#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krz h LEU 4 N 0.00 0.34 -2.11 1.39 5.85 -1.94 -1.10 115.31 117.74 3krz h LEU 4 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3krz h LEU 4 Cb 0.00 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3krz h LEU 4 CO 0.00 0.15 0.00 1.41 -0.34 0.00 0.00 178.44 179.66 3krz n HIS 5 N -4.96 0.72 -2.93 1.25 8.25 -1.26 -1.36 115.22 114.93 3krz n HIS 5 Ca 0.13 -0.36 -0.40 0.00 -0.26 0.00 0.00 57.72 56.83 3krz n HIS 5 Cb 0.37 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.43 3krz n HIS 5 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3krz s MET 6 N -1.28 4.53 0.82 -0.41 -1.94 -0.42 -4.66 119.30 115.95 3krz s MET 6 Ca 0.39 1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 55.40 3krz s MET 6 Cb 0.21 -3.37 0.09 0.00 2.01 0.00 0.00 34.83 33.76 3krz s MET 6 CO 0.27 0.25 1.12 -2.14 -0.01 0.00 0.00 175.02 174.52 3krz s PRO 7 N 0.02 1.77 -0.13 2.03 0.02 -1.24 -4.13 135.00 133.35 3krz s PRO 7 Ca 0.41 1.38 -0.01 0.00 0.02 0.00 0.00 61.00 62.80 3krz s PRO 7 Cb -0.21 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.52 3krz s PRO 7 CO 0.24 -2.04 -0.06 -1.17 -0.33 0.00 0.00 177.00 173.64 3krz s LEU 8 N -6.09 1.31 -0.15 -5.54 2.96 0.23 -4.94 118.68 106.45 3krz s LEU 8 Ca 0.65 -0.43 -0.17 0.00 -0.22 0.00 0.00 54.13 53.96 3krz s LEU 8 Cb -0.20 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 3krz s LEU 8 CO 0.55 -0.15 0.42 -0.75 -1.32 0.00 0.00 176.35 175.10 3krz s LYS 9 N 1.69 4.28 -0.18 1.98 2.20 -1.26 -0.97 119.74 127.48 3krz s LYS 9 Ca 0.03 0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.95 3krz s LYS 9 Cb -0.14 -3.46 0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3krz s LYS 9 CO -0.08 0.12 -0.04 0.42 -0.36 0.00 0.00 175.35 175.41 3krz s ILE 10 N 0.79 1.12 0.00 5.43 1.01 0.12 -5.01 121.20 124.67 3krz s ILE 10 Ca 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3krz s ILE 10 Cb -0.14 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.98 3krz s ILE 10 CO 0.08 0.05 0.00 0.29 0.00 0.00 0.00 174.94 175.36 3krz n LYS 11 N 4.86 0.00 -0.16 2.79 5.02 -1.26 -1.39 118.16 128.02 3krz n LYS 11 Ca -0.12 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.27 3krz n LYS 11 Cb 0.47 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.75 3krz n LYS 11 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3krz n ASP 12 N 4.38 2.23 -4.60 4.39 9.92 -0.61 -4.88 116.55 127.39 3krz n ASP 12 Ca 0.00 -1.87 -0.34 0.00 -0.53 0.00 0.00 54.79 52.04 3krz n ASP 12 Cb 0.00 -0.21 -0.10 0.00 -0.64 0.00 0.00 41.12 40.17 3krz n ASP 12 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3krz s ILE 13 N -1.59 4.53 -0.22 0.53 -1.09 -0.48 -5.06 121.20 117.82 3krz s ILE 13 Ca 0.32 -0.13 -0.04 0.00 -2.23 0.00 0.00 60.65 58.57 3krz s ILE 13 Cb 0.17 -3.03 -0.01 0.00 -1.58 0.00 0.00 42.46 38.01 3krz s ILE 13 CO 0.24 0.47 -0.03 -0.89 -1.23 0.00 0.00 174.94 173.51 3krz s THR 14 N 0.35 3.52 -0.16 2.92 2.01 -1.26 -0.70 115.64 122.33 3krz s THR 14 Ca 0.01 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.40 3krz s THR 14 Cb -0.13 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 3krz s THR 14 CO 0.01 0.42 0.40 -0.63 -0.69 0.00 0.00 174.62 174.12 3krz s ILE 15 N 1.41 5.23 -0.41 1.82 1.01 -0.14 -4.93 121.20 125.19 3krz s ILE 15 Ca 0.05 0.76 0.26 0.00 0.00 0.00 0.00 60.65 61.72 3krz s ILE 15 Cb -0.14 -3.73 0.31 0.00 0.01 0.00 0.00 42.46 38.90 3krz s ILE 15 CO -0.02 0.32 1.77 0.07 0.00 0.00 0.00 174.94 177.08 3krz h LYS 16 N 6.92 0.00 0.00 2.79 2.10 -1.87 0.67 116.57 127.18 3krz h LYS 16 Ca -0.39 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.11 3krz h LYS 16 Cb 1.17 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.47 3krz h LYS 16 CO 0.75 0.00 0.06 0.27 -2.00 0.00 0.00 179.45 178.53 3krz n ASN 17 N -2.61 -1.70 -1.60 7.07 0.23 -1.26 -3.67 115.26 111.71 3krz n ASN 17 Ca 0.03 -2.61 0.09 0.00 -0.53 0.00 0.00 54.58 51.56 3krz n ASN 17 Cb 0.37 2.96 0.36 0.00 -2.08 0.00 0.00 39.78 41.39 3krz n ASN 17 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3krz n ARG 18 N -0.52 3.74 -3.74 -3.83 5.12 -0.46 -4.66 116.66 112.30 3krz n ARG 18 Ca -0.04 -2.84 -0.36 0.00 -1.93 0.00 0.00 57.85 52.68 3krz n ARG 18 Cb 0.55 -1.90 -0.10 0.00 -1.16 0.00 0.00 32.46 29.84 3krz n ARG 18 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3krz s ILE 19 N -1.86 5.11 -0.09 0.55 -1.09 -1.26 -0.97 121.20 121.58 3krz s ILE 19 Ca 0.51 0.09 0.01 0.00 -2.23 0.00 0.00 60.65 59.03 3krz s ILE 19 Cb 0.33 -3.37 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 3krz s ILE 19 CO 0.24 0.37 -0.11 -0.32 -1.23 0.00 0.00 174.94 173.89 3krz s MET 20 N 1.01 2.96 -0.33 2.79 -2.45 -0.39 -1.93 119.30 120.96 3krz s MET 20 Ca 0.06 -0.63 -0.29 0.00 -1.25 0.00 0.00 55.69 53.58 3krz s MET 20 Cb -0.14 -2.57 0.01 0.00 1.25 0.00 0.00 34.83 33.39 3krz s MET 20 CO 0.04 0.47 1.14 1.41 1.05 0.00 0.00 175.02 179.13 3krz s MET 21 N -0.31 3.99 0.44 4.11 1.75 0.08 -0.94 119.30 128.43 3krz s MET 21 Ca 0.03 1.07 -0.25 0.00 -1.25 0.00 0.00 55.69 55.29 3krz s MET 21 Cb -0.13 -3.79 -0.08 0.00 2.84 0.00 0.00 34.83 33.67 3krz s MET 21 CO 0.03 -1.01 1.35 0.45 -0.65 0.00 0.00 175.02 175.19 3krz s SER 22 N 2.04 6.04 0.23 1.11 0.15 -0.30 -1.88 113.70 121.09 3krz s SER 22 Ca 0.49 2.75 -0.31 0.00 0.70 0.00 0.00 55.95 59.57 3krz s SER 22 Cb -0.13 -2.64 -0.12 0.00 -1.71 0.00 0.00 66.02 61.42 3krz s SER 22 CO 0.19 -1.05 1.67 -2.16 1.20 0.00 0.00 173.24 173.10 3krz s PRO 23 N -2.41 4.13 -0.16 5.44 0.04 -1.23 -4.80 135.00 136.01 3krz s PRO 23 Ca 0.60 2.58 -0.05 0.00 0.04 0.00 0.00 61.00 64.18 3krz s PRO 23 Cb -0.40 -3.06 0.06 0.00 0.04 0.00 0.00 34.50 31.14 3krz s PRO 23 CO 0.51 -0.71 0.10 -1.64 0.04 0.00 0.00 177.00 175.31 3krz s MET 24 N 0.65 0.06 0.20 4.56 -1.94 -1.26 -4.85 119.30 116.72 3krz s MET 24 Ca 0.71 0.00 -0.32 0.00 -1.71 0.00 0.00 55.69 54.37 3krz s MET 24 Cb -0.49 -1.62 -0.14 0.00 2.01 0.00 0.00 34.83 34.59 3krz s MET 24 CO 0.37 -0.63 1.36 0.00 -0.01 0.00 0.00 175.02 176.11 3krz n MET 26 N 2.20 2.49 -4.19 0.00 2.81 -1.26 -5.01 117.12 114.16 3krz n MET 26 Ca 0.14 -0.43 -0.33 0.00 -1.81 0.00 0.00 57.70 55.28 3krz n MET 26 Cb 0.28 -1.08 -0.04 0.00 -0.71 0.00 0.00 33.22 31.66 3krz n MET 26 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3krz n TYR 27 N -0.58 -1.56 -0.32 2.03 4.01 -1.26 -4.84 117.16 114.64 3krz n TYR 27 Ca 0.04 0.73 0.00 0.00 -0.16 0.00 0.00 57.90 58.51 3krz n TYR 27 Cb 0.21 -3.05 0.00 0.00 -0.31 0.00 0.00 39.34 36.19 3krz n TYR 27 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3krz n SER 28 N -2.78 1.15 -4.90 7.72 7.64 -1.00 -4.87 113.62 116.58 3krz n SER 28 Ca -0.12 -1.47 -0.29 0.00 1.01 0.00 0.00 58.87 58.00 3krz n SER 28 Cb 0.59 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.85 3krz n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3krz s ALA 29 N -0.47 2.86 0.94 -0.43 0.00 -0.05 -4.80 121.76 119.81 3krz s ALA 29 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 3krz s ALA 29 Cb 0.00 -2.92 0.16 0.00 0.00 0.00 0.00 23.12 20.36 3krz s ALA 29 CO 0.00 -1.35 1.13 -1.54 0.00 0.00 0.00 175.76 174.00 3krz s SER 30 N -4.46 3.21 0.31 0.00 1.04 -1.21 -4.45 113.70 108.13 3krz s SER 30 Ca 0.60 0.99 0.22 0.00 0.48 0.00 0.00 55.95 58.23 3krz s SER 30 Cb -0.11 -1.57 1.13 0.00 0.10 0.00 0.00 66.02 65.57 3krz s SER 30 CO 0.49 -2.74 1.68 0.35 0.98 0.00 0.00 173.24 174.00 3krz n THR 31 N -3.89 0.99 1.63 2.02 -2.24 -1.20 -1.05 114.28 110.53 3krz n THR 31 Ca 0.06 0.61 0.15 0.00 -2.27 0.00 0.00 64.05 62.60 