#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krv n MET 1 N 0.00 2.05 -4.33 0.00 1.56 -1.26 -5.01 117.12 110.13 3krv n MET 1 Ca 0.00 0.73 -0.35 0.00 -0.27 0.00 0.00 57.70 57.81 3krv n MET 1 Cb 0.00 -2.39 -0.09 0.00 2.15 0.00 0.00 33.22 32.89 3krv n MET 1 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 3krv s LYS 2 N -0.43 3.02 -0.15 2.12 1.02 -1.26 -4.99 119.74 119.07 3krv s LYS 2 Ca 0.68 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 56.27 3krv s LYS 2 Cb -0.64 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3krv s LYS 2 CO 0.50 0.71 -0.12 0.08 -0.92 0.00 0.00 175.35 175.60 3krv s VAL 3 N -0.90 3.03 -0.21 3.17 1.01 -1.26 -2.18 120.40 123.06 3krv s VAL 3 Ca 0.14 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3krv s VAL 3 Cb -0.11 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3krv s VAL 3 CO 0.03 0.50 0.02 -0.31 0.00 0.00 0.00 175.10 175.34 3krv s TYR 4 N 0.66 3.06 -0.23 5.22 2.02 0.62 -4.95 117.35 123.75 3krv s TYR 4 Ca -0.06 -0.45 -0.23 0.00 -0.37 0.00 0.00 57.07 55.95 3krv s TYR 4 Cb -0.15 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.28 3krv s TYR 4 CO 0.02 -0.26 0.77 0.34 -1.57 0.00 0.00 175.55 174.85 3krv s ASP 5 N 1.13 6.78 -0.30 2.29 2.15 -1.26 -0.54 116.67 126.93 3krv s ASP 5 Ca 0.03 0.97 0.08 0.00 0.43 0.00 0.00 52.55 54.05 3krv s ASP 5 Cb -0.14 -2.41 0.46 0.00 -0.30 0.00 0.00 42.92 40.52 3krv s ASP 5 CO 0.02 -0.44 1.31 1.33 -0.17 0.00 0.00 175.17 177.21 3krv n VAL 6 N 5.11 2.54 -4.66 1.11 0.24 -0.61 -4.96 118.33 117.10 3krv n VAL 6 Ca 0.03 -3.65 -0.33 0.00 -2.04 0.00 0.00 64.34 58.35 3krv n VAL 6 Cb 0.48 -0.79 -0.12 0.00 -1.47 0.00 0.00 33.84 31.94 3krv n VAL 6 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3krv s THR 7 N -4.07 3.50 0.39 3.34 2.01 -1.26 -0.90 115.64 118.66 3krv s THR 7 Ca 0.48 -0.53 -0.25 0.00 0.31 0.00 0.00 61.69 61.70 3krv s THR 7 Cb 0.41 -2.45 -0.09 0.00 0.01 0.00 0.00 72.50 70.38 3krv s THR 7 CO 0.00 0.56 1.10 0.00 -0.69 0.00 0.00 174.62 175.59 3krv s ALA 8 N -0.35 3.13 0.54 7.40 0.00 -1.26 -4.87 121.76 126.35 3krv s ALA 8 Ca 0.04 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 3krv s ALA 8 Cb -0.12 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 3krv s ALA 8 CO 0.02 -0.34 1.06 -2.14 0.00 0.00 0.00 175.76 174.37 3krv s PRO 9 N -2.34 3.50 -0.20 0.00 0.02 -1.26 -4.67 135.00 130.05 3krv s PRO 9 Ca 0.57 1.35 -0.06 0.00 0.02 0.00 0.00 61.00 62.88 3krv s PRO 9 Cb -0.26 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.18 3krv s PRO 9 CO 0.33 -0.68 0.04 0.42 -0.33 0.00 0.00 177.00 176.78 3krv s ILE 10 N -2.12 4.34 0.04 2.83 1.01 -1.26 -4.97 121.20 121.07 3krv s ILE 10 Ca 0.67 -0.18 -0.27 0.00 0.00 0.00 0.00 60.65 60.87 3krv s ILE 10 Cb -0.18 -2.98 0.08 0.00 0.01 0.00 0.00 42.46 39.40 3krv s ILE 10 CO 0.28 0.42 0.70 -0.72 0.00 0.00 0.00 174.94 175.62 3krv s TYR 11 N 0.91 -0.54 0.07 3.97 -0.85 -1.26 -5.10 117.35 114.55 3krv s TYR 11 Ca 0.03 0.60 -0.30 0.00 -0.52 0.00 0.00 57.07 56.87 3krv s TYR 11 Cb -0.14 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 42.61 3krv s TYR 11 CO 0.02 -0.69 1.87 -1.21 -1.52 0.00 0.00 175.55 174.02 3krv s GLU 12 N -2.60 4.15 0.00 -3.49 2.02 -1.26 -2.37 118.70 115.14 3krv s GLU 12 Ca -0.03 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.52 3krv s GLU 12 Cb -0.01 -3.86 0.00 0.00 0.10 0.00 0.00 34.13 30.36 3krv s GLU 12 CO -0.04 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 174.77 3krv n GLY 13 N 4.35 0.88 3.82 -1.39 0.00 -1.26 -5.08 105.19 106.51 3krv n GLY 13 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3krv n GLY 13 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3krv s MET 14 N -0.79 2.60 0.04 1.61 0.23 -1.00 -4.96 119.30 117.03 3krv s MET 14 Ca 0.00 0.77 -0.34 0.00 -1.03 0.00 0.00 55.69 55.09 3krv s MET 14 Cb 0.00 -1.97 -0.13 0.00 -1.53 0.00 0.00 34.83 31.21 3krv s MET 14 CO 0.00 -1.29 1.74 -2.30 -2.03 0.00 0.00 175.02 171.14 3krv n PRO 15 N -3.23 2.21 -4.33 3.16 -0.02 -1.26 -4.99 135.00 126.54 3krv n PRO 15 Ca 0.07 0.80 -0.17 0.00 -2.02 0.00 0.00 63.50 62.18 3krv n PRO 15 Cb 0.55 -2.62 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 3krv n PRO 15 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3krv s VAL 16 N 2.53 1.39 0.14 -1.45 -7.23 -1.26 -4.75 120.40 109.77 3krv s VAL 16 Ca 0.86 -2.11 -0.32 0.00 -1.81 0.00 0.00 61.98 58.60 3krv s VAL 16 Cb -0.67 -2.14 -0.11 0.00 0.56 0.00 0.00 36.38 34.01 3krv s VAL 16 CO 0.44 -0.52 1.78 0.00 -0.31 0.00 0.00 175.10 176.50 3krv n TYR 17 N -0.38 2.60 -1.74 2.82 9.36 -1.26 -1.85 117.16 126.72 3krv n TYR 17 Ca -0.07 -0.05 -0.14 0.00 3.32 0.00 0.00 57.90 60.96 3krv n TYR 17 Cb 0.62 -2.69 -0.04 0.00 -0.63 0.00 0.00 39.34 36.59 3krv n TYR 17 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3krv n LYS 18 N 5.04 -1.58 -1.34 2.98 5.02 -1.26 -2.15 118.16 124.87 3krv n LYS 18 Ca 0.18 0.75 -0.13 0.00 -2.02 0.00 0.00 58.31 57.09 3krv n LYS 18 Cb 0.35 -5.12 -0.06 0.00 -0.02 0.00 0.00 35.03 30.19 3krv n LYS 18 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3krv n ASN 19 N -0.97 -4.70 -4.65 4.39 5.03 -0.77 -4.96 115.26 108.63 3krv n ASN 19 Ca -0.14 0.32 -0.42 0.00 0.87 0.00 0.00 54.58 55.21 3krv n ASN 19 Cb 0.50 -3.86 -0.03 0.00 -1.02 0.00 0.00 39.78 35.38 3krv n ASN 19 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3krv s LYS 20 N -3.03 3.99 0.65 3.52 1.02 -0.92 -4.89 119.74 120.09 3krv s LYS 20 Ca 0.00 2.48 0.42 0.00 0.02 0.00 0.00 55.97 58.89 3krv s LYS 20 Cb 0.00 -4.18 2.32 0.00 -0.52 0.00 0.00 37.83 35.45 3krv s LYS 20 CO 0.00 -1.12 2.35 -1.35 -0.92 0.00 0.00 175.35 174.31 3krv h PRO 21 N 11.18 0.00 -0.00 -1.68 0.11 -1.92 -0.17 132.00 139.52 3krv h PRO 21 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3krv h PRO 21 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3krv h PRO 21 CO 0.95 0.00 -0.02 -0.85 -0.21 0.00 0.00 178.00 177.86 3krv n GLU 22 N -3.24 0.14 0.00 1.05 0.00 -1.26 -2.97 120.64 114.37 3krv n GLU 22 Ca -0.03 -0.01 0.13 0.00 0.00 0.00 0.00 57.16 57.25 3krv n GLU 22 Cb 0.07 -1.50 0.40 0.00 0.00 0.00 0.00 31.44 30.41 3krv n GLU 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3krv n LYS 23 N -1.42 0.32 -2.06 3.44 5.02 -0.08 -4.92 118.16 118.47 3krv n LYS 23 Ca 0.09 -0.16 -0.38 0.00 -2.02 0.00 0.00 58.31 55.85 3krv n LYS 23 Cb 0.31 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 3krv n LYS 23 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3krv s GLN 24 N -2.79 3.60 0.67 1.97 -1.52 -1.16 -4.60 119.66 115.84 3krv s GLN 24 Ca 0.18 2.01 -0.11 0.00 -1.95 0.00 0.00 55.36 55.48 3krv s GLN 24 Cb 0.19 -2.44 -0.01 0.00 -0.22 0.00 0.00 33.01 30.53 3krv s GLN 24 CO 0.59 -0.75 1.06 -1.25 -0.25 0.00 0.00 175.29 174.70 3krv s PRO 25 N -2.66 3.19 -0.04 2.91 0.04 -1.26 -4.79 135.00 132.40 3krv s PRO 25 Ca 0.65 0.