 0.11 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3k8e h GLU 241 Cb 0.48 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 3k8e h GLU 241 CO 0.02 0.68 -0.37 -0.09 -1.18 0.00 0.00 179.01 178.07 3k8e h ARG 242 N 0.61 -0.62 -0.37 1.92 2.43 -1.26 -2.22 114.38 114.87 3k8e h ARG 242 Ca 0.15 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3k8e h ARG 242 Cb 0.26 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3k8e h ARG 242 CO -0.01 -0.41 -0.03 0.28 -1.51 0.00 0.00 179.97 178.29 3k8e h VAL 243 N -0.64 1.22 -0.98 0.20 2.07 -1.10 -1.85 116.25 115.16 3k8e h VAL 243 Ca 0.01 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.63 3k8e h VAL 243 Cb 0.64 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3k8e h VAL 243 CO -0.17 0.31 0.64 0.03 0.02 0.00 0.00 177.57 178.40 3k8e h ARG 244 N 0.57 1.30 0.00 1.57 3.08 -0.87 -2.06 114.38 117.98 3k8e h ARG 244 Ca 0.12 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3k8e h ARG 244 Cb 0.41 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3k8e h ARG 244 CO 0.02 0.87 -0.16 0.00 -1.07 0.00 0.00 179.97 179.63 3k8e h ALA 245 N 1.37 0.91 0.00 0.04 0.00 -0.76 -3.32 119.26 117.51 3k8e h ALA 245 Ca 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 3k8e h ALA 245 Cb -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3k8e h ALA 245 CO -0.08 0.00 -1.68 0.39 0.00 0.00 0.00 179.25 177.89 3k8e n GLU 246 N -2.71 0.64 0.00 0.00 1.02 -0.76 -5.11 120.64 113.73 3k8e n GLU 246 Ca 0.04 0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.38 3k8e n GLU 246 Cb 0.49 -1.69 0.25 0.00 -0.02 0.00 0.00 31.44 30.47 3k8e n GLU 246 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98