3krz n THR 31 Cb 0.59 -1.60 0.65 0.00 -2.10 0.00 0.00 70.33 67.87 3krz n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3krz n ASP 32 N -2.26 0.96 -0.28 3.42 9.92 -1.26 -4.93 116.55 122.12 3krz n ASP 32 Ca -0.01 -1.25 -0.04 0.00 -0.53 0.00 0.00 54.79 52.97 3krz n ASP 32 Cb 0.08 -0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.55 3krz n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3krz n GLY 33 N 1.14 0.66 3.79 0.44 0.00 -0.21 -4.82 105.19 106.18 3krz n GLY 33 Ca 0.20 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 3krz n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3krz s MET 34 N -1.86 4.43 0.74 1.61 1.00 -1.26 -1.52 119.30 122.44 3krz s MET 34 Ca 0.00 0.99 -0.12 0.00 0.00 0.00 0.00 55.69 56.57 3krz s MET 34 Cb 0.00 -3.26 0.04 0.00 0.00 0.00 0.00 34.83 31.60 3krz s MET 34 CO 0.00 0.57 1.11 -1.25 0.00 0.00 0.00 175.02 175.45 3krz s PRO 35 N -1.04 2.56 0.00 2.03 0.04 -1.26 -3.31 135.00 134.02 3krz s PRO 35 Ca 0.33 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.81 3krz s PRO 35 Cb -0.22 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3krz s PRO 35 CO 0.23 -1.24 0.00 0.27 0.04 0.00 0.00 177.00 176.30 3krz n ASN 36 N -3.14 0.18 0.21 6.66 0.23 -1.26 -4.98 115.26 113.16 3krz n ASN 36 Ca 0.07 -0.91 0.10 0.00 -0.53 0.00 0.00 54.58 53.31 3krz n ASN 36 Cb 0.58 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.93 3krz n ASN 36 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3krz h ASP 37 N 0.00 0.00 0.11 0.53 3.32 -1.98 -1.99 116.42 116.41 3krz h ASP 37 Ca 0.00 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3krz h ASP 37 Cb 0.00 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3krz h ASP 37 CO 0.00 0.00 -0.14 -0.25 -1.72 0.00 0.00 179.24 177.13 3krz h TRP 38 N 0.00 -0.36 -0.92 4.55 7.01 -1.96 -1.59 115.95 122.68 3krz h TRP 38 Ca 0.05 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.07 3krz h TRP 38 Cb 0.21 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.37 3krz h TRP 38 CO -0.00 -0.21 0.61 0.45 -2.79 0.00 0.00 178.44 176.50 3krz h HIS 39 N -0.29 1.16 -0.29 2.65 3.86 -1.75 -1.19 115.15 119.30 3krz h HIS 39 Ca 0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3krz h HIS 39 Cb 0.29 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3krz h HIS 39 CO -0.15 0.73 0.16 0.82 0.86 0.00 0.00 177.93 180.35 3krz h ILE 40 N 1.25 1.13 -0.46 2.45 2.04 -1.13 -1.75 117.51 121.04 3krz h ILE 40 Ca 0.34 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 3krz h ILE 40 Cb -0.14 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3krz h ILE 40 CO -0.07 0.13 0.00 0.58 0.00 0.00 0.00 178.15 178.79 3krz h VAL 41 N 0.35 1.26 -0.07 1.67 2.07 -1.22 -1.19 116.25 119.12 3krz h VAL 41 Ca 0.10 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.61 3krz h VAL 41 Cb 0.07 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3krz h VAL 41 CO -0.02 0.36 -0.17 -0.74 0.02 0.00 0.00 177.57 177.03 3krz h HIS 42 N 0.66 -0.44 -0.00 1.57 -0.00 -0.87 0.19 115.15 116.26 3krz h HIS 42 Ca 0.13 0.02 -0.22 0.00 -0.00 0.00 0.00 60.37 60.30 3krz h HIS 42 Cb 0.49 0.21 0.02 0.00 -0.00 0.00 0.00 27.41 28.13 3krz h HIS 42 CO 0.04 -0.24 -0.87 1.88 -0.00 0.00 0.00 177.93 178.74 3krz h TYR 43 N -0.24 0.88 -1.00 5.26 0.05 -1.35 -3.23 116.97 117.34 3krz h TYR 43 Ca 0.08 -0.48 0.11 0.00 0.05 0.00 0.00 58.73 58.49 3krz h TYR 43 Cb 0.35 -0.10 -0.08 0.00 1.01 0.00 0.00 36.73 37.91 3krz h TYR 43 CO -0.26 1.31 0.63 0.00 -1.05 0.00 0.00 178.16 178.80 3krz h ALA 44 N 0.37 1.51 -0.75 3.88 0.00 -1.03 -1.95 119.26 121.29 3krz h ALA 44 Ca -0.11 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.90 3krz h ALA 44 Cb 1.54 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 3krz h ALA 44 CO 0.17 0.27 0.40 1.15 0.00 0.00 0.00 179.25 181.24 3krz h THR 45 N 1.03 0.88 0.00 0.00 2.02 -0.97 0.08 112.91 115.95 3krz h THR 45 Ca 0.48 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.33 3krz h THR 45 Cb 0.41 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3krz h THR 45 CO -0.24 0.12 -0.46 0.03 0.37 0.00 0.00 175.52 175.35 3krz h ARG 46 N 0.68 0.00 -0.00 6.66 -0.00 -1.45 -0.25 114.38 120.01 3krz h ARG 46 Ca 0.36 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.84 3krz h ARG 46 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.31 3krz h ARG 46 CO -0.25 0.46 0.00 0.00 0.00 0.00 0.00 179.97 180.18 3krz h ALA 47 N 1.54 0.01 -0.97 0.04 0.00 -1.01 -1.89 119.26 116.98 3krz h ALA 47 Ca -0.00 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.88 3krz h ALA 47 Cb 1.21 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 3krz h ALA 47 CO 0.06 -0.35 0.60 0.82 0.00 0.00 0.00 179.25 180.38 3krz h ILE 48 N -0.28 0.90 0.00 0.00 2.04 -0.93 -1.46 117.51 117.78 3krz h ILE 48 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3krz h ILE 48 Cb 0.29 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3krz h ILE 48 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.93 3krz n GLY 49 N -1.34 -0.40 1.14 5.37 0.00 -0.11 -4.77 105.19 105.07 3krz n GLY 49 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3krz n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krz n GLY 50 N -0.18 0.74 3.74 -0.02 0.00 -0.55 -2.64 105.19 106.28 3krz n GLY 50 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3krz n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krz s VAL 51 N -2.15 2.09 0.04 1.61 1.01 -0.75 -4.90 120.40 117.35 3krz s VAL 51 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 3krz s VAL 51 Cb 0.00 -3.05 -0.15 0.00 0.00 0.00 0.00 36.38 33.18 3krz s VAL 51 CO 0.00 0.01 1.31 1.23 0.00 0.00 0.00 175.10 177.65 3krz h GLY 52 N 5.22 0.43 -7.04 4.51 0.00 -1.67 -3.41 103.07 101.11 3krz h GLY 52 Ca -0.46 -0.48 -0.49 0.00 0.00 0.00 0.00 47.33 45.90 3krz h GLY 52 CO 0.82 0.43 -0.78 -2.27 0.00 0.00 0.00 176.54 174.75 3krz s LEU 53 N -8.97 1.01 -0.32 3.11 0.20 -0.99 -1.30 118.68 111.42 3krz s LEU 53 Ca -0.14 -0.41 -0.15 0.00 0.69 0.00 0.00 54.13 54.12 3krz s LEU 53 Cb 0.05 -0.62 -0.02 0.00 -0.43 0.00 0.00 46.19 45.17 3krz s LEU 53 CO 0.77 -0.21 0.34 -0.63 -0.29 0.00 0.00 176.35 176.33 3krz s ILE 54 N 1.85 5.19 -0.41 6.68 1.01 0.04 -0.74 121.20 134.81 3krz s ILE 54 Ca 0.03 0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.67 3krz s ILE 54 Cb -0.14 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.58 3krz s ILE 54 CO -0.07 -0.01 0.40 -0.32 0.00 0.00 0.00 174.94 174.94 3krz s MET 55 N 1.99 3.11 0.38 2.79 1.75 -0.79 -0.40 119.30 128.13 3krz s MET 55 Ca 0.12 -0.79 -0.28 0.00 -1.25 0.00 0.00 55.69 53.49 3krz s MET 55 Cb -0.16 -3.96 -0.11 0.00 2.84 0.00 0.00 34.83 33.44 3krz s MET 55 CO 0.11 -0.80 1.43 0.94 -0.65 0.00 0.00 175.02 176.06 3krz n GLN 56 N 5.47 2.50 -0.87 4.11 7.27 -0.11 -3.52 117.38 132.23 3krz n GLN 56 Ca -0.08 0.88 -0.34 0.00 0.07 0.00 0.00 57.00 57.52 3krz n GLN 56 Cb 0.47 -2.58 0.09 0.00 2.41 0.00 0.00 30.24 30.64 3krz n GLN 56 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 3krz n GLU 57 N 0.41 -0.31 -1.68 3.69 0.28 -1.26 -2.60 120.64 119.18 3krz n GLU 57 Ca 0.02 -0.07 -0.59 0.00 -0.16 0.00 0.00 57.16 56.36 3krz n GLU 57 Cb 0.38 -1.49 -0.08 0.00 1.43 0.00 0.00 31.44 31.68 3krz n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3krz n ALA 58 N -3.30 -0.31 -4.02 -1.84 0.00 -1.26 -4.28 120.51 105.50 3krz n ALA 58 Ca 0.03 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 3krz n ALA 58 Cb 0.57 -2.18 -0.15 0.00 0.00 0.00 0.00 19.45 17.69 3krz n ALA 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3krz s THR 59 N 3.87 2.26 0.15 0.00 2.01 -0.17 -4.36 115.64 119.40 3krz s THR 59 Ca 1.02 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 3krz s THR 59 Cb -1.17 -2.