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 3krv s PRO 25 Cb -0.34 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.18 3krv s PRO 25 CO 0.42 -0.84 0.04 0.21 0.04 0.00 0.00 177.00 176.87 3krv s LYS 26 N -5.23 0.06 -0.03 4.56 2.47 0.11 -4.41 119.74 117.27 3krv s LYS 26 Ca 0.57 0.25 -0.01 0.00 -1.56 0.00 0.00 55.97 55.21 3krv s LYS 26 Cb -0.11 -0.48 -0.04 0.00 -1.46 0.00 0.00 37.83 35.74 3krv s LYS 26 CO 0.53 -0.25 0.08 1.03 0.16 0.00 0.00 175.35 176.90 3krv s ARG 27 N 1.67 3.10 -0.04 4.03 0.52 -1.26 -0.88 118.95 126.09 3krv s ARG 27 Ca -0.01 -0.43 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 3krv s ARG 27 Cb -0.13 -2.89 0.03 0.00 0.52 0.00 0.00 34.95 32.49 3krv s ARG 27 CO -0.03 0.67 0.06 0.99 0.02 0.00 0.00 175.30 177.01 3krv s THR 28 N -1.13 -0.10 -0.09 0.02 2.01 -0.50 -4.99 115.64 110.86 3krv s THR 28 Ca 0.21 0.34 0.02 0.00 0.31 0.00 0.00 61.69 62.57 3krv s THR 28 Cb -0.12 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 3krv s THR 28 CO 0.11 0.14 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.12 3krv s THR 29 N 1.75 2.73 -0.62 -0.82 2.01 -1.26 -0.85 115.64 118.58 3krv s THR 29 Ca -0.01 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.24 3krv s THR 29 Cb -0.12 -2.09 0.19 0.00 0.01 0.00 0.00 72.50 70.49 3krv s THR 29 CO -0.03 0.55 0.53 -0.38 -0.69 0.00 0.00 174.62 174.60 3krv n ILE 30 N 3.13 1.17 -3.19 1.82 5.41 -1.26 -5.02 119.36 121.41 3krv n ILE 30 Ca -0.18 -4.65 -0.45 0.00 1.00 0.00 0.00 62.75 58.46 3krv n ILE 30 Cb 0.52 -2.06 -0.04 0.00 -0.71 0.00 0.00 39.64 37.35 3krv n ILE 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3krv s THR 31 N -1.44 5.03 0.00 1.39 -1.32 -1.26 -4.92 115.64 113.13 3krv s THR 31 Ca 0.31 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 3krv s THR 31 Cb 0.03 -4.46 0.00 0.00 -1.51 0.00 0.00 72.50 66.57 3krv s THR 31 CO -0.13 -1.06 0.00 -0.62 -2.21 0.00 0.00 174.62 170.60 3krv n GLU 37 N 5.72 0.00 -4.32 7.08 -0.58 -1.26 -5.36 120.64 121.91 3krv n GLU 37 Ca -0.06 0.23 -0.20 0.00 -0.42 0.00 0.00 57.16 56.71 3krv n GLU 37 Cb 0.43 -0.50 -0.15 0.00 -0.57 0.00 0.00 31.44 30.64 3krv n GLU 37 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3krv s SER 38 N -0.06 1.08 0.10 1.62 0.15 -1.26 -4.37 113.70 110.96 3krv s SER 38 Ca 0.00 -0.16 0.06 0.00 0.70 0.00 0.00 55.95 56.54 3krv s SER 38 Cb 0.00 -0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 63.97 3krv s SER 38 CO 0.00 0.05 -0.14 -0.13 1.20 0.00 0.00 173.24 174.22 3krv s ARG 39 N 0.25 0.95 -0.10 5.44 0.52 -0.03 -4.99 118.95 121.00 3krv s ARG 39 Ca -0.04 -1.14 0.04 0.00 -0.52 0.00 0.00 55.73 54.08 3krv s ARG 39 Cb -0.08 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.51 3krv s ARG 39 CO 0.00 0.18 -0.23 -1.50 0.02 0.00 0.00 175.30 173.77 3krv s ILE 40 N -1.83 1.98 -0.24 1.52 1.10 -1.26 -1.40 121.20 121.07 3krv s ILE 40 Ca 0.05 -0.98 0.01 0.00 -0.51 0.00 0.00 60.65 59.22 3krv s ILE 40 Cb -0.07 -1.71 0.04 0.00 0.15 0.00 0.00 42.46 40.87 3krv s ILE 40 CO 0.03 0.54 -0.11 -0.62 -2.11 0.00 0.00 174.94 172.67 3krv s ASP 41 N 0.35 4.07 0.03 4.50 2.15 -0.06 -5.00 116.67 122.71 3krv s ASP 41 Ca -0.18 -1.01 -0.09 0.00 0.43 0.00 0.00 52.55 51.70 3krv s ASP 41 Cb -0.18 -1.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.87 3krv s ASP 41 CO 0.08 -0.12 0.19 0.00 -0.17 0.00 0.00 175.17 175.16 3krv s MET 42 N 1.24 0.66 0.13 4.34 0.23 -1.26 0.06 119.30 124.69 3krv s MET 42 Ca -0.02 -0.57 -0.30 0.00 -1.03 0.00 0.00 55.69 53.77 3krv s MET 42 Cb -0.17 0.27 -0.07 0.00 -1.53 0.00 0.00 34.83 33.33 3krv s MET 42 CO -0.07 -0.19 1.22 0.34 -2.03 0.00 0.00 175.02 174.30 3krv s ASP 43 N -1.93 7.06 0.01 -1.18 2.15 -1.26 -4.92 116.67 116.60 3krv s ASP 43 Ca -0.07 2.15 0.06 0.00 0.43 0.00 0.00 52.55 55.12 3krv s ASP 43 Cb -0.02 -2.59 0.27 0.00 -0.30 0.00 0.00 42.92 40.27 3krv s ASP 43 CO -0.02 -0.44 1.19 1.33 -0.17 0.00 0.00 175.17 177.06 3krv n VAL 44 N 3.25 1.60 -0.92 1.11 0.24 -1.26 -0.79 118.33 121.56 3krv n VAL 44 Ca 0.07 0.42 0.07 0.00 -2.04 0.00 0.00 64.34 62.86 3krv n VAL 44 Cb 0.45 -1.33 0.37 0.00 -1.47 0.00 0.00 33.84 31.86 3krv n VAL 44 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3krv n HIS 45 N -1.54 1.82 -2.16 6.34 8.25 -1.26 -3.65 115.22 123.02 3krv n HIS 45 Ca 0.01 -0.76 -0.39 0.00 -0.26 0.00 0.00 57.72 56.32 3krv n HIS 45 Cb 0.06 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 30.70 3krv n HIS 45 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3krv s THR 46 N -2.77 2.85 0.00 1.59 2.01 0.03 -4.91 115.64 114.45 3krv s THR 46 Ca 0.52 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.27 3krv s THR 46 Cb 0.40 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3krv s THR 46 CO 0.15 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 3krv n GLY 47 N 0.69 1.96 3.69 4.40 0.00 -1.26 -4.25 105.19 110.42 3krv n GLY 47 Ca 0.04 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3krv n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3krv s THR 48 N 0.00 4.06 0.22 2.61 2.01 -1.25 -4.22 115.64 119.07 3krv s THR 48 Ca 0.00 1.40 -0.19 0.00 0.31 0.00 0.00 61.69 63.21 3krv s THR 48 Cb 0.00 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.64 3krv s THR 48 CO 0.00 -0.01 0.59 -1.38 -0.69 0.00 0.00 174.62 173.13 3krv s HIS 49 N 2.33 -0.14 -0.10 4.92 -0.00 -0.18 -1.28 115.29 120.83 3krv s HIS 49 Ca 0.59 -0.22 -0.00 0.00 -0.00 0.00 0.00 55.06 55.43 3krv s HIS 49 Cb -0.27 0.49 -0.03 0.00 -0.00 0.00 0.00 32.58 32.77 3krv s HIS 49 CO 0.23 -1.02 -0.09 0.42 -0.00 0.00 0.00 174.74 174.29 3krv s ILE 50 N -3.89 3.51 0.16 -5.38 1.01 -0.56 -1.37 121.20 114.69 3krv s ILE 50 Ca 0.10 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 3krv s ILE 50 Cb -0.02 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.91 3krv s ILE 50 CO 0.00 0.56 0.64 -1.81 0.00 0.00 0.00 174.94 174.33 3krv s ASP 51 N -0.25 7.01 0.03 3.58 1.01 -0.18 -1.63 116.67 126.24 3krv s ASP 51 Ca 0.03 1.30 -0.01 0.00 0.71 0.00 0.00 52.55 54.58 3krv s ASP 51 Cb -0.13 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 3krv s ASP 51 CO 0.03 0.12 0.18 0.00 0.21 0.00 0.00 175.17 175.71 3krv s ALA 52 N -1.39 3.93 0.43 5.23 0.00 0.55 -4.50 121.76 126.00 3krv s ALA 52 Ca 0.38 -0.83 0.25 0.00 0.00 0.00 0.00 51.96 51.77 3krv s ALA 52 Cb -0.17 -1.81 1.28 0.00 0.00 0.00 0.00 23.12 22.43 3krv s ALA 52 CO 0.20 0.79 1.71 -1.35 0.00 0.00 0.00 175.76 177.12 3krv h PRO 53 N 3.42 0.22 -0.67 0.00 0.11 -1.75 0.07 132.00 133.40 3krv h PRO 53 Ca -0.47 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.82 3krv h PRO 53 Cb 1.17 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3krv h PRO 53 CO 0.72 0.15 0.50 1.25 -0.21 0.00 0.00 178.00 180.41 3krv h LEU 54 N 0.23 0.00 -0.81 2.35 5.85 -1.14 -1.19 115.31 120.60 3krv h LEU 54 Ca 0.68 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.59 3krv h LEU 54 Cb 2.03 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.94 3krv h LEU 54 CO -0.31 0.00 0.25 -0.74 -0.34 0.00 0.00 178.44 177.30 3krv h HIS 55 N 0.00 0.41 -0.00 1.25 2.76 -1.14 -3.27 115.15 115.16 3krv h HIS 55 Ca 0.32 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 