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.14 3krz s THR 59 CO 0.68 0.28 1.28 0.00 -0.69 0.00 0.00 174.62 176.17 3krz s ALA 60 N 1.24 3.49 -0.84 7.40 0.00 -0.52 -1.50 121.76 131.03 3krz s ALA 60 Ca -0.01 1.02 0.26 0.00 0.00 0.00 0.00 51.96 53.24 3krz s ALA 60 Cb -0.16 -3.47 0.80 0.00 0.00 0.00 0.00 23.12 20.29 3krz s ALA 60 CO -0.09 -0.49 1.67 1.33 0.00 0.00 0.00 175.76 178.19 3krz n VAL 61 N 3.15 0.27 -3.88 0.00 0.24 -0.46 -1.01 118.33 116.63 3krz n VAL 61 Ca 0.07 -0.15 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 3krz n VAL 61 Cb 0.44 -0.33 -0.09 0.00 -1.47 0.00 0.00 33.84 32.38 3krz n VAL 61 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3krz s GLU 62 N -3.07 0.58 0.36 7.34 2.02 -1.26 -4.40 118.70 120.28 3krz s GLU 62 Ca 0.11 -0.59 0.06 0.00 0.02 0.00 0.00 54.97 54.56 3krz s GLU 62 Cb 0.15 0.24 0.70 0.00 0.10 0.00 0.00 34.13 35.32 3krz s GLU 62 CO 0.62 -0.15 1.93 0.66 0.02 0.00 0.00 175.26 178.34 3krz h SER 63 N 3.81 0.44 0.58 -0.19 4.64 -1.95 0.53 113.55 121.42 3krz h SER 63 Ca -0.32 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3krz h SER 63 Cb 1.19 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3krz h SER 63 CO 0.46 0.48 0.00 -2.11 -0.87 0.00 0.00 176.83 174.79 3krz n ARG 64 N -4.33 0.12 -0.14 4.77 1.85 -1.26 -2.71 116.66 114.96 3krz n ARG 64 Ca 0.02 0.12 0.11 0.00 -1.00 0.00 0.00 57.85 57.10 3krz n ARG 64 Cb 0.20 -1.50 0.28 0.00 -1.05 0.00 0.00 32.46 30.39 3krz n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3krz n GLY 65 N 0.57 1.07 3.77 2.89 0.00 0.17 -4.63 105.19 109.04 3krz n GLY 65 Ca 0.07 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3krz n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3krz s ARG 66 N -1.64 3.23 -0.13 1.61 0.52 -1.10 -0.37 118.95 121.08 3krz s ARG 66 Ca 0.35 1.54 -0.25 0.00 -0.52 0.00 0.00 55.73 56.85 3krz s ARG 66 Cb 0.20 -1.99 -0.23 0.00 0.52 0.00 0.00 34.95 33.45 3krz s ARG 66 CO 0.29 -0.93 0.70 0.82 0.02 0.00 0.00 175.30 176.19 3krz h ILE 67 N 0.90 1.57 -3.00 1.52 2.04 -1.91 -3.39 117.51 115.24 3krz h ILE 67 Ca -0.49 -2.14 -0.44 0.00 1.00 0.00 0.00 64.86 62.79 3krz h ILE 67 Cb 1.26 2.94 -0.14 0.00 -0.74 0.00 0.00 36.82 40.14 3krz h ILE 67 CO 0.56 0.52 -0.64 0.42 0.00 0.00 0.00 178.15 179.01 3krz s THR 68 N -2.22 1.22 -1.13 -0.27 -4.23 -1.26 -0.57 115.64 107.19 3krz s THR 68 Ca -0.17 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 58.34 3krz s THR 68 Cb -0.02 -2.53 0.18 0.00 1.34 0.00 0.00 72.50 71.46 3krz s THR 68 CO 0.61 -0.20 0.88 -0.90 -0.54 0.00 0.00 174.62 174.46 3krz n ASP 69 N -0.55 1.79 -0.63 3.99 5.68 -1.26 -2.45 116.55 123.12 3krz n ASP 69 Ca -0.04 -2.16 0.09 0.00 -0.50 0.00 0.00 54.79 52.18 3krz n ASP 69 Cb 0.65 -0.43 0.22 0.00 -1.14 0.00 0.00 41.12 40.41 3krz n ASP 69 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3krz n HIS 70 N 0.11 0.64 -3.01 2.11 8.25 -1.26 -3.27 115.22 118.79 3krz n HIS 70 Ca 0.06 -0.90 -0.31 0.00 -0.26 0.00 0.00 57.72 56.31 3krz n HIS 70 Cb 0.39 -0.25 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 3krz n HIS 70 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3krz s ASP 71 N -2.18 6.64 0.48 0.41 1.11 -1.03 -0.87 116.67 121.23 3krz s ASP 71 Ca 0.38 1.19 -0.22 0.00 0.18 0.00 0.00 52.55 54.08 3krz s ASP 71 Cb 0.31 -2.34 -0.07 0.00 1.07 0.00 0.00 42.92 41.89 3krz s ASP 71 CO 0.07 -0.30 1.16 -0.76 1.18 0.00 0.00 175.17 176.52 3krz s LEU 72 N -3.41 3.96 0.19 1.23 1.43 -1.26 -4.25 118.68 116.57 3krz s LEU 72 Ca 0.52 2.28 0.07 0.00 -1.03 0.00 0.00 54.13 55.98 3krz s LEU 72 Cb -0.10 -4.31 -0.05 0.00 0.03 0.00 0.00 46.19 41.76 3krz s LEU 72 CO 0.25 -0.98 -0.14 -0.83 0.23 0.00 0.00 176.35 174.88 3krz s GLY 73 N -1.44 1.33 -0.15 -3.19 0.00 -0.57 -1.43 107.32 101.86 3krz s GLY 73 Ca 0.65 -1.60 0.22 0.00 0.00 0.00 0.00 44.72 44.00 3krz s GLY 73 CO 0.33 -1.69 1.16 4.51 0.00 0.00 0.00 173.10 177.41 3krz n ILE 74 N -0.26 0.60 1.34 0.90 3.06 -0.18 -4.80 119.36 120.04 3krz n ILE 74 Ca -0.09 -1.85 0.13 0.00 -2.50 0.00 0.00 62.75 58.44 3krz n ILE 74 Cb 0.60 1.12 0.43 0.00 0.54 0.00 0.00 39.64 42.33 3krz n ILE 74 CO 0.00 0.00 0.00 -2.67 -2.50 0.00 0.00 176.55 171.38 3krz n TRP 75 N -0.22 0.00 -3.86 9.51 2.14 -1.23 -4.51 117.44 119.27 3krz n TRP 75 Ca 0.02 0.00 -0.09 0.00 2.07 0.00 0.00 57.50 59.50 3krz n TRP 75 Cb 0.93 -0.07 -0.08 0.00 -0.81 0.00 0.00 31.31 31.29 3krz n TRP 75 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 3krz s ASN 76 N -2.30 0.11 0.55 -0.67 2.20 -1.26 -4.95 114.94 108.62 3krz s ASN 76 Ca 0.30 -0.59 0.34 0.00 -0.94 0.00 0.00 52.86 51.97 3krz s ASN 76 Cb 0.20 0.32 1.43 0.00 -2.00 0.00 0.00 41.25 41.20 3krz s ASN 76 CO 0.44 -0.68 2.00 0.44 -2.94 0.00 0.00 177.10 176.36 3krz h ASP 77 N 2.93 0.00 0.73 3.54 3.32 -2.00 -2.64 116.42 122.30 3krz h ASP 77 Ca -0.34 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 3krz h ASP 77 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3krz h ASP 77 CO 0.55 0.00 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.55 3krz h GLU 78 N 0.00 0.00 0.00 3.56 3.07 -2.00 -2.98 114.58 116.23 3krz h GLU 78 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3krz h GLU 78 Cb 0.47 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 3krz h GLU 78 CO 0.00 0.19 -0.35 1.96 -1.40 0.00 0.00 179.01 179.41 3krz h GLN 79 N 0.00 0.00 -0.39 2.33 4.20 -1.82 -3.34 115.11 116.09 3krz h GLN 79 Ca -0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 3krz h GLN 79 Cb 0.61 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.34 3krz h GLN 79 CO 0.02 0.35 0.12 0.28 -0.67 0.00 0.00 178.83 178.94 3krz h VAL 80 N 0.00 0.86 0.00 -0.54 2.07 -1.66 -1.37 116.25 115.61 3krz h VAL 80 Ca -0.00 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3krz h VAL 80 Cb 1.10 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3krz h VAL 80 CO 0.05 0.05 -0.27 0.07 0.02 0.00 0.00 177.57 177.49 3krz h LYS 81 N 0.27 0.00 0.16 1.57 2.10 -1.76 0.52 116.57 119.42 3krz h LYS 81 Ca 0.18 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.60 3krz h LYS 81 Cb 0.18 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.53 3krz h LYS 81 CO -0.20 0.27 -1.04 0.93 -2.00 0.00 0.00 179.45 177.40 3krz h GLU 82 N 0.00 0.33 -0.16 0.07 4.39 -1.70 -3.28 114.58 114.23 3krz h GLU 82 Ca -0.00 -0.56 -0.05 0.00 0.34 0.00 0.00 59.36 59.09 3krz h GLU 82 Cb 0.54 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3krz h GLU 82 CO 0.03 1.27 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.96 3krz h LEU 83 N -0.27 0.23 -2.03 1.33 3.38 -1.05 -1.69 115.31 115.21 3krz h LEU 83 Ca -0.19 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 57.82 3krz h LEU 83 Cb 1.75 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 3krz h LEU 83 CO 0.15 0.38 0.23 0.50 0.09 0.00 0.00 178.44 179.80 3krz h LYS 84 N 0.24 0.00 -0.45 1.13 3.64 -0.95 -1.76 116.57 118.41 3krz h LYS 84 Ca 0.05 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3krz h LYS 84 Cb 0.36 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3krz h LYS 84 CO 0.02 0.00 -0.12 0.87 -2.27 0.00 0.00 179.45 177.95 3krz h LYS 85 N 0.00 0.83 -0.03 1.90 1.57 -1.38 -0.76 116.57 118.70 3krz h LYS 85 Ca 0.15 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3krz h LYS 85 Cb 0.62 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 3krz h LYS 85 CO -0.00 0.91 0.01 0.82 -0.57 0.00 0.00 179.45 180.61 3krz h ILE 86 N 0.75 1.20 -0.52 1.86 2.04 -1.43 -2.91 117.51 118.50 3krz h ILE 86 Ca 0.12 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.46 3krz h ILE 86 Cb 0.62 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 3krz h ILE 86 CO 0.04 0.16 0.21 0.58 0.00 0.00 0.00 178.15 179.14 3krz h VAL 87 N -0.18 0.87 -0.48 1.67 2.07 -1.20 -2.43 116.25 116.57 3krz h VAL 87 Ca 0.01 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3krz h VAL 87 Cb 0.25 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3krz h VAL 87 CO 0.00 0.08 -0.07 0.44 0.02 0.00 0.00 177.57 178.03 3krz h ASP 88 N 0.42 0.90 0.05 0.57 3.32 -1.13 -1.76 116.42 118.79 3krz h ASP 88 Ca 0.24 -0.34 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 3krz h ASP 88 Cb 0.23 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3krz h ASP 88 CO -0.22 1.03 -0.57 -0.29 -1.72 0.00 0.00 179.24 177.47 3krz h ILE 89 N 0.75 1.33 -0.22 0.35 2.10 -1.39 -1.10 117.51 119.32 3krz h ILE 89 Ca 0.13 -1.84 -0.09 0.00 1.08 0.00 0.00 64.86 64.14 3krz h ILE 89 Cb 0.61 1.81 -0.00 0.00 -1.09 0.00 0.00 36.82 38.15 3krz h ILE 89 CO 0.04 0.57 -0.21 0.00 -1.08 0.00 0.00 178.15 177.47 3krz h LYS 91 N 0.23 0.84 -0.04 0.00 1.57 -1.31 -1.79 116.57 116.07 3krz h LYS 91 Ca 0.04 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 3krz h LYS 91 Cb 0.76 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3krz h LYS 91 CO 0.05 0.81 -0.11 0.00 -0.57 0.00 0.00 179.45 179.63 3krz h ALA 92 N 1.26 1.74 -0.65 3.86 0.00 -1.15 -2.26 119.26 122.06 3krz h ALA 92 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3krz h ALA 92 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3krz h ALA 92 CO 0.01 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.55 3krz n ASN 93 N -4.37 3.51 0.00 0.00 4.13 -0.89 -4.95 115.26 112.68 3krz n ASN 93 Ca -0.02 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.24 3krz n ASN 93 Cb 0.20 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 3krz n ASN 93 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3krz n GLY 94 N 1.54 0.86 3.92 7.41 0.00 -0.85 -4.28 105.19 113.80 3krz n GLY 94 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 3krz n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krz s ALA 95 N -2.00 3.87 0.09 4.61 0.00 -0.73 -4.93 121.76 122.66 3krz s ALA 95 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 51.96 50.89 3krz s ALA 95 Cb 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 23.12 21.10 3krz s ALA 95 CO 0.00 0.55 0.78 0.08 0.00 0.00 0.00 175.76 177.17 3krz s VAL 96 N -1.76 4.60 -0.19 0.00 1.01 -0.42 -3.85 120.40 119.78 3krz s VAL 96 Ca 0.38 1.68 -0.05 0.00 0.00 0.00 0.00 61.98 63.99 3krz s VAL 96 Cb -0.11 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 3krz s VAL 96 CO 0.28 0.41 -0.01 -0.32 0.00 0.00 0.00 175.10 175.46 3krz s MET 97 N -0.41 3.60 0.27 2.72 1.75 -1.26 -0.78 119.30 125.20 3krz s MET 97 Ca 0.38 -0.53 0.12 0.00 -1.25 0.00 0.00 55.69 54.41 3krz s MET 97 Cb -0.21 -3.05 -0.05 0.00 2.84 0.00 0.00 34.83 34.36 3krz s MET 97 CO 0.24 0.03 -0.17 0.20 -0.65 0.00 0.00 175.02 174.67 3krz s GLY 98 N 0.94 1.85 -0.04 2.11 0.00 0.47 -0.46 107.32 112.19 3krz s GLY 98 Ca 0.01 -1.83 0.02 0.00 0.00 0.00 0.00 44.72 42.92 3krz s GLY 98 CO 0.02 -1.91 -0.09 -1.50 0.00 0.00 0.00 173.10 169.61 3krz s ILE 99 N -2.43 0.87 -0.48 0.90 2.07 -0.73 -0.93 121.20 120.46 3krz s ILE 99 Ca 0.30 -0.35 -0.21 0.00 -1.41 0.00 0.00 60.65 58.97 3krz s ILE 99 Cb -0.05 -0.80 0.04 0.00 0.13 0.00 0.00 42.46 41.77 3krz s ILE 99 CO 0.15 0.28 0.70 -1.58 -1.91 0.00 0.00 174.94 172.59 3krz s GLN 100 N 0.54 3.24 -0.02 3.50 0.74 -1.07 -0.96 119.66 125.62 3krz s GLN 100 Ca -0.09 -0.51 -0.30 0.00 0.05 0.00 0.00 55.36 54.51 3krz s GLN 100 Cb -0.13 -4.02 -0.03 0.00 1.10 0.00 0.00 33.01 29.94 3krz s GLN 100 CO 0.02 -1.17 1.07 -0.51 -0.55 0.00 0.00 175.29 174.15 3krz s LEU 101 N 2.98 4.32 0.08 3.68 1.43 0.77 -1.00 118.68 130.95 3krz s LEU 101 Ca 0.22 1.73 0.01 0.00 -1.03 0.00 0.00 54.13 55.06 3krz s LEU 101 Cb -0.15 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 3krz s LEU 101 CO 0.17 -0.40 -0.06 0.00 0.23 0.00 0.00 176.35 176.28 3krz s ALA 102 N 1.47 0.83 -0.20 4.21 0.00 -0.56 -1.37 121.76 126.14 3krz s ALA 102 Ca 0.53 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 3krz s ALA 102 Cb -0.23 0.15 0.10 0.00 0.00 0.00 0.00 23.12 23.14 3krz s ALA 102 CO 0.25 -0.21 0.35 -1.58 0.00 0.00 0.00 175.76 174.57 3krz s HIS 103 N -3.21 -0.68 0.09 0.00 2.46 -1.26 -1.36 115.29 111.34 3krz s HIS 103 Ca 0.07 1.08 0.34 0.00 0.47 0.00 0.00 55.06 57.02 3krz s HIS 103 Cb 0.03 0.09 1.39 0.00 -0.13 0.00 0.00 32.58 33.95 3krz s HIS 103 CO -0.04 -0.53 1.99 0.00 -2.47 0.00 0.00 174.74 173.68 3krz h ALA 104 N 8.21 1.00 -0.63 1.58 0.00 -0.96 -0.41 119.26 128.06 3krz h ALA 104 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3krz h ALA 104 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3krz h ALA 104 CO 0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3krz n GLY 105 N -0.01 2.97 0.00 0.00 0.00 -1.26 -1.68 105.19 105.20 3krz n GLY 105 Ca 0.01 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.94 3krz n GLY 105 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3krz n ARG 106 N 14.00 0.05 -0.11 1.61 1.85 -0.58 -1.95 116.66 131.53 3krz n ARG 106 Ca 0.00 0.28 0.11 0.00 -1.00 0.00 0.00 57.85 57.24 3krz n ARG 106 Cb 0.00 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.20 3krz n ARG 106 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3krz n LYS 107 N -1.43 2.12 -1.68 2.89 5.02 -0.67 -4.64 118.16 119.76 3krz n LYS 107 Ca 0.03 -1.68 -0.48 0.00 -2.02 0.00 0.00 58.31 54.16 3krz n LYS 107 Cb 0.11 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 3krz n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3krz n ASN 109 N 6.29 4.43 -4.55 0.00 5.15 0.27 -4.79 115.26 122.06 3krz n ASN 109 Ca 0.22 -3.24 -0.41 0.00 -0.60 0.00 0.00 54.58 50.56 3krz n ASN 109 Cb 0.29 -0.69 -0.09 0.00 -0.53 0.00 0.00 39.78 38.76 3krz n ASN 109 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3krz s ILE 110 N -2.99 5.14 0.32 -1.44 1.01 -1.25 -4.91 121.20 117.08 3krz s ILE 110 Ca 0.51 0.15 0.01 0.00 0.00 0.00 0.00 60.65 61.33 3krz s ILE 110 Cb 0.42 -3.83 0.28 0.00 0.01 0.00 0.00 42.46 39.33 3krz s ILE 110 CO 0.11 -0.09 1.94 0.77 0.00 0.00 0.00 174.94 177.67 3krz h SER 111 N 8.43 0.85 0.05 3.58 4.64 -1.97 -2.37 113.55 126.77 3krz h SER 111 Ca -0.30 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3krz h SER 111 Cb 1.14 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3krz h SER 111 CO 0.70 0.57 -0.05 0.00 -0.87 0.00 0.00 176.83 177.18 3krz n TYR 112 N -4.47 0.00 -2.43 4.77 0.18 -1.26 -4.95 117.16 109.01 3krz n TYR 112 Ca 0.12 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.64 3krz n TYR 112 Cb 0.16 -0.03 0.03 0.00 -0.38 0.00 0.00 39.34 39.13 3krz n TYR 112 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3krz s GLU 113 N -2.11 2.82 -1.12 -3.48 0.41 -0.89 -5.00 118.70 109.33 3krz s GLU 113 Ca 0.36 -0.11 -0.17 0.00 -0.41 0.00 0.00 54.97 54.64 3krz s GLU 113 Cb 0.21 -2.29 0.12 0.00 -1.78 0.00 0.00 34.13 30.39 3krz s GLU 113 CO 0.38 -0.73 1.41 0.34 -0.49 0.00 0.00 175.26 176.16 3krz s ASP 114 N -4.33 6.82 -0.06 -0.19 2.15 -1.26 -5.00 116.67 114.81 3krz s ASP 114 Ca 0.54 -2.41 -0.30 0.00 0.43 0.00 0.00 52.55 50.81 3krz s ASP 114 Cb -0.10 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 3krz s ASP 114 CO 0.44 -1.02 1.28 -0.69 -0.17 0.00 