3krv h HIS 55 Cb 1.32 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.23 3krv h HIS 55 CO 0.00 -0.08 -0.21 -1.33 -1.30 0.00 0.00 177.93 175.00 3krv n MET 56 N -5.13 4.92 -4.05 5.26 2.81 -0.55 -4.98 117.12 115.40 3krv n MET 56 Ca 0.18 -0.07 -0.32 0.00 -1.81 0.00 0.00 57.70 55.68 3krv n MET 56 Cb 0.55 -0.76 -0.15 0.00 -0.71 0.00 0.00 33.22 32.14 3krv n MET 56 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3krv s VAL 57 N -1.38 2.01 0.30 2.03 1.01 -0.63 -4.99 120.40 118.74 3krv s VAL 57 Ca 0.02 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.32 3krv s VAL 57 Cb 0.04 -2.08 -0.12 0.00 0.00 0.00 0.00 36.38 34.22 3krv s VAL 57 CO 0.19 0.09 1.51 -0.62 0.00 0.00 0.00 175.10 176.27 3krv n GLU 58 N 4.52 2.50 -1.69 2.72 1.02 -1.26 -0.35 120.64 128.11 3krv n GLU 58 Ca -0.15 0.89 -0.17 0.00 -0.02 0.00 0.00 57.16 57.71 3krv n GLU 58 Cb 0.44 -2.62 -0.06 0.00 -0.02 0.00 0.00 31.44 29.19 3krv n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3krv n GLY 59 N 1.76 1.13 3.79 0.62 0.00 -1.26 -4.98 105.19 106.25 3krv n GLY 59 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3krv n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krv s GLY 60 N -2.33 1.98 0.16 -0.02 0.00 0.53 -4.95 107.32 102.69 3krv s GLY 60 Ca 0.00 0.38 -0.34 0.00 0.00 0.00 0.00 44.72 44.76 3krv s GLY 60 CO 0.00 0.71 1.27 0.00 0.00 0.00 0.00 173.10 175.08 3krv n ALA 61 N -2.61 -0.39 -2.01 3.20 0.00 -1.26 -4.00 120.51 113.44 3krv n ALA 61 Ca 0.09 0.47 -0.23 0.00 0.00 0.00 0.00 53.44 53.77 3krv n ALA 61 Cb 0.53 -2.10 0.10 0.00 0.00 0.00 0.00 19.45 17.98 3krv n ALA 61 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3krv s THR 62 N 0.06 2.10 0.26 0.00 -4.23 -1.26 -0.87 115.64 111.69 3krv s THR 62 Ca 0.75 -0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 3krv s THR 62 Cb -0.83 -2.40 0.27 0.00 1.34 0.00 0.00 72.50 70.88 3krv s THR 62 CO 0.50 0.00 1.89 0.15 -0.54 0.00 0.00 174.62 176.61 3krv h PHE 63 N -0.39 1.22 0.00 3.99 3.57 -1.36 -2.22 116.94 121.75 3krv h PHE 63 Ca -0.34 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.19 3krv h PHE 63 Cb 1.27 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.61 3krv h PHE 63 CO -0.08 0.65 0.00 -0.85 -2.23 0.00 0.00 178.31 175.79 3krv n GLU 64 N -4.49 0.00 0.13 1.11 0.00 -1.24 -1.89 120.64 114.26 3krv n GLU 64 Ca 0.15 0.29 0.13 0.00 0.00 0.00 0.00 57.16 57.72 3krv n GLU 64 Cb 0.16 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.39 3krv n GLU 64 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 3krv h THR 65 N 0.00 0.00 -2.57 3.84 1.35 -1.77 -3.44 112.91 110.32 3krv h THR 65 Ca 0.00 -0.65 -0.54 0.00 -0.55 0.00 0.00 66.41 64.67 3krv h THR 65 Cb 0.21 1.56 0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3krv h THR 65 CO 0.00 0.00 1.10 -0.63 -0.25 0.00 0.00 175.52 175.74 3krv s ILE 66 N -3.15 3.23 -0.27 6.82 -1.09 -0.79 -4.91 121.20 121.02 3krv s ILE 66 Ca 0.08 0.44 -0.29 0.00 -2.23 0.00 0.00 60.65 58.65 3krv s ILE 66 Cb 0.10 -3.28 -0.00 0.00 -1.58 0.00 0.00 42.46 37.70 3krv s ILE 66 CO 0.65 -0.03 1.35 -2.16 -1.23 0.00 0.00 174.94 173.52 3krv s PRO 67 N 3.67 3.93 0.46 2.79 0.04 -1.26 -4.88 135.00 139.74 3krv s PRO 67 Ca 0.78 1.35 0.27 0.00 0.04 0.00 0.00 61.00 63.44 3krv s PRO 67 Cb -0.38 -3.89 1.32 0.00 0.04 0.00 0.00 34.50 31.59 3krv s PRO 67 CO 0.34 -1.11 1.77 1.25 0.04 0.00 0.00 177.00 179.29 3krv h LEU 68 N 10.88 0.24 -1.79 -3.56 5.85 -1.93 0.22 115.31 125.23 3krv h LEU 68 Ca -0.27 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3krv h LEU 68 Cb 1.11 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 3krv h LEU 68 CO 1.02 0.03 -0.10 0.78 -0.34 0.00 0.00 178.44 179.83 3krv h ASN 69 N 0.20 0.00 0.94 1.25 2.35 -1.90 -1.54 115.58 116.89 3krv h ASN 69 Ca 0.60 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.29 3krv h ASN 69 Cb 1.92 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.28 3krv h ASN 69 CO -0.19 0.10 -0.30 0.44 -1.65 0.00 0.00 177.43 175.83 3krv h ASP 70 N 0.00 0.00 0.49 5.81 3.32 -0.94 -3.21 116.42 121.89 3krv h ASP 70 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3krv h ASP 70 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3krv h ASP 70 CO 0.01 0.30 -0.39 0.18 -1.72 0.00 0.00 179.24 177.62 3krv n LEU 71 N -3.44 0.54 -4.06 1.55 4.77 -0.60 -4.74 117.00 111.02 3krv n LEU 71 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3krv n LEU 71 Cb 0.48 -0.25 -0.17 0.00 -2.33 0.00 0.00 43.42 41.16 3krv n LEU 71 CO 0.35 0.12 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.34 3krv s VAL 72 N -2.89 1.64 0.00 4.08 1.01 -1.07 -1.27 120.40 121.89 3krv s VAL 72 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3krv s VAL 72 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3krv s VAL 72 CO 0.64 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.82 3krv n GLY 73 N 4.42 1.00 3.72 4.51 0.00 -0.75 -4.83 105.19 113.26 3krv n GLY 73 Ca -0.18 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 3krv n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3krv n PRO 74 N -1.73 1.70 -4.12 1.61 -0.02 -1.26 -1.00 135.00 130.17 3krv n PRO 74 Ca 0.00 0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 3krv n PRO 74 Cb 0.00 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 30.94 3krv n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3krv s LYS 76 N -3.59 1.50 -0.25 0.00 1.02 -0.14 -1.58 119.74 116.69 3krv s LYS 76 Ca 0.32 -0.29 -0.10 0.00 0.02 0.00 0.00 55.97 55.92 3krv s LYS 76 Cb 0.02 -1.42 -0.05 0.00 -0.52 0.00 0.00 37.83 35.86 3krv s LYS 76 CO 0.17 -0.13 0.15 -1.17 -0.92 0.00 0.00 175.35 173.45 3krv s LEU 77 N 1.22 3.98 -0.06 3.17 2.96 -0.08 -0.08 118.68 129.79 3krv s LEU 77 Ca -0.04 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 3krv s LEU 77 Cb -0.14 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 3krv s LEU 77 CO -0.03 0.02 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.62 3krv s PHE 78 N 1.33 3.00 -0.40 5.38 0.08 0.60 -2.03 117.98 125.94 3krv s PHE 78 Ca 0.07 0.07 -0.22 0.00 0.12 0.00 0.00 56.93 56.96 3krv s PHE 78 Cb -0.15 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 3krv s PHE 78 CO 0.06 0.38 0.73 0.34 -0.10 0.00 0.00 175.22 176.64 3krv s ASP 79 N -0.95 6.44 -0.22 1.36 -1.08 -1.26 -1.01 116.67 119.95 3krv s ASP 79 Ca 0.14 0.06 0.15 0.00 -0.52 0.00 0.00 52.55 52.37 3krv s ASP 79 Cb -0.11 -2.37 0.46 0.00 -1.46 0.00 0.00 42.92 39.44 3krv s ASP 79 CO 0.03 -0.77 1.18 0.18 0.52 0.00 0.00 175.17 176.30 3krv n LEU 80 N 6.42 3.02 0.05 -1.34 4.77 0.40 -4.77 117.00 125.55 3krv n LEU 80 Ca 0.01 -3.73 0.13 0.00 -0.03 0.00 0.00 56.01 52.40 3krv n LEU 80 Cb 0.48 -0.15 0.50 0.00 -2.33 0.00 0.00 43.42 41.92 3krv n LEU 80 CO 0.54 1.45 0.90 0.35 -1.33 0.00 0.00 177.39 179.30 3krv n THR 81 N -0.60 0.30 0.51 -5.08 -2.24 -1.09 -2.67 114.28 103.40 3krv n THR 81 Ca 0.24 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 3krv n THR 81 Cb 0.89 -0.52 0.36 0.00 -2.10 0.00 0.00 70.33 68.96 3krv n THR 81 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 3krv h HIS 82 N 0.00 0.00 -4.07 4.78 2.07 -1.90 -3.39 115.15 112.64 3krv h HIS 82 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 3krv h HIS 82 Cb 0.62 0.00 0.07 0.00 2.57 0.00 0.00 27.41 30.67 3krv h HIS 82 CO 0.00 0.00 0.44 0.08 -3.07 0.00 0.00 177.93 175.38 3krv s VAL 83 N -3.15 3.15 0.10 6.12 1.01 -1.09 -5.06 120.40 121.48 3krv s VAL 83 Ca 0.09 0.73 0.10 0.00 0.00 0.00 0.00 61.98 62.90 3krv s VAL 83 Cb 0.10 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3krv s VAL 83 CO 0.60 -0.14 -0.23 0.20 0.00 0.00 0.00 175.10 175.54 3krv s ASN 84 N -1.71 3.53 0.00 3.32 0.01 -1.26 -4.77 114.94 114.06 3krv s ASN 84 Ca 0.72 -0.62 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 3krv s ASN 84 Cb -0.25 -0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.03 3krv s ASN 84 CO 0.28 0.20 0.00 -0.67 -1.51 0.00 0.00 177.10 175.40 3krv n ASP 85 N 1.12 0.00 -3.49 -1.22 2.03 -1.26 -4.76 116.55 108.97 3krv n ASP 85 Ca -0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.01 3krv n ASP 85 Cb 0.53 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 3krv n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3krv s ARG 86 N 0.00 1.18 -0.28 -0.67 1.70 -1.26 -3.63 118.95 115.98 3krv s ARG 86 Ca 0.00 -0.33 -0.16 0.00 -0.47 0.00 0.00 55.73 54.77 3krv s ARG 86 Cb 0.00 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 3krv s ARG 86 CO 0.00 -0.47 0.42 0.42 -1.08 0.00 0.00 175.30 174.58 3krv s ILE 87 N -3.10 5.13 0.39 4.99 1.01 0.07 -4.90 121.20 124.79 3krv s ILE 87 Ca -0.02 0.55 0.08 0.00 0.00 0.00 0.00 60.65 61.26 3krv s ILE 87 Cb -0.00 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3krv s ILE 87 CO -0.07 0.07 0.46 0.42 0.00 0.00 0.00 174.94 175.83 3krv s THR 88 N 2.15 3.19 0.31 2.92 -4.23 -1.26 -0.79 115.64 117.93 3krv s THR 88 Ca 0.16 -1.14 0.05 0.00 -1.18 0.00 0.00 61.69 59.59 3krv s THR 88 Cb -0.16 -3.10 0.30 0.00 1.34 0.00 0.00 72.50 70.88 3krv s THR 88 CO 0.10 -0.05 1.82 0.50 -0.54 0.00 0.00 174.62 176.45 3krv h LYS 89 N 0.87 0.80 0.00 3.99 3.64 -1.90 -1.82 116.57 122.15 3krv h LYS 89 Ca -0.42 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 3krv h LYS 89 Cb 1.27 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3krv h LYS 89 CO 0.52 0.53 -0.23 0.22 -2.27 0.00 0.00 179.45 178.21 3krv h ASP 90 N 0.82 0.00 0.90 4.20 3.58 -1.96 0.60 116.42 124.56 3krv h ASP 90 Ca 0.51 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.94 3krv h ASP 90 Cb 0.72 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 3krv h ASP 90 CO -0.29 0.23 -0.11 0.44 -2.88 0.00 0.00 179.24 176.63 3krv h ASP 91 N 0.00 0.00 0.00 2.28 3.32 -1.72 -3.36 116.42 116.95 3krv h ASP 91 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3krv h ASP 91 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3krv h ASP 91 CO 0.03 0.11 0.00 2.30 -1.72 0.00 0.00 179.24 179.96 3krv n ILE 92 N -3.28 0.00 -0.31 0.35 -5.35 -0.80 -4.78 119.36 105.19 3krv n ILE 92 Ca 0.00 -0.39 0.28 0.00 -0.27 0.00 0.00 62.75 62.37 3krv n ILE 92 Cb 0.35 1.00 0.62 0.00 -1.74 0.00 0.00 39.64 39.87 3krv n ILE 92 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3krv h ALA 93 N 0.00 2.64 -0.00 -1.28 0.00 -1.05 -1.58 119.26 117.98 3krv h ALA 93 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3krv h ALA 93 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3krv h ALA 93 CO 0.00 -1.01 -0.47 -2.39 0.00 0.00 0.00 179.25 175.38 3krv n HIS 94 N -4.43 0.00 -2.58 0.00 1.44 -1.26 -4.93 115.22 103.45 3krv n HIS 94 Ca 0.25 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.62 3krv n HIS 94 Cb 1.04 -0.25 -0.04 0.00 0.12 0.00 0.00 29.99 30.86 3krv n HIS 94 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3krv s LEU 95 N -2.96 3.86 -1.15 2.39 1.43 -0.60 -4.92 118.68 116.73 3krv s LEU 95 Ca 0.12 1.90 -0.22 0.00 -1.03 0.00 0.00 54.13 54.90 3krv s LEU 95 Cb 0.18 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.83 3krv s LEU 95 CO 0.68 -0.72 1.80 -0.62 0.23 0.00 0.00 176.35 177.72 3krv s ASP 96 N -2.00 5.84 -0.29 2.29 2.15 -1.26 -4.90 116.67 118.50 3krv s ASP 96 Ca 0.66 -1.71 0.01 0.00 0.43 0.00 0.00 52.55 51.94 3krv s ASP 96 Cb -0.15 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 39.95 3krv s ASP 96 CO 0.19 -2.19 -0.04 -0.63 -0.17 0.00 0.00 175.17 172.33 3krv s ILE 97 N 7.81 2.61 0.51 4.11 1.01 -1.26 -5.11 121.20 130.88 3krv s ILE 97 Ca 0.61 -1.55 0.07 0.00 0.00 0.00 0.00 60.65 59.77 3krv s ILE 97 Cb -0.00 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.96 3krv s ILE 97 CO 0.06 -0.11 0.49 -1.10 0.00 0.00 0.00 174.94 174.28 3krv s GLN 98 N 1.17 2.35 0.25 2.79 -1.52 -1.26 -5.04 119.66 118.40 3krv s GLN 98 Ca -0.06 -1.79 -0.30 0.00 -1.95 0.00 0.00 55.36 51.26 3krv s GLN 98 Cb -0.20 -2.32 -0.10 0.00 -0.22 0.00 0.00 33.01 30.17 3krv s GLN 98 CO -0.03 -0.56 1.45 -2.00 -0.25 0.00 0.00 175.29 173.91 3krv s GLU 99 N -4.33 4.25 0.00 2.91 2.12 -1.23 -3.14 118.70 119.28 3krv s GLU 99 Ca 0.45 2.32 0.00 0.00 0.36 0.00 0.00 54.97 58.10 3krv s GLU 99 Cb -0.03 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.25 3krv s GLU 99 CO 0.27 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 3krv n GLY 100 N 2.26 0.88 3.77 -1.50 0.00 0.99 -4.91 105.19 106.67 3krv n GLY 100 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3krv n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3krv s ASP 101 N -2.86 5.67 -0.29 1.61 1.11 -1.19 -4.05 116.67 116.68 3krv s ASP 101 Ca 0.00 2.18 -0.07 0.00 0.18 0.00 0.00 52.55 54.83 3krv s ASP 101 Cb 0.00 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.41 3krv s ASP 101 CO 0.00 -1.25 0.09 0.12 1.18 0.00 0.00 175.17 175.31 3krv s PHE 102 N -1.79 3.14 -0.06 4.23 5.36 -1.26 -1.22 117.98 126.38 3krv s PHE 102 Ca 0.73 -0.84 0.02 0.00 -0.96 0.00 0.00 56.93 55.87 3krv s PHE 102 Cb -0.24 -2.27 -0.03 0.00 -0.34 0.00 0.00 43.02 40.15 3krv s PHE 102 CO 0.28 -0.53 -0.09 0.14 -1.46 0.00 0.00 175.22 173.55 3krv s VAL 103 N 1.53 3.48 -0.06 3.12 -7.23 -0.10 -0.97 120.40 120.17 3krv s VAL 103 Ca 0.03 -0.56 0.04 0.00 -1.81 0.00 0.00 61.98 59.69 3krv s VAL 103 Cb -0.17 -2.40 -0.00 0.00 0.56 0.00 0.00 36.38 34.37 3krv s VAL 103 CO 0.03 0.60 -0.20 -0.76 -0.31 0.00 0.00 175.10 174.46 3krv s LEU 104 N -0.77 1.95 -0.25 1.32 1.43 0.89 -0.07 118.68 123.18 3krv s LEU 104 Ca 0.12 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3krv s LEU 104 Cb -0.11 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 45.00 3krv s LEU 104 CO 0.01 0.16 -0.03 -0.36 0.23 0.00 0.00 176.35 176.36 3krv s PHE 105 N 0.11 3.04 -0.11 0.29 0.08 0.09 -0.29 117.98 121.20 3krv s PHE 105 Ca -0.08 -1.25 -0.23 0.00 0.12 0.00 0.00 56.93 55.49 3krv s PHE 105 Cb -0.14 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 3krv s PHE 105 CO 0.04 -0.65 0.68 0.21 -0.10 0.00 0.00 175.22 175.41 3krv s LYS 106 N 1.41 4.36 0.24 0.44 2.20 -0.18 -3.80 119.74 124.40 3krv s LYS 106 Ca 