0.00 175.17 175.01 3krz s VAL 115 N 2.86 4.09 0.24 1.11 1.01 -1.26 -4.87 120.40 123.59 3krz s VAL 115 Ca 0.42 1.41 0.07 0.00 0.00 0.00 0.00 61.98 63.89 3krz s VAL 115 Cb -0.02 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3krz s VAL 115 CO -0.03 -0.03 -0.10 0.68 0.00 0.00 0.00 175.10 175.63 3krz s VAL 116 N 2.55 1.67 0.19 2.92 -7.23 -1.26 -1.20 120.40 118.04 3krz s VAL 116 Ca 0.58 -2.17 -0.23 0.00 -1.81 0.00 0.00 61.98 58.36 3krz s VAL 116 Cb -0.26 -2.25 0.07 0.00 0.56 0.00 0.00 36.38 34.50 3krz s VAL 116 CO 0.22 -0.44 1.01 -0.83 -0.31 0.00 0.00 175.10 174.75 3krz s GLY 117 N -3.38 0.04 0.32 2.32 0.00 -0.85 -1.53 107.32 104.24 3krz s GLY 117 Ca 0.26 -0.24 0.08 0.00 0.00 0.00 0.00 44.72 44.83 3krz s GLY 117 CO 0.09 1.68 1.76 -0.56 0.00 0.00 0.00 173.10 176.07 3krz h PRO 118 N 2.00 0.18 -3.52 2.90 0.13 -1.86 -1.33 132.00 130.50 3krz h PRO 118 Ca -0.27 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 64.64 3krz h PRO 118 Cb 1.22 -0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 3krz h PRO 118 CO 0.34 0.53 -0.48 -1.12 -0.23 0.00 0.00 178.00 177.03 3krz s SER 119 N -6.89 0.03 -1.38 1.44 0.01 -1.26 -4.43 113.70 101.22 3krz s SER 119 Ca -0.04 -0.23 -0.15 0.00 1.31 0.00 0.00 55.95 56.84 3krz s SER 119 Cb 0.14 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.61 3krz s SER 119 CO 0.76 -0.39 2.11 -0.81 0.41 0.00 0.00 173.24 175.32 3krz n PRO 120 N 1.38 2.83 -3.86 12.44 -0.04 -1.26 -4.78 135.00 141.71 3krz n PRO 120 Ca -0.22 -2.70 -0.15 0.00 -0.04 0.00 0.00 63.50 60.39 3krz n PRO 120 Cb 0.56 -3.32 -0.16 0.00 -0.04 0.00 0.00 33.50 30.54 3krz n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3krz s ILE 121 N 3.63 0.06 0.55 0.52 1.01 -1.26 -4.87 121.20 120.83 3krz s ILE 121 Ca 0.49 0.12 -0.19 0.00 0.00 0.00 0.00 60.65 61.07 3krz s ILE 121 Cb 0.12 -0.15 -0.06 0.00 0.01 0.00 0.00 42.46 42.38 3krz s ILE 121 CO -0.04 0.10 1.11 -0.54 0.00 0.00 0.00 174.94 175.56 3krz s LYS 122 N 0.83 3.38 0.11 2.79 1.02 -1.26 -4.52 119.74 122.08 3krz s LYS 122 Ca -0.08 1.52 0.27 0.00 0.02 0.00 0.00 55.97 57.70 3krz s LYS 122 Cb -0.11 -2.02 1.00 0.00 -0.52 0.00 0.00 37.83 36.19 3krz s LYS 122 CO -0.02 -0.81 1.83 0.00 -0.92 0.00 0.00 175.35 175.42 3krz n ALA 123 N -1.39 2.23 0.00 5.17 0.00 -1.26 -4.97 120.51 120.29 3krz n ALA 123 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3krz n ALA 123 Cb 0.51 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3krz n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3krz n GLY 124 N 1.25 0.55 0.35 0.00 0.00 -1.26 -4.54 105.19 101.54 3krz n GLY 124 Ca 0.06 -1.09 0.05 0.00 0.00 0.00 0.00 46.02 45.03 3krz n GLY 124 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3krz h ASP 125 N 0.00 0.89 0.34 1.61 3.45 -2.02 -2.20 116.42 118.48 3krz h ASP 125 Ca 0.00 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3krz h ASP 125 Cb 0.00 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 3krz h ASP 125 CO 0.00 0.51 -0.04 0.54 -1.57 0.00 0.00 179.24 178.68 3krz n ARG 126 N -4.62 0.71 -2.97 3.56 5.12 -1.26 -4.88 116.66 112.31 3krz n ARG 126 Ca 0.16 -0.13 -0.27 0.00 -1.93 0.00 0.00 57.85 55.68 3krz n ARG 126 Cb 0.28 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.07 3krz n ARG 126 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3krz s TYR 127 N -2.38 3.52 0.31 -1.55 2.02 -0.83 -5.08 117.35 113.37 3krz s TYR 127 Ca 0.33 0.68 -0.25 0.00 -0.37 0.00 0.00 57.07 57.46 3krz s TYR 127 Cb 0.21 -2.17 -0.10 0.00 -0.40 0.00 0.00 41.96 39.50 3krz s TYR 127 CO 0.44 -0.08 0.91 0.21 -1.57 0.00 0.00 175.55 175.46 3krz s LYS 128 N -4.36 4.51 0.05 -0.62 2.20 -1.26 -4.91 119.74 115.35 3krz s LYS 128 Ca 0.45 1.24 -0.30 0.00 -0.36 0.00 0.00 55.97 57.00 3krz s LYS 128 Cb -0.10 -2.78 -0.08 0.00 -1.51 0.00 0.00 37.83 33.36 3krz s LYS 128 CO 0.39 0.28 1.68 -1.17 -0.36 0.00 0.00 175.35 176.17 3krz s LEU 129 N -2.10 4.37 0.38 5.43 2.96 -1.26 -4.72 118.68 123.74 3krz s LEU 129 Ca 0.50 2.47 -0.24 0.00 -0.22 0.00 0.00 54.13 56.64 3krz s LEU 129 Cb -0.18 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.86 3krz s LEU 129 CO 0.23 -0.91 1.02 -2.16 -1.32 0.00 0.00 176.35 173.21 3krz s PRO 130 N 2.97 4.26 0.08 0.98 0.04 -1.26 -4.91 135.00 137.16 3krz s PRO 130 Ca 0.75 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 3krz s PRO 130 Cb -0.39 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 3krz s PRO 130 CO 0.33 -0.04 1.07 0.50 0.04 0.00 0.00 177.00 178.90 3krz s ARG 131 N -2.45 4.56 -0.19 4.56 3.52 -0.34 -4.40 118.95 124.21 3krz s ARG 131 Ca 0.56 1.60 -0.29 0.00 -0.13 0.00 0.00 55.73 57.47 3krz s ARG 131 Cb -0.20 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 3krz s ARG 131 CO 0.26 -0.02 1.35 -2.00 -0.81 0.00 0.00 175.30 174.08 3krz s GLU 132 N 0.47 4.11 0.21 5.12 2.12 -1.26 -2.01 118.70 127.46 3krz s GLU 132 Ca 0.52 1.63 -0.31 0.00 0.36 0.00 0.00 54.97 57.17 3krz s GLU 132 Cb -0.26 -3.84 -0.10 0.00 0.26 0.00 0.00 34.13 30.18 3krz s GLU 132 CO 0.30 -0.88 1.54 -0.51 -0.54 0.00 0.00 175.26 175.18 3krz s LEU 133 N 3.93 4.37 0.69 2.70 1.43 -0.50 -4.97 118.68 126.34 3krz s LEU 133 Ca 0.59 2.70 -0.11 0.00 -1.03 0.00 0.00 54.13 56.28 3krz s LEU 133 Cb -0.22 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.40 3krz s LEU 133 CO 0.20 -0.81 1.06 -0.94 0.23 0.00 0.00 176.35 176.09 3krz s SER 134 N 0.82 5.43 0.24 2.29 1.04 -1.26 -4.89 113.70 117.37 3krz s SER 134 Ca 0.66 1.56 -0.05 0.00 0.48 0.00 0.00 55.95 58.60 3krz s SER 134 Cb -0.44 -2.45 0.35 0.00 0.10 0.00 0.00 66.02 63.58 3krz s SER 134 CO 0.37 -1.40 1.85 0.58 0.98 0.00 0.00 173.24 175.62 3krz h VAL 135 N -0.69 1.02 -0.77 5.02 2.07 -1.99 0.29 116.25 121.20 3krz h VAL 135 Ca -0.44 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 3krz h VAL 135 Cb 1.21 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3krz h VAL 135 CO 0.58 0.18 0.39 -0.33 0.02 0.00 0.00 177.57 178.40 3krz h GLU 136 N 0.96 1.09 -0.45 1.57 5.08 -1.99 -1.06 114.58 119.77 3krz h GLU 136 Ca 0.38 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3krz h GLU 136 Cb 0.20 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3krz h GLU 136 CO -0.18 0.83 -0.15 0.93 -1.00 0.00 0.00 179.01 179.44 3krz h GLU 137 N 1.08 0.86 -0.28 2.33 5.08 -1.72 -1.90 114.58 120.03 3krz h GLU 137 Ca 0.27 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3krz h GLU 137 Cb 0.09 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3krz h GLU 137 CO -0.04 0.96 0.13 0.82 -1.00 0.00 0.00 179.01 179.88 3krz h ILE 138 N 0.76 0.98 -0.79 3.13 2.04 -0.63 -1.09 117.51 121.91 3krz h ILE 138 Ca 0.12 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3krz h ILE 138 Cb 0.68 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3krz h ILE 138 CO 0.05 0.05 0.52 0.11 0.00 0.00 0.00 178.15 178.88 3krz h LYS 139 N 0.27 0.89 -0.61 2.37 6.56 -0.97 -1.08 116.57 124.00 3krz h LYS 139 Ca 0.12 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 3krz h LYS 139 Cb 0.05 -0.20 -0.03 0.00 -0.57 0.00 0.00 32.23 31.48 3krz h LYS 139 CO -0.09 0.59 0.20 0.77 -2.06 0.00 0.00 179.45 178.86 3krz h SER 140 N 0.92 0.85 -0.28 0.86 0.02 -0.70 -1.35 113.55 113.87 3krz h SER 140 Ca 0.33 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 3krz h SER 140 Cb 0.14 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3krz h SER 140 CO -0.11 0.80 -0.46 0.40 -1.14 0.00 0.00 176.83 176.32 3krz h ILE 141 N 0.90 1.28 -0.36 3.27 2.04 -0.11 -1.34 117.51 123.19 3krz h ILE 141 Ca 0.20 -1.65 0.02 0.00 1.00 0.00 0.00 64.86 64.44 3krz h ILE 141 Cb 