0.02 0.80 0.02 0.00 -0.36 0.00 0.00 55.97 56.46 3krv s LYS 106 Cb -0.16 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 3krv s LYS 106 CO -0.03 -0.05 0.08 0.25 -0.36 0.00 0.00 175.35 175.24 3krv n THR 107 N 4.11 0.00 0.17 3.43 -2.24 -1.26 -0.45 114.28 118.04 3krv n THR 107 Ca -0.01 -1.37 0.18 0.00 -2.27 0.00 0.00 64.05 60.58 3krv n THR 107 Cb 0.51 0.49 0.80 0.00 -2.10 0.00 0.00 70.33 70.02 3krv n THR 107 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3krv h LYS 108 N 0.00 0.00 -0.87 -0.78 1.57 -1.80 -2.29 116.57 112.40 3krv h LYS 108 Ca -0.18 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3krv h LYS 108 Cb 0.70 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 3krv h LYS 108 CO 0.29 0.00 0.57 -0.91 -0.57 0.00 0.00 179.45 178.83 3krv h ASN 109 N 0.00 0.86 0.00 0.86 2.35 -1.94 -1.67 115.58 116.04 3krv h ASN 109 Ca 0.12 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3krv h ASN 109 Cb 0.66 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3krv h ASN 109 CO -0.00 0.55 0.03 0.28 -1.65 0.00 0.00 177.43 176.64 3krv h SER 110 N 0.98 0.00 -0.57 5.81 0.02 -1.62 -1.63 113.55 116.54 3krv h SER 110 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3krv h SER 110 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3krv h SER 110 CO -0.14 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.04 3krv n PHE 111 N -2.88 1.47 -5.18 3.45 3.72 -0.63 -4.26 117.46 113.14 3krv n PHE 111 Ca -0.03 -0.66 -0.32 0.00 -0.05 0.00 0.00 57.45 56.40 3krv n PHE 111 Cb 0.09 -0.29 -0.16 0.00 -0.94 0.00 0.00 39.48 38.18 3krv n PHE 111 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3krv s GLU 112 N -2.09 2.62 -0.09 -1.08 2.02 -0.61 -5.02 118.70 114.45 3krv s GLU 112 Ca 0.49 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.58 3krv s GLU 112 Cb 0.33 -2.23 -0.26 0.00 0.10 0.00 0.00 34.13 32.07 3krv s GLU 112 CO 0.20 0.39 0.49 -0.44 0.02 0.00 0.00 175.26 175.93 3krv h ASP 113 N 6.05 0.37 -3.33 -0.19 3.32 -1.90 -3.48 116.42 117.25 3krv h ASP 113 Ca -0.33 -0.76 -0.47 0.00 0.02 0.00 0.00 57.03 55.50 3krv h ASP 113 Cb 1.18 -0.12 0.04 0.00 0.22 0.00 0.00 39.33 40.65 3krv h ASP 113 CO 0.48 1.67 0.07 0.00 -1.72 0.00 0.00 179.24 179.74 3krv s ALA 114 N -2.57 3.47 0.24 3.45 0.00 -1.26 -4.72 121.76 120.37 3krv s ALA 114 Ca -0.17 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 3krv s ALA 114 Cb 0.07 -2.44 -0.10 0.00 0.00 0.00 0.00 23.12 20.65 3krv s ALA 114 CO 0.80 -0.59 1.38 0.12 0.00 0.00 0.00 175.76 177.47 3krv s PHE 115 N -2.80 3.11 -0.13 0.00 5.36 -1.26 -5.04 117.98 117.21 3krv s PHE 115 Ca 0.51 1.14 0.03 0.00 -0.96 0.00 0.00 56.93 57.65 3krv s PHE 115 Cb -0.10 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 3krv s PHE 115 CO 0.43 -2.29 -0.22 -1.01 -1.46 0.00 0.00 175.22 170.67 3krv s HIS 116 N -0.09 2.65 0.40 10.12 3.76 -1.26 -5.01 115.29 125.86 3krv s HIS 116 Ca 0.57 -1.18 0.08 0.00 -0.15 0.00 0.00 55.06 54.38 3krv s HIS 116 Cb -0.40 -1.79 0.84 0.00 1.11 0.00 0.00 32.58 32.35 3krv s HIS 116 CO 0.42 -0.51 2.01 0.74 -0.85 0.00 0.00 174.74 176.55 3krv h PHE 117 N 7.08 0.43 -1.56 1.40 0.04 -2.00 -3.14 116.94 119.18 3krv h PHE 117 Ca -0.27 -0.01 -0.68 0.00 2.80 0.00 0.00 57.97 59.81 3krv h PHE 117 Cb 1.21 -0.14 -0.25 0.00 2.20 0.00 0.00 35.95 38.97 3krv h PHE 117 CO 0.48 0.34 0.87 0.39 -0.60 0.00 0.00 178.31 179.78 3krv n GLU 118 N -4.41 2.62 -1.70 1.51 1.02 -1.26 -5.01 120.64 113.41 3krv n GLU 118 Ca 0.02 -3.14 -0.33 0.00 -0.02 0.00 0.00 57.16 53.69 3krv n GLU 118 Cb 0.13 -2.21 0.05 0.00 -0.02 0.00 0.00 31.44 29.39 3krv n GLU 118 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3krv s PHE 119 N -3.44 2.62 -0.10 -0.32 -0.12 -1.19 -4.81 117.98 110.62 3krv s PHE 119 Ca 0.55 1.55 -0.30 0.00 -0.05 0.00 0.00 56.93 58.68 3krv s PHE 119 Cb 0.43 -3.15 -0.03 0.00 -0.63 0.00 0.00 43.02 39.64 3krv s PHE 119 CO -0.29 -1.69 1.40 0.42 -0.05 0.00 0.00 175.22 175.00 3krv s ILE 120 N -2.41 3.99 0.35 -4.49 -1.09 -1.26 -4.80 121.20 111.50 3krv s ILE 120 Ca 0.66 1.24 0.07 0.00 -2.23 0.00 0.00 60.65 60.39 3krv s ILE 120 Cb -0.20 -3.80 -0.07 0.00 -1.58 0.00 0.00 42.46 36.81 3krv s ILE 120 CO 0.43 -0.09 -0.02 0.72 -1.23 0.00 0.00 174.94 174.75 3krv s PHE 121 N 3.44 2.29 -0.30 3.97 -0.12 -1.24 -4.72 117.98 121.30 3krv s PHE 121 Ca 0.62 -0.68 -0.20 0.00 -0.05 0.00 0.00 56.93 56.61 3krv s PHE 121 Cb -0.27 -1.47 -0.01 0.00 -0.63 0.00 0.00 43.02 40.64 3krv s PHE 121 CO 0.21 0.37 0.60 0.08 -0.05 0.00 0.00 175.22 176.44 3krv s VAL 122 N -2.85 4.96 0.53 -2.49 1.01 -0.54 -0.75 120.40 120.28 3krv s VAL 122 Ca 0.34 0.83 -0.18 0.00 0.00 0.00 0.00 61.98 62.97 3krv s VAL 122 Cb 0.07 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 3krv s VAL 122 CO 0.16 -0.11 1.03 0.00 0.00 0.00 0.00 175.10 176.19 3krv s ALA 123 N 2.54 2.85 0.29 5.51 0.00 0.03 -4.73 121.76 128.25 3krv s ALA 123 Ca 0.24 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 3krv s ALA 123 Cb -0.15 -3.22 0.63 0.00 0.00 0.00 0.00 23.12 20.38 3krv s ALA 123 CO 0.11 -0.49 1.54 -1.91 0.00 0.00 0.00 175.76 175.02 3krv n GLU 124 N -1.47 -0.08 -0.09 0.00 2.13 -1.26 -0.24 120.64 119.62 3krv n GLU 124 Ca 0.09 1.50 -0.08 0.00 0.66 0.00 0.00 57.16 59.33 3krv n GLU 124 Cb 0.53 -2.32 0.09 0.00 0.27 0.00 0.00 31.44 30.01 3krv n GLU 124 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 3krv h ASP 125 N 0.00 0.79 -0.52 4.31 -0.00 -1.93 -0.86 116.42 118.22 3krv h ASP 125 Ca 0.55 -0.28 -0.12 0.00 -0.00 0.00 0.00 57.03 57.18 3krv h ASP 125 Cb 1.02 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 40.12 3krv h ASP 125 CO -0.96 0.98 -0.14 0.00 -0.00 0.00 0.00 179.24 179.12 3krv h ALA 126 N 1.08 0.75 -0.16 4.15 0.00 -1.41 -1.44 119.26 122.23 3krv h ALA 126 Ca 0.10 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3krv h ALA 126 Cb 0.71 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3krv h ALA 126 CO 0.05 0.67 0.09 0.00 0.00 0.00 0.00 179.25 180.07 3krv h ALA 127 N 0.93 0.20 -0.29 0.00 0.00 -0.34 -1.38 119.26 118.39 3krv h ALA 127 Ca 0.13 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3krv h ALA 127 Cb 0.72 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3krv h ALA 127 CO 0.05 -0.33 0.09 -0.09 0.00 0.00 0.00 179.25 178.98 3krv h ARG 128 N 0.20 0.21 -0.86 0.00 2.43 -1.03 0.95 114.38 116.27 3krv h ARG 128 Ca 0.06 -0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.37 3krv h ARG 128 Cb -0.00 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.40 3krv h ARG 128 CO -0.03 0.14 0.45 -0.92 -1.51 0.00 0.00 179.97 178.10 3krv h TYR 129 N 0.22 0.79 -0.09 2.20 3.20 -1.14 -1.79 116.97 120.36 3krv h TYR 129 Ca 0.13 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3krv h TYR 129 Cb 0.10 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3krv h TYR 129 CO -0.14 0.20 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.30 3krv h LEU 130 N 0.65 0.35 -0.67 2.82 3.38 -0.07 -2.52 115.31 119.24 3krv h LEU 130 Ca 0.47 -0.58 0.14 0.00 0.09 0.00 0.00 57.88 58.00 3krv h LEU 130 Cb 0.65 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.19 3krv h LEU 130 CO -0.36 0.86 0.05 0.00 0.09 0.00 0.00 178.44 179.09 3krv h ALA 131 N 0.49 0.73 0.00 1.53 0.00 -0.73 -1.75 119.26 119.53 3krv h ALA 131 Ca -0.00 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3krv h ALA 131 Cb 0.82 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3krv h ALA 131 CO 0.05 -0.38 -0.18 -0.44 0.00 0.00 0.00 179.25 178.30 3krv h ASP 132 N 0.16 0.00 1.21 0.00 3.32 -1.21 -0.80 116.42 119.10 3krv h ASP 132 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3krv h ASP 132 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3krv h ASP 132 CO -0.54 0.18 0.00 0.11 -1.72 0.00 0.00 179.24 177.26 3krv h LYS 133 N 0.00 0.00 -5.89 3.56 1.79 -0.88 -3.48 116.57 111.67 3krv h LYS 133 Ca -0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 3krv h LYS 133 Cb 0.54 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.30 3krv h LYS 133 CO 0.02 0.00 -0.84 1.04 -1.08 0.00 0.00 179.45 178.59 3krv n GLN 134 N -2.37 -4.08 -1.98 3.15 1.13 -0.31 -3.46 117.38 109.46 3krv n GLN 134 Ca 0.04 0.69 -0.34 0.00 -1.94 0.00 0.00 57.00 55.45 3krv n GLN 134 Cb 0.36 -5.29 0.03 0.00 0.11 0.00 0.00 30.24 25.44 3krv n GLN 134 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3krv s ILE 135 N -3.52 3.30 -0.15 5.09 -4.36 -1.24 -0.01 121.20 120.32 3krv s ILE 135 Ca 0.18 0.68 0.15 0.00 -0.26 0.00 0.00 60.65 61.39 3krv s ILE 135 Cb -0.04 -3.21 0.03 0.00 1.25 0.00 0.00 42.46 40.50 3krv s ILE 135 CO 0.79 -0.30 1.37 0.08 0.24 0.00 0.00 174.94 177.12 3krv h ARG 136 N 0.51 0.00 -2.37 0.37 0.11 -1.31 -3.42 114.38 108.27 3krv h ARG 136 Ca -0.48 0.00 0.09 0.00 0.10 0.00 0.00 59.98 59.69 3krv h ARG 136 Cb 1.25 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.18 3krv h ARG 136 CO 0.56 0.49 0.45 0.20 0.10 0.00 0.00 179.97 181.77 3krv s GLY 137 N -4.50 -0.48 -0.02 0.08 0.00 -1.16 -1.44 107.32 99.79 3krv s GLY 137 Ca 0.03 0.96 0.02 0.00 0.00 0.00 0.00 44.72 45.73 3krv s GLY 137 CO 0.75 0.33 -0.06 0.54 0.00 0.00 0.00 173.10 174.66 3krv s VAL 138 N -3.17 0.57 0.01 1.40 0.11 0.02 -0.93 120.40 118.42 3krv s VAL 138 Ca 0.04 -0.23 0.09 0.00 -2.93 0.00 0.00 61.98 58.95 3krv s VAL 138 Cb -0.01 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 3krv s VAL 138 CO -0.09 0.20 -0.26 -0.83 -3.33 0.00 0.00 175.10 170.78 3krv s GLY 139 N 0.33 1.35 0.16 6.54 0.00 0.90 -1.35 107.32 115.25 3krv s GLY 139 Ca -0.04 -1.19 0.08 0.00 0.00 0.00 0.00 44.72 43.56 3krv s GLY 139 CO 0.00 -1.04 -0.18 -1.50 0.00 0.00 0.00 173.10 170.38 3krv s ILE 140 N -0.72 1.75 -0.36 0.90 1.10 -0.44 -0.73 121.20 122.70 3krv s ILE 140 Ca 0.11 -1.90 0.08 0.00 -0.51 0.00 0.00 60.65 58.43 3krv s ILE 140 Cb -0.10 -1.81 0.69 0.00 0.15 0.00 0.00 42.46 41.39 3krv s ILE 140 CO 0.01 -0.34 1.76 -0.90 -2.11 0.00 0.00 174.94 173.35 3krv n ASP 141 N 0.30 4.56 -4.64 4.50 5.68 -1.25 -2.00 116.55 123.70 3krv n ASP 141 Ca -0.13 -3.18 -0.25 0.00 -0.50 0.00 0.00 54.79 50.73 3krv n ASP 141 Cb 0.57 -0.74 -0.08 0.00 -1.14 0.00 0.00 41.12 39.73 3krv n ASP 141 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3krv s ALA 142 N -2.85 3.13 -0.14 2.12 0.00 -1.26 -4.43 121.76 118.33 3krv s ALA 142 Ca 0.52 -1.50 0.23 0.00 0.00 0.00 0.00 51.96 51.21 3krv s ALA 142 Cb 0.42 -0.85 1.26 0.00 0.00 0.00 0.00 23.12 23.95 3krv s ALA 142 CO 0.12 0.39 1.72 -0.07 0.00 0.00 0.00 175.76 177.92 3krv h LEU 143 N 2.41 0.00 -7.77 0.00 3.38 -1.92 -0.24 115.31 111.17 3krv h LEU 143 Ca -0.46 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 3krv h LEU 143 Cb 1.22 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.74 3krv h LEU 143 CO 0.58 0.00 -0.59 -0.83 0.09 0.00 0.00 178.44 177.69 3krv s GLY 144 N -3.60 0.06 0.00 0.83 0.00 -1.26 -4.62 107.32 98.73 3krv s GLY 144 Ca -0.02 -0.12 0.28 0.00 0.00 0.00 0.00 44.72 44.86 3krv s GLY 144 CO 0.22 -0.20 1.91 4.51 0.00 0.00 0.00 173.10 179.55 3krv n ILE 145 N 2.07 0.02 -3.70 0.90 3.06 -1.26 -4.88 119.36 115.56 3krv n ILE 145 Ca -0.19 -0.14 -0.13 0.00 -2.50 0.00 0.00 62.75 59.79 3krv n ILE 145 Cb 0.57 0.02 -0.09 0.00 0.54 0.00 0.00 39.64 40.68 3krv n ILE 145 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 3krv s GLU 146 N -1.98 0.59 0.20 9.51 2.12 -1.26 -1.46 118.70 126.42 3krv s GLU 146 Ca 0.40 0.71 -0.19 0.00 0.36 0.00 0.00 54.97 56.26 3krv s GLU 146 Cb 0.20 0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.91 3krv s GLU 146 CO 0.33 -0.07 0.55 -0.98 -0.54 0.00 0.00 175.26 174.55 3krv s ARG 147 N 0.30 1.41 -1.45 4.30 1.70 -1.26 -4.99 118.95 118.95 3krv s ARG 147 Ca -0.00 -0.83 -0.08 0.00 -0.47 0.00 0.00 55.73 54.35 3krv s ARG 147 Cb -0.04 0.54 0.04 0.00 -0.57 0.00 0.00 34.95 34.92 3krv s ARG 147 CO 0.00 -0.61 0.68 0.00 -1.08 0.00 0.00 175.30 174.29 3krv n ALA 148 N -0.36 -1.08 -3.42 7.88 0.00 -1.26 -4.94 120.51 117.33 3krv n ALA 148 Ca -0.10 0.22 -0.24 0.00 0.00 0.00 0.00 53.44 53.31 3krv n ALA 148 Cb 0.62 -3.77 -0.10 0.00 0.00 0.00 0.00 19.45 16.20 3krv n ALA 148 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3krv s GLN 149 N -6.00 0.58 0.27 0.00 -0.21 -1.26 -5.13 119.66 107.92 3krv s GLN 149 Ca 0.42 -1.16 -0.29 0.00 0.02 0.00 0.00 55.36 54.34 3krv s GLN 149 Cb -0.20 -1.07 -0.14 0.00 1.00 0.00 0.00 33.01 32.60 3krv s GLN 149 CO 0.51 -1.21 1.19 -1.91 -2.12 0.00 0.00 175.29 171.76 3krv n GLU 150 N 4.11 1.67 -0.99 2.91 2.13 -1.26 -1.88 120.64 127.32 3krv n GLU 150 Ca 0.12 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.53 3krv n GLU 150 Cb 0.40 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.02 3krv n GLU 150 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3krv n GLY 151 N 1.43 0.81 3.90 8.31 0.00 -1.26 -4.45 105.19 113.94 3krv n GLY 151 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 3krv n GLY 151 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3krv n HIS 152 N -2.32 -1.70 0.21 1.61 8.25 -0.79 -4.89 115.22 115.59 3krv n HIS 152 Ca 0.00 0.73 0.13 0.00 -0.26 0.00 0.00 57.72 58.32 3krv n HIS 152 Cb 0.00 -3.79 0.73 0.00 1.12 0.00 0.00 29.99 28.06 3krv n HIS 152 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3krv h PRO 153 N -1.85 0.00 0.10 -0.41 0.13 -1.78 -2.76 132.00 125.43 3krv h PRO 153 Ca -0.63 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3krv h PRO 153 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3krv h PRO 153 CO 0.60 0.00 -0.05 1.15 -0.23 0.00 0.00 178.00 179.47 3krv h THR 154 N 0.00 1.09 0.22 1.56 2.02 -1.90 0.53 112.91 116.44 3krv h THR 154 Ca 0.06 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.46 3krv h THR 154 Cb 0.28 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 3krv h THR 154 CO -0.00 0.19 -0.28 0.45 0.37 0.00 0.00 175.52 176.25 3krv h HIS 155 N -0.51 -0.74 -0.21 3.16 3.86 -1.90 -2.21 115.15 116.61 3krv h HIS 155 Ca -0.01 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 3krv h HIS 155 Cb 0.42 0.30 -0.06 0.00 1.06 0.00 0.00 27.41 29.12 3krv