0.24 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3krz h ILE 141 CO -0.01 0.54 0.19 0.58 0.00 0.00 0.00 178.15 179.45 3krz h VAL 142 N 0.68 1.01 -0.82 1.67 2.07 -1.13 -1.38 116.25 118.34 3krz h VAL 142 Ca 0.04 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3krz h VAL 142 Cb 1.05 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 3krz h VAL 142 CO 0.11 0.07 0.49 0.50 0.02 0.00 0.00 177.57 178.76 3krz h LYS 143 N 0.40 0.84 -0.83 1.57 3.64 -1.12 -2.17 116.57 118.90 3krz h LYS 143 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3krz h LYS 143 Cb 0.03 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 3krz h LYS 143 CO -0.08 0.55 0.53 0.00 -2.27 0.00 0.00 179.45 178.17 3krz h ALA 144 N 1.42 1.37 -0.62 5.00 0.00 -0.56 -0.07 119.26 125.81 3krz h ALA 144 Ca 0.37 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3krz h ALA 144 Cb 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3krz h ALA 144 CO -0.20 0.57 0.14 0.74 0.00 0.00 0.00 179.25 180.49 3krz h PHE 145 N 1.13 1.05 -0.45 0.00 0.04 -0.77 -0.75 116.94 117.19 3krz h PHE 145 Ca 0.30 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 3krz h PHE 145 Cb -0.09 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.74 3krz h PHE 145 CO 0.00 0.89 0.21 0.78 -0.60 0.00 0.00 178.31 179.59 3krz h GLY 146 N 0.91 0.70 1.03 -1.45 0.00 -0.76 -1.15 103.07 102.34 3krz h GLY 146 Ca 0.19 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3krz h GLY 146 CO 0.00 0.33 0.26 0.83 0.00 0.00 0.00 176.54 177.97 3krz h GLU 147 N 0.58 1.05 -0.71 4.80 5.08 -0.91 -1.72 114.58 122.76 3krz h GLU 147 Ca 0.15 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3krz h GLU 147 Cb 0.12 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3krz h GLU 147 CO -0.02 0.88 0.47 0.00 -1.00 0.00 0.00 179.01 179.34 3krz h ALA 148 N 1.12 0.91 -0.72 3.43 0.00 -0.81 -1.42 119.26 121.77 3krz h ALA 148 Ca 0.23 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3krz h ALA 148 Cb 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3krz h ALA 148 CO -0.02 0.30 0.24 0.00 0.00 0.00 0.00 179.25 179.78 3krz h ALA 149 N 1.27 1.07 -0.61 0.00 0.00 -0.86 0.75 119.26 120.89 3krz h ALA 149 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3krz h ALA 149 Cb -0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3krz h ALA 149 CO -0.07 0.64 0.34 -0.22 0.00 0.00 0.00 179.25 179.93 3krz h LYS 150 N 1.05 0.84 -0.71 0.00 3.64 -0.98 -1.20 116.57 119.22 3krz h LYS 150 Ca 0.23 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3krz h LYS 150 Cb 0.27 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3krz h LYS 150 CO -0.01 0.64 0.19 0.00 -2.27 0.00 0.00 179.45 177.99 3krz h ARG 151 N 0.82 1.12 -0.80 1.90 3.08 -0.88 -2.13 114.38 117.49 3krz h ARG 151 Ca 0.21 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3krz h ARG 151 Cb 0.04 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3krz h ARG 151 CO -0.03 0.98 0.42 0.00 -1.07 0.00 0.00 179.97 180.26 3krz h ALA 152 N 1.09 1.03 -0.78 0.04 0.00 -0.55 -0.67 119.26 119.42 3krz h ALA 152 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3krz h ALA 152 Cb 0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3krz h ALA 152 CO -0.00 0.56 0.32 -0.97 0.00 0.00 0.00 179.25 179.16 3krz h ASN 153 N 1.12 1.07 -0.13 0.00 -1.24 -0.98 -2.02 115.58 113.40 3krz h ASN 153 Ca 0.28 -0.17 -0.09 0.00 0.71 0.00 0.00 56.30 57.03 3krz h ASN 153 Cb 0.06 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 3krz h ASN 153 CO -0.04 0.95 -0.20 0.25 -1.29 0.00 0.00 177.43 177.10 3krz h LEU 154 N 1.13 0.54 -1.28 0.34 5.85 -0.94 -2.14 115.31 118.82 3krz h LEU 154 Ca 0.26 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3krz h LEU 154 Cb 0.21 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3krz h LEU 154 CO -0.02 0.75 0.00 0.00 -0.34 0.00 0.00 178.44 178.82 3krz h ALA 155 N 1.30 1.00 0.00 1.25 0.00 -0.86 -3.47 119.26 118.47 3krz h ALA 155 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3krz h ALA 155 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3krz h ALA 155 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3krz n GLY 156 N 0.15 1.01 3.72 0.00 0.00 -0.80 -4.53 105.19 104.74 3krz n GLY 156 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3krz n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3krz n TYR 157 N -1.95 2.12 0.01 1.61 4.01 -0.96 -4.94 117.16 117.07 3krz n TYR 157 Ca 0.00 0.45 -0.06 0.00 -0.16 0.00 0.00 57.90 58.12 3krz n TYR 157 Cb 0.00 -2.35 -0.12 0.00 -0.31 0.00 0.00 39.34 36.57 3krz n TYR 157 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3krz h ASP 158 N 1.51 0.00 -3.66 7.72 3.32 -1.11 -3.44 116.42 120.76 3krz h ASP 158 Ca -0.50 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.30 3krz h ASP 158 Cb 1.31 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.56 3krz h ASP 158 CO 0.57 0.91 -0.72 -0.69 -1.72 0.00 0.00 179.24 177.59 3krz s VAL 159 N -2.69 -0.02 -0.07 -1.35 1.01 -1.06 -4.06 120.40 112.16 3krz s VAL 159 Ca -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 3krz s VAL 159 Cb 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.40 3krz s VAL 159 CO 0.82 0.03 -0.03 0.68 0.00 0.00 0.00 175.10 176.59 3krz s VAL 160 N 0.35 4.00 -0.11 2.92 -7.23 -1.16 -1.77 120.40 117.39 3krz s VAL 160 Ca -0.03 -0.40 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 3krz s VAL 160 Cb -0.04 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.24 3krz s VAL 160 CO -0.01 0.58 -0.21 -0.70 -0.31 0.00 0.00 175.10 174.45 3krz s GLU 161 N -0.92 2.85 -0.17 4.82 2.12 -0.14 -0.14 118.70 127.12 3krz s GLU 161 Ca 0.13 -0.80 -0.24 0.00 0.36 0.00 0.00 54.97 54.42 3krz s GLU 161 Cb -0.11 -2.25 -0.02 0.00 0.26 0.00 0.00 34.13 32.01 3krz s GLU 161 CO 0.03 0.07 0.77 0.42 -0.54 0.00 0.00 175.26 176.00 3krz s ILE 162 N 0.62 4.93 -0.86 -3.70 1.01 -0.06 -0.16 121.20 122.98 3krz s ILE 162 Ca -0.13 1.50 -0.22 0.00 0.00 0.00 0.00 60.65 61.80 3krz s ILE 162 Cb -0.17 -4.08 0.07 0.00 0.01 0.00 0.00 42.46 38.30 3krz s ILE 162 CO 0.03 0.06 1.21 -2.28 0.00 0.00 0.00 174.94 173.96 3krz s HIS 163 N 2.04 2.68 -0.25 3.97 2.46 -0.47 -1.30 115.29 124.42 3krz s HIS 163 Ca 0.35 -0.77 0.13 0.00 0.47 0.00 0.00 55.06 55.25 3krz s HIS 163 Cb -0.16 -4.47 0.68 0.00 -0.13 0.00 0.00 32.58 28.49 3krz s HIS 163 CO 0.12 -1.77 1.63 0.00 -2.47 0.00 0.00 174.74 172.25 3krz n ALA 164 N 8.05 3.80 -4.14 1.58 0.00 0.15 -4.56 120.51 125.40 3krz n ALA 164 Ca 0.16 -2.28 -0.14 0.00 0.00 0.00 0.00 53.44 51.18 3krz n ALA 164 Cb 0.49 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 3krz n ALA 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krz n ALA 165 N -0.14 0.23 -2.10 0.00 0.00 -1.08 -3.59 120.51 113.83 3krz n ALA 165 Ca 0.30 -0.99 -0.20 0.00 0.00 0.00 0.00 53.44 52.54 3krz n ALA 165 Cb 1.13 0.60 -0.04 0.00 0.00 0.00 0.00 19.45 21.15 3krz n ALA 165 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3krz n HIS 166 N -0.50 -0.66 -0.88 0.00 8.25 -1.22 -2.31 115.22 117.90 3krz n HIS 166 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3krz n HIS 166 Cb 0.29 -3.70 0.00 0.00 1.12 0.00 0.00 29.99 27.69 3krz n HIS 166 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3krz n GLY 167 N -0.77 0.58 0.00 -1.41 0.00 -1.25 -4.49 105.19 97.85 3krz n GLY 167 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3krz n GLY 167 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3krz n TYR 168 N -2.84 -2.20 0.05 1.61 4.01 -0.98 -4.58 117.16 112.24 3krz n TYR 168 