h HIS 155 CO 0.04 -0.39 -0.18 0.87 0.86 0.00 0.00 177.93 179.13 3krv h LYS 156 N -0.55 -0.19 -0.45 2.45 1.57 -1.54 0.88 116.57 118.75 3krv h LYS 156 Ca 0.00 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3krv h LYS 156 Cb 0.53 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 3krv h LYS 156 CO -0.09 -0.12 0.09 1.15 -0.57 0.00 0.00 179.45 179.90 3krv h THR 157 N -0.19 0.76 -0.16 -0.16 2.02 -0.87 0.18 112.91 114.49 3krv h THR 157 Ca 0.12 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 3krv h THR 157 Cb 0.38 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3krv h THR 157 CO -0.32 0.04 -0.00 -0.07 0.37 0.00 0.00 175.52 175.54 3krv h LEU 158 N 0.23 0.28 -0.34 2.58 3.38 -0.74 -2.81 115.31 117.88 3krv h LEU 158 Ca 0.22 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3krv h LEU 158 Cb 0.27 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3krv h LEU 158 CO -0.28 0.53 0.13 -0.26 0.09 0.00 0.00 178.44 178.64 3krv h PHE 159 N 0.03 0.23 -0.19 1.13 0.04 0.97 -1.19 116.94 117.97 3krv h PHE 159 Ca 0.05 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.89 3krv h PHE 159 Cb 0.38 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3krv h PHE 159 CO 0.03 0.10 0.15 0.77 -0.60 0.00 0.00 178.31 178.76 3krv h SER 160 N 0.28 0.00 -0.31 2.17 0.02 -0.55 -0.59 113.55 114.56 3krv h SER 160 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3krv h SER 160 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3krv h SER 160 CO -0.15 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.54 3krv n ALA 161 N -2.51 2.46 -1.75 3.77 0.00 -1.04 -4.93 120.51 116.52 3krv n ALA 161 Ca 0.02 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.71 3krv n ALA 161 Cb 0.28 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 3krv n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3krv n GLY 162 N 1.09 0.80 3.68 0.00 0.00 -0.23 -4.96 105.19 105.58 3krv n GLY 162 Ca 0.13 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3krv n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krv s VAL 163 N -2.60 4.99 0.26 1.61 1.01 -0.48 -4.88 120.40 120.33 3krv s VAL 163 Ca 0.00 1.37 -0.29 0.00 0.00 0.00 0.00 61.98 63.05 3krv s VAL 163 Cb 0.00 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 3krv s VAL 163 CO 0.00 0.13 1.18 -0.63 0.00 0.00 0.00 175.10 175.78 3krv s ILE 164 N 1.66 3.33 -0.26 2.22 1.01 -0.52 -4.38 121.20 124.26 3krv s ILE 164 Ca 0.33 1.26 -0.05 0.00 0.00 0.00 0.00 60.65 62.19 3krv s ILE 164 Cb -0.16 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 3krv s ILE 164 CO 0.13 0.27 0.03 -0.63 0.00 0.00 0.00 174.94 174.73 3krv s ILE 165 N -0.81 3.74 -0.22 2.92 1.01 -1.26 -0.80 121.20 125.78 3krv s ILE 165 Ca 0.48 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 3krv s ILE 165 Cb -0.34 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 3krv s ILE 165 CO 0.42 0.24 0.11 -0.63 0.00 0.00 0.00 174.94 175.09 3krv s ILE 166 N 1.50 4.98 0.35 2.92 1.01 -0.46 -1.01 121.20 130.49 3krv s ILE 166 Ca 0.04 0.04 0.09 0.00 0.00 0.00 0.00 60.65 60.82 3krv s ILE 166 Cb -0.16 -3.30 -0.06 0.00 0.01 0.00 0.00 42.46 38.96 3krv s ILE 166 CO 0.00 0.39 0.02 -1.61 0.00 0.00 0.00 174.94 173.74 3krv s GLU 167 N 0.89 2.08 -0.02 2.79 2.02 -0.47 -1.33 118.70 124.66 3krv s GLU 167 Ca 0.06 -1.77 0.00 0.00 0.02 0.00 0.00 54.97 53.27 3krv s GLU 167 Cb -0.13 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.18 3krv s GLU 167 CO 0.03 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.83 3krv n GLY 168 N -0.97 0.46 3.66 -1.39 0.00 -0.10 -1.01 105.19 105.84 3krv n GLY 168 Ca -0.04 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 3krv n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3krv n LEU 169 N -0.02 3.97 -4.10 0.99 4.77 -0.85 -3.93 117.00 117.83 3krv n LEU 169 Ca -0.00 0.96 -0.33 0.00 -0.03 0.00 0.00 56.01 56.61 3krv n LEU 169 Cb 0.01 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 39.51 3krv n LEU 169 CO 0.00 -1.20 -0.35 -0.13 -1.33 0.00 0.00 177.39 174.37 3krv s ARG 170 N -2.50 2.07 0.00 3.23 1.81 -0.08 -4.42 118.95 119.06 3krv s ARG 170 Ca 0.69 -1.53 0.02 0.00 -1.72 0.00 0.00 55.73 53.19 3krv s ARG 170 Cb -0.47 -3.16 0.05 0.00 -0.45 0.00 0.00 34.95 30.92 3krv s ARG 170 CO 0.52 -0.75 0.86 1.28 -0.68 0.00 0.00 175.30 176.53 3krv n LEU 171 N 4.47 1.80 0.33 2.53 4.77 -1.26 -4.48 117.00 125.15 3krv n LEU 171 Ca -0.08 -1.60 0.21 0.00 -0.03 0.00 0.00 56.01 54.51 3krv n LEU 171 Cb 0.42 -0.03 1.12 0.00 -2.33 0.00 0.00 43.42 42.60 3krv n LEU 171 CO 0.25 0.44 1.17 0.07 -1.33 0.00 0.00 177.39 177.99 3krv h LYS 172 N 0.44 0.00 -0.38 3.23 2.10 -1.95 -2.58 116.57 117.43 3krv h LYS 172 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3krv h LYS 172 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 3krv h LYS 172 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3krv n ASP 173 N -3.17 3.34 -4.35 7.07 8.00 -1.26 -4.92 116.55 121.25 3krv n ASP 173 Ca -0.03 -1.95 -0.36 0.00 0.71 0.00 0.00 54.79 53.16 3krv n ASP 173 Cb 0.13 -0.25 -0.13 0.00 -0.02 0.00 0.00 41.12 40.85 3krv n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3krv s VAL 174 N -1.35 3.72 0.54 2.53 1.01 -0.98 -5.09 120.40 120.77 3krv s VAL 174 Ca 0.36 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 3krv s VAL 174 Cb 0.21 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 3krv s VAL 174 CO 0.29 0.34 1.32 -2.84 0.00 0.00 0.00 175.10 174.20 3krv s PRO 175 N 1.52 3.22 0.20 2.72 0.02 -1.26 -4.93 135.00 136.49 3krv s PRO 175 Ca 0.05 2.14 -0.31 0.00 0.02 0.00 0.00 61.00 62.90 3krv s PRO 175 Cb -0.15 -2.26 -0.15 0.00 0.02 0.00 0.00 34.50 31.96 3krv s PRO 175 CO -0.00 -1.10 1.07 -1.91 -0.33 0.00 0.00 177.00 174.73 3krv n GLU 176 N -0.98 1.09 -2.83 5.54 2.13 -1.26 -4.89 120.64 119.44 3krv n GLU 176 Ca 0.10 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.31 3krv n GLU 176 Cb 0.46 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.36 3krv n GLU 176 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3krv n GLY 177 N 1.80 -0.21 3.78 8.31 0.00 -0.86 -5.02 105.19 112.99 3krv n GLY 177 Ca 0.14 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 3krv n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3krv s ARG 178 N -2.00 4.33 0.14 1.61 0.52 -1.26 -0.90 118.95 121.39 3krv s ARG 178 Ca 0.00 0.83 0.01 0.00 -0.52 0.00 0.00 55.73 56.06 3krv s ARG 178 Cb 0.00 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 3krv s ARG 178 CO 0.00 0.47 -0.02 0.71 0.02 0.00 0.00 175.30 176.48 3krv s TYR 179 N -0.59 1.04 -0.27 -0.53 2.02 -0.61 -4.84 117.35 113.57 3krv s TYR 179 Ca 0.32 -1.00 -0.10 0.00 -0.37 0.00 0.00 57.07 55.91 3krv s TYR 179 Cb -0.20 -0.60 -0.05 0.00 -0.40 0.00 0.00 41.96 40.72 3krv s TYR 179 CO 0.20 -0.22 0.17 0.12 -1.57 0.00 0.00 175.55 174.24 3krv s PHE 180 N -3.69 3.20 -0.11 2.71 5.36 0.03 -0.58 117.98 124.90 3krv s PHE 180 Ca 0.19 0.03 -0.09 0.00 -0.96 0.00 0.00 56.93 56.11 3krv s PHE 180 Cb 0.06 -2.35 -0.04 