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 3krz n TYR 168 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 3krz n TYR 168 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3krz h LEU 169 N 0.00 -0.39 -0.39 7.72 5.85 -1.14 -0.82 115.31 126.14 3krz h LEU 169 Ca 0.00 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3krz h LEU 169 Cb 0.00 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3krz h LEU 169 CO 0.00 -0.19 0.10 0.40 -0.34 0.00 0.00 178.44 178.42 3krz h ILE 170 N -0.22 1.22 -0.84 4.05 2.04 -1.80 -2.17 117.51 119.79 3krz h ILE 170 Ca 0.05 -0.76 0.12 0.00 1.00 0.00 0.00 64.86 65.27 3krz h ILE 170 Cb 0.28 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 3krz h ILE 170 CO -0.14 0.26 0.46 -0.74 0.00 0.00 0.00 178.15 178.00 3krz h HIS 171 N 0.49 0.83 -0.91 1.37 2.76 -1.55 -1.61 115.15 116.53 3krz h HIS 171 Ca 0.12 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 3krz h HIS 171 Cb 0.30 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 28.97 3krz h HIS 171 CO 0.02 0.27 0.60 0.93 -1.30 0.00 0.00 177.93 178.45 3krz h GLU 172 N 0.72 1.14 -0.35 5.26 5.08 -0.51 -1.17 114.58 124.74 3krz h GLU 172 Ca 0.43 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.61 3krz h GLU 172 Cb 0.51 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3krz h GLU 172 CO -0.30 0.75 -0.25 0.74 -1.00 0.00 0.00 179.01 178.95 3krz h PHE 173 N 1.17 0.79 -0.20 4.33 0.04 -1.05 -3.17 116.94 118.86 3krz h PHE 173 Ca 0.35 -0.18 -0.13 0.00 2.80 0.00 0.00 57.97 60.81 3krz h PHE 173 Cb -0.04 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3krz h PHE 173 CO -0.00 0.88 -0.42 -0.07 -0.60 0.00 0.00 178.31 178.10 3krz h LEU 174 N 0.61 0.50 -9.22 1.54 3.38 -0.35 -3.43 115.31 108.33 3krz h LEU 174 Ca 0.08 -0.22 -0.59 0.00 0.09 0.00 0.00 57.88 57.24 3krz h LEU 174 Cb 0.74 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 3krz h LEU 174 CO 0.06 0.86 -0.07 -0.55 0.09 0.00 0.00 178.44 178.83 3krz s SER 175 N -6.86 6.63 0.60 -0.43 0.15 -0.56 -4.91 113.70 108.32 3krz s SER 175 Ca -0.07 0.75 0.29 0.00 0.70 0.00 0.00 55.95 57.63 3krz s SER 175 Cb 0.13 -2.30 1.58 0.00 -1.71 0.00 0.00 66.02 63.72 3krz s SER 175 CO 0.81 -0.11 1.98 -0.65 1.20 0.00 0.00 173.24 176.47 3krz h PRO 176 N 7.13 0.00 0.00 5.44 0.11 -1.82 -0.55 132.00 142.31 3krz h PRO 176 Ca -0.37 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 3krz h PRO 176 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3krz h PRO 176 CO 0.75 0.00 -0.16 -0.07 -0.21 0.00 0.00 178.00 178.31 3krz h LEU 177 N 0.00 0.00 0.00 2.35 3.38 -1.92 -3.31 115.31 115.81 3krz h LEU 177 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3krz h LEU 177 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3krz h LEU 177 CO -0.00 0.16 -0.42 -1.54 0.09 0.00 0.00 178.44 176.72 3krz n SER 178 N -3.34 2.11 -4.23 -0.43 3.41 -0.72 -4.93 113.62 105.49 3krz n SER 178 Ca 0.00 -0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 57.92 3krz n SER 178 Cb 0.38 0.98 -0.09 0.00 -0.26 0.00 0.00 64.21 65.23 3krz n SER 178 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3krz s ASN 179 N -1.40 5.73 -0.20 4.04 3.84 -0.29 -4.12 114.94 122.53 3krz s ASN 179 Ca 0.00 -1.82 0.16 0.00 0.21 0.00 0.00 52.86 51.41 3krz s ASN 179 Cb 0.00 -2.02 0.62 0.00 -0.55 0.00 0.00 41.25 39.30 3krz s ASN 179 CO 0.00 -0.67 1.53 0.29 -2.79 0.00 0.00 177.10 175.45 3krz n LYS 180 N 4.93 3.48 -2.06 0.43 4.76 -1.26 -4.64 118.16 123.80 3krz n LYS 180 Ca -0.09 -2.95 -0.36 0.00 -2.87 0.00 0.00 58.31 52.04 3krz n LYS 180 Cb 0.41 -1.98 0.02 0.00 -1.84 0.00 0.00 35.03 31.65 3krz n LYS 180 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3krz s ARG 181 N -2.83 3.13 0.00 1.97 0.52 -1.26 -4.96 118.95 115.52 3krz s ARG 181 Ca 0.46 1.82 0.06 0.00 -0.52 0.00 0.00 55.73 57.56 3krz s ARG 181 Cb 0.37 -2.02 0.10 0.00 0.52 0.00 0.00 34.95 33.91 3krz s ARG 181 CO 0.11 -1.07 0.86 1.63 0.02 0.00 0.00 175.30 176.85 3krz n LYS 182 N -1.37 1.01 0.00 3.54 4.76 -1.26 -3.16 118.16 121.68 3krz n LYS 182 Ca 0.12 -1.22 0.00 0.00 -2.87 0.00 0.00 58.31 54.34 3krz n LYS 182 Cb 0.49 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 3krz n LYS 182 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3krz n ASP 183 N 0.25 0.00 0.00 4.39 5.68 -1.26 -4.91 116.55 120.69 3krz n ASP 183 Ca 0.05 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.41 3krz n ASP 183 Cb 0.23 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.56 3krz n ASP 183 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3krz n GLU 184 N 0.00 0.21 -0.29 0.11 0.00 -1.26 -2.47 120.64 116.95 3krz n GLU 184 Ca 0.00 0.14 0.09 0.00 0.00 0.00 0.00 57.16 57.40 3krz n GLU 184 Cb 0.00 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.19 3krz n GLU 184 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3krz n TYR 185 N -1.27 0.76 -4.04 -1.84 4.01 -1.26 -4.55 117.16 108.96 3krz n TYR 185 Ca 0.07 -0.50 -0.11 0.00 -0.16 0.00 0.00 57.90 57.21 3krz n TYR 185 Cb 0.11 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 3krz n TYR 185 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3krz s GLY 186 N -1.01 0.88 -0.43 2.72 0.00 -1.03 -4.11 107.32 104.34 3krz s GLY 186 Ca 0.38 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.96 3krz s GLY 186 CO 0.26 -0.81 0.00 -2.01 0.00 0.00 0.00 173.10 170.54 3krz n ASN 187 N -0.65 -3.75 -3.51 1.64 4.05 -1.19 -4.64 115.26 107.21 3krz n ASN 187 Ca -0.01 0.10 -0.11 0.00 0.45 0.00 0.00 54.58 55.02 3krz n ASN 187 Cb 0.62 -1.60 -0.03 0.00 1.23 0.00 0.00 39.78 40.00 3krz n ASN 187 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3krz s SER 188 N -2.64 -0.43 0.25 1.20 1.04 -1.26 -5.02 113.70 106.84 3krz s SER 188 Ca 0.00 0.20 -0.04 0.00 0.48 0.00 0.00 55.95 56.59 3krz s SER 188 Cb 0.00 0.41 0.29 0.00 0.10 0.00 0.00 66.02 66.82 3krz s SER 188 CO 0.00 -0.60 1.78 -0.29 0.98 0.00 0.00 173.24 175.12 3krz h ILE 189 N 2.27 1.24 -0.70 -1.02 2.10 -1.99 -0.54 117.51 118.88 3krz h ILE 189 Ca -0.23 -0.88 -0.06 0.00 1.08 0.00 0.00 64.86 64.76 3krz h ILE 189 Cb 1.22 0.61 -0.03 0.00 -1.09 0.00 0.00 36.82 37.53 3krz h ILE 189 CO 0.33 0.33 0.19 -0.33 -1.08 0.00 0.00 178.15 177.59 3krz h GLU 190 N 0.92 1.10 -0.26 2.19 3.07 -1.97 -2.14 114.58 117.49 3krz h GLU 190 Ca 0.20 -0.25 -0.12 0.00 -0.50 0.00 0.00 59.36 58.68 3krz h GLU 190 Cb 0.33 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3krz h GLU 190 CO -0.00 0.97 -0.33 -0.91 -1.40 0.00 0.00 179.01 177.33 3krz h ASN 191 N 1.04 0.58 0.46 1.42 2.35 -1.68 -2.68 115.58 117.08 3krz h ASN 191 Ca 0.22 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 3krz h ASN 191 Cb 0.34 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3krz h ASN 191 CO -0.00 0.88 -0.42 0.03 -1.65 0.00 0.00 177.43 176.26 3krz h ARG 192 N 0.48 0.00 0.00 0.81 3.08 -0.87 -2.58 114.38 115.31 3krz h ARG 192 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3krz h ARG 192 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3krz h ARG 192 CO 0.07 0.42 -0.02 0.00 -1.07 0.00 0.00 179.97 179.37 3krz n ALA 193 N -2.44 2.35 -0.13 0.04 0.00 -0.83 -3.91 120.51 115.59 3krz n ALA 193 Ca -0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 3krz n ALA 193 Cb 0.46 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.48 3krz n ALA 193 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3krz h ARG 194 N 0.00 0.36 -0.07 0.00 2.43 -1.11 -0.60 114.38 115.40 3krz h ARG 194 Ca 0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3krz h ARG 194 Cb 0.60 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3krz