0.00 -0.34 0.00 0.00 43.02 40.34 3krv s PHE 180 CO 0.00 -0.19 0.18 1.41 -1.46 0.00 0.00 175.22 175.16 3krv s MET 181 N 1.72 3.61 -0.25 10.12 -2.45 -0.17 -0.11 119.30 131.77 3krv s MET 181 Ca 0.07 -0.06 0.03 0.00 -1.25 0.00 0.00 55.69 54.48 3krv s MET 181 Cb -0.16 -3.23 0.06 0.00 1.25 0.00 0.00 34.83 32.76 3krv s MET 181 CO 0.10 0.70 -0.10 0.08 1.05 0.00 0.00 175.02 176.84 3krv s VAL 182 N -0.84 2.05 -0.41 10.11 1.01 0.46 -1.80 120.40 130.98 3krv s VAL 182 Ca 0.16 -1.55 -0.11 0.00 0.00 0.00 0.00 61.98 60.47 3krv s VAL 182 Cb -0.13 -2.19 0.06 0.00 0.00 0.00 0.00 36.38 34.13 3krv s VAL 182 CO 0.05 -0.03 0.26 0.00 0.00 0.00 0.00 175.10 175.38 3krv s ALA 183 N 1.16 3.33 -0.49 5.51 0.00 -0.40 -0.85 121.76 130.02 3krv s ALA 183 Ca -0.08 -2.00 -0.02 0.00 0.00 0.00 0.00 51.96 49.86 3krv s ALA 183 Cb -0.20 -2.71 0.13 0.00 0.00 0.00 0.00 23.12 20.35 3krv s ALA 183 CO -0.05 -1.58 0.29 0.00 0.00 0.00 0.00 175.76 174.42 3krv s ALA 184 N 1.51 3.31 0.44 0.00 0.00 -0.15 -4.78 121.76 122.08 3krv s ALA 184 Ca 0.03 -2.83 -0.05 0.00 0.00 0.00 0.00 51.96 49.11 3krv s ALA 184 Cb -0.22 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 3krv s ALA 184 CO 0.04 -1.92 0.73 -1.25 0.00 0.00 0.00 175.76 173.36 3krv s PRO 185 N 0.63 3.56 0.47 0.00 0.04 -1.26 -1.46 135.00 136.99 3krv s PRO 185 Ca 0.12 0.12 -0.23 0.00 0.04 0.00 0.00 61.00 61.06 3krv s PRO 185 Cb -0.22 -2.44 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 3krv s PRO 185 CO -0.04 -0.10 1.03 1.28 0.04 0.00 0.00 177.00 179.21 3krv n LEU 186 N -1.98 3.09 -3.45 -3.56 4.77 -0.92 -4.82 117.00 110.14 3krv n LEU 186 Ca -0.00 0.98 -0.40 0.00 -0.03 0.00 0.00 56.01 56.56 3krv n LEU 186 Cb 0.55 -1.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.24 3krv n LEU 186 CO 0.51 -1.48 2.75 1.17 -1.33 0.00 0.00 177.39 179.02 3krv n LYS 187 N -0.18 4.17 -2.36 3.23 4.81 -1.26 -4.87 118.16 121.71 3krv n LYS 187 Ca 0.10 -2.99 -0.39 0.00 -0.87 0.00 0.00 58.31 54.16 3krv n LYS 187 Cb 0.42 -2.73 -0.03 0.00 0.02 0.00 0.00 35.03 32.71 3krv n LYS 187 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3krv s LEU 188 N -1.06 4.31 -0.16 3.14 1.43 -1.26 -5.04 118.68 120.04 3krv s LEU 188 Ca 0.59 2.32 -0.05 0.00 -1.03 0.00 0.00 54.13 55.96 3krv s LEU 188 Cb 0.18 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 3krv s LEU 188 CO -0.08 -0.48 -0.00 -0.69 0.23 0.00 0.00 176.35 175.33 3krv s VAL 189 N -1.35 4.23 -1.04 -1.59 1.01 -1.26 -3.64 120.40 116.77 3krv s VAL 189 Ca 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3krv s VAL 189 Cb -0.31 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3krv s VAL 189 CO 0.39 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.59 3krv n GLY 190 N 3.49 0.41 3.82 4.51 0.00 -1.26 -4.96 105.19 111.20 3krv n GLY 190 Ca -0.17 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 3krv n GLY 190 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3krv s THR 191 N -2.50 3.42 -1.06 2.61 -4.23 -1.26 -4.81 115.64 107.81 3krv s THR 191 Ca 0.00 -1.46 0.28 0.00 -1.18 0.00 0.00 61.69 59.33 3krv s THR 191 Cb 0.00 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 70.89 3krv s THR 191 CO 0.00 -0.18 1.77 -0.90 -0.54 0.00 0.00 174.62 174.77 3krv n ASP 192 N -1.31 0.19 -3.60 3.99 5.68 -1.26 -1.04 116.55 119.20 3krv n ASP 192 Ca -0.02 0.17 -0.01 0.00 -0.50 0.00 0.00 54.79 54.42 3krv n ASP 192 Cb 0.60 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 3krv n ASP 192 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3krv s ALA 193 N -2.95 -1.93 -0.14 2.12 0.00 -1.26 0.20 121.76 117.81 3krv s ALA 193 Ca 0.15 0.11 -0.10 0.00 0.00 0.00 0.00 51.96 52.12 3krv s ALA 193 Cb 0.19 0.65 0.04 0.00 0.00 0.00 0.00 23.12 24.00 3krv s ALA 193 CO 0.58 -1.07 0.35 0.00 0.00 0.00 0.00 175.76 175.62 3krv s ALA 194 N -2.49 -0.87 0.27 0.00 0.00 -0.64 -4.88 121.76 113.15 3krv s ALA 194 Ca 0.19 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 3krv s ALA 194 Cb 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 23.12 22.30 3krv s ALA 194 CO 0.01 -0.20 1.44 -0.35 0.00 0.00 0.00 175.76 176.66 3krv n PRO 195 N 3.54 2.21 -4.75 0.00 -0.04 -1.24 -1.50 135.00 133.23 3krv n PRO 195 Ca -0.18 0.79 -0.27 0.00 -0.04 0.00 0.00 63.50 63.79 3krv n PRO 195 Cb 0.56 -2.46 -0.14 0.00 -0.04 0.00 0.00 33.50 31.41 3krv n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3krv s ALA 196 N -0.19 1.90 -0.32 0.55 0.00 -0.41 -2.15 121.76 121.13 3krv s ALA 196 Ca 0.65 -1.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 3krv s ALA 196 Cb -0.60 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 3krv s ALA 196 CO 0.51 0.44 0.36 0.50 0.00 0.00 0.00 175.76 177.57 3krv s ARG 197 N -1.14 3.68 -0.10 0.00 6.06 -0.53 -4.57 118.95 122.34 3krv s ARG 197 Ca 0.09 -0.32 0.01 0.00 -2.50 0.00 0.00 55.73 53.01 3krv s ARG 197 Cb -0.09 -3.77 -0.02 0.00 0.06 0.00 0.00 34.95 31.13 3krv s ARG 197 CO 0.02 -0.46 -0.13 0.08 -2.50 0.00 0.00 175.30 172.30 3krv s VAL 198 N 2.02 3.07 0.05 7.11 1.01 -1.26 -0.98 120.40 131.43 3krv s VAL 198 Ca 0.12 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3krv s VAL 198 Cb -0.16 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3krv s VAL 198 CO 0.11 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.90 3krv s LEU 199 N -0.06 2.23 -0.11 3.92 1.43 -0.03 -1.57 118.68 124.48 3krv s LEU 199 Ca -0.02 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3krv s LEU 199 Cb -0.14 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.73 3krv s LEU 199 CO 0.04 -0.10 -0.15 -0.76 0.23 0.00 0.00 176.35 175.61 3krv s LEU 200 N -1.44 1.69 -0.02 1.79 1.02 0.30 -0.40 118.68 121.61 3krv s LEU 200 Ca -0.04 -0.43 0.02 0.00 0.02 0.00 0.00 54.13 53.70 3krv s LEU 200 Cb -0.09 -1.08 -0.03 0.00 0.02 0.00 0.00 46.19 45.01 3krv s LEU 200 CO 0.01 0.00 -0.04 -0.36 0.02 0.00 0.00 176.35 175.99 3krv s PHE 201 N 1.07 2.99 -0.47 0.29 0.08 0.85 -0.27 117.98 122.52 3krv s PHE 201 Ca -0.05 0.04 0.07 0.00 0.12 0.00 0.00 56.93 57.11 3krv s PHE 201 Cb -0.15 -1.67 0.47 0.00 -0.57 0.00 0.00 43.02 41.11 3krv s PHE 201 CO -0.03 0.40 1.34 -0.40 -0.10 0.00 0.00 175.22 176.44 3krv n ASP 202 N 1.71 3.76 -3.56 1.36 5.68 -0.93 -0.79 116.55 123.79 3krv n ASP 202 Ca -0.16 -2.68 -0.06 0.00 -0.50 0.00 0.00 54.79 51.39 3krv n ASP 202 Cb 0.53 -0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 39.85 3krv n ASP 202 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3krv s ARG 203 N -2.05 0.76 0.52 0.11 1.70 -1.26 -4.93 118.95 113.81 3krv s ARG 203 Ca 0.33 -0.32 -0.22 0.00 -0.47 0.00 0.00 55.73 55.06 3krv s ARG 203 Cb 0.26 0.33 -0.06 0.00 -0.57 0.00 0.00 34.95 34.92 3krv s ARG 203 CO 0.09 -0.34 1.26 -2.00 -1.08 0.00 0.00 175.30 173.23 3krv s GLU 204 N -2.99 3.34 0.00 3.89 2.12 -1.26 -4.62 118.70 119.18 3krv s GLU 204 Ca 0.07 1.99 0.26 0.00 0.36 0.00 0.00 54.97 57.65 3krv s GLU 204 Cb -0.01 -2.25 0.59 0.00 0.26 0.00 0.00 34.13 32.72 3krv s GLU 204 CO -0.06 -0.96 1.49 -0.35 -0.54 0.00 0.00 175.26 174.83