h ARG 194 CO 0.00 0.24 -0.00 0.35 -1.51 0.00 0.00 179.97 179.05 3krz h PHE 195 N 0.37 -0.00 -0.58 2.20 3.57 -1.77 -0.26 116.94 120.48 3krz h PHE 195 Ca 0.19 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.73 3krz h PHE 195 Cb 0.13 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 3krz h PHE 195 CO -0.12 -0.01 0.33 1.25 -2.23 0.00 0.00 178.31 177.53 3krz h LEU 196 N 0.02 0.51 -0.71 0.59 5.85 -1.73 -0.73 115.31 119.12 3krz h LEU 196 Ca 0.03 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3krz h LEU 196 Cb 0.04 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3krz h LEU 196 CO -0.05 0.35 0.42 0.40 -0.34 0.00 0.00 178.44 179.22 3krz h ILE 197 N 0.64 1.20 -0.27 4.05 2.04 -0.81 -0.72 117.51 123.65 3krz h ILE 197 Ca 0.24 -0.46 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 3krz h ILE 197 Cb 0.08 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3krz h ILE 197 CO -0.13 0.21 -0.30 -0.33 0.00 0.00 0.00 178.15 177.60 3krz h GLU 198 N 0.96 0.55 -0.19 2.37 5.08 -0.63 -0.86 114.58 121.85 3krz h GLU 198 Ca 0.25 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3krz h GLU 198 Cb -0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3krz h GLU 198 CO -0.05 0.79 0.03 0.28 -1.00 0.00 0.00 179.01 179.06 3krz h VAL 199 N 0.47 1.23 -0.52 3.13 2.07 -0.76 -1.47 116.25 120.40 3krz h VAL 199 Ca 0.06 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3krz h VAL 199 Cb 0.76 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3krz h VAL 199 CO 0.06 0.23 0.33 0.40 0.02 0.00 0.00 177.57 178.62 3krz h ILE 200 N 0.11 1.11 -0.55 4.57 2.04 -0.94 -0.04 117.51 123.80 3krz h ILE 200 Ca 0.06 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3krz h ILE 200 Cb 0.32 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3krz h ILE 200 CO 0.00 0.12 0.33 0.44 0.00 0.00 0.00 178.15 179.05 3krz h ASP 201 N 0.68 0.53 -0.08 1.72 3.32 -1.02 -0.97 116.42 120.60 3krz h ASP 201 Ca 0.20 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.07 3krz h ASP 201 Cb -0.05 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3krz h ASP 201 CO -0.06 0.37 -0.63 -0.08 -1.72 0.00 0.00 179.24 177.12 3krz h GLU 202 N 0.65 0.70 -0.50 3.56 4.57 -0.90 -2.52 114.58 120.14 3krz h GLU 202 Ca 0.22 -0.49 0.06 0.00 -1.18 0.00 0.00 59.36 57.97 3krz h GLU 202 Cb 0.04 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 3krz h GLU 202 CO -0.10 1.11 0.22 0.28 -1.18 0.00 0.00 179.01 179.33 3krz h VAL 203 N 0.51 0.90 -0.38 0.32 2.07 -0.86 -2.67 116.25 116.14 3krz h VAL 203 Ca -0.01 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3krz h VAL 203 Cb 1.22 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3krz h VAL 203 CO 0.13 0.08 0.26 0.03 0.02 0.00 0.00 177.57 178.08 3krz h ARG 204 N 0.43 0.44 0.00 1.57 3.08 -0.87 0.10 114.38 119.13 3krz h ARG 204 Ca 0.23 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3krz h ARG 204 Cb 0.19 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3krz h ARG 204 CO -0.20 0.29 0.00 0.87 -1.07 0.00 0.00 179.97 179.87 3krz h LYS 205 N 0.45 0.00 0.00 0.04 1.57 -1.12 -3.19 116.57 114.32 3krz h LYS 205 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3krz h LYS 205 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3krz h LYS 205 CO -0.03 0.00 -0.01 0.09 -0.57 0.00 0.00 179.45 178.92 3krz n ASN 206 N -2.64 1.92 -3.87 0.86 3.02 0.20 -5.01 115.26 109.75 3krz n ASN 206 Ca 0.02 -2.23 -0.19 0.00 -0.03 0.00 0.00 54.58 52.14 3krz n ASN 206 Cb 0.28 -0.12 -0.16 0.00 -0.61 0.00 0.00 39.78 39.16 3krz n ASN 206 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3krz s TRP 207 N -1.42 0.63 0.20 3.10 -0.11 -0.33 -3.26 118.94 117.75 3krz s TRP 207 Ca 0.09 -0.15 -0.32 0.00 1.22 0.00 0.00 56.10 56.94 3krz s TRP 207 Cb 0.07 -0.60 -0.15 0.00 -1.50 0.00 0.00 33.47 31.30 3krz s TRP 207 CO 0.01 -0.18 1.25 -2.30 -4.62 0.00 0.00 176.95 171.11 3krz n PRO 208 N 4.10 1.48 0.31 5.86 -0.02 -1.26 -4.78 135.00 140.69 3krz n PRO 208 Ca -0.25 0.53 0.20 0.00 -2.02 0.00 0.00 63.50 61.96 3krz n PRO 208 Cb 0.51 -2.08 1.00 0.00 -0.02 0.00 0.00 33.50 32.91 3krz n PRO 208 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3krz h GLU 209 N 3.68 0.00 -0.59 -0.52 4.11 -2.00 -1.84 114.58 117.41 3krz h GLU 209 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3krz h GLU 209 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3krz h GLU 209 CO 0.72 0.02 0.00 0.27 0.07 0.00 0.00 179.01 180.09 3krz n ASN 210 N -3.20 3.23 -4.51 3.06 6.94 -1.26 -4.87 115.26 114.64 3krz n ASN 210 Ca -0.02 -2.04 -0.32 0.00 -0.02 0.00 0.00 54.58 52.18 3krz n ASN 210 Cb 0.15 -0.41 -0.12 0.00 -2.36 0.00 0.00 39.78 37.05 3krz n ASN 210 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3krz s LYS 211 N -1.28 2.46 0.65 -3.83 1.02 -0.69 -1.58 119.74 116.49 3krz s LYS 211 Ca 0.39 -0.74 -0.14 0.00 0.02 0.00 0.00 55.97 55.50 3krz s LYS 211 Cb 0.21 -2.39 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 3krz s LYS 211 CO 0.26 0.61 1.08 -2.14 -0.92 0.00 0.00 175.35 174.24 3krz s PRO 212 N -1.04 2.95 -0.12 -1.68 0.02 -1.26 -4.86 135.00 129.01 3krz s PRO 212 Ca 0.13 1.25 0.02 0.00 0.02 0.00 0.00 61.00 62.42 3krz s PRO 212 Cb -0.11 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.45 3krz s PRO 212 CO 0.03 -1.11 -0.17 0.42 -0.33 0.00 0.00 177.00 175.83 3krz s ILE 213 N -2.52 1.68 0.17 2.83 1.01 -1.26 -2.97 121.20 120.14 3krz s ILE 213 Ca 0.64 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.58 3krz s ILE 213 Cb -0.18 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3krz s ILE 213 CO 0.43 0.48 0.19 -0.36 0.00 0.00 0.00 174.94 175.68 3krz s PHE 214 N 0.97 3.25 -0.06 3.97 0.40 0.80 -0.60 117.98 126.70 3krz s PHE 214 Ca -0.06 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 3krz s PHE 214 Cb -0.15 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 41.85 3krz s PHE 214 CO -0.02 0.52 -0.11 0.08 0.70 0.00 0.00 175.22 176.38 3krz s VAL 215 N -1.79 1.06 -0.17 -0.44 1.01 -0.83 -0.88 120.40 118.36 3krz s VAL 215 Ca 0.32 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 3krz s VAL 215 Cb -0.10 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3krz s VAL 215 CO 0.25 0.34 0.29 -0.60 0.00 0.00 0.00 175.10 175.38 3krz s ARG 216 N 0.69 4.23 0.18 2.72 3.52 -0.42 -0.53 118.95 129.34 3krz s ARG 216 Ca -0.14 0.07 0.09 0.00 -0.13 0.00 0.00 55.73 55.62 3krz s ARG 216 Cb -0.16 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 3krz s ARG 216 CO 0.03 0.18 -0.20 0.14 -0.81 0.00 0.00 175.30 174.65 3krz s VAL 217 N 0.64 1.99 -0.40 7.11 -7.23 -0.73 -0.67 120.40 121.10 3krz s VAL 217 Ca 0.16 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.20 3krz s VAL 217 Cb -0.13 -1.94 0.02 0.00 0.56 0.00 0.00 36.38 34.88 3krz s VAL 217 CO 0.04 -0.27 0.34 -0.44 -0.31 0.00 0.00 175.10 174.45 3krz s SER 218 N -2.72 6.13 0.00 4.85 0.01 -1.26 -0.80 113.70 119.92 3krz s SER 218 Ca 0.18 -0.76 0.29 0.00 1.31 0.00 0.00 55.95 56.97 3krz s SER 218 Cb -0.06 -2.18 1.34 0.00 0.21 0.00 0.00 66.02 65.33 3krz s SER 218 CO 0.08 -0.46 1.93 0.00 0.41 0.00 0.00 173.24 175.20 3krz n ALA 219 N 5.29 2.68 -3.61 1.44 0.00 -0.31 -4.76 120.51 121.24 3krz n ALA 219 Ca -0.10 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 3krz n ALA 219 Cb 0.47 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 3krz n ALA 219 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3krz s ASP 220 N -2.48 -0.58 0.04 0.00 -1.08 -1.26 -2.33 116.67 108.98 3krz s ASP 220 Ca 0.30 1.01 0.25 0.00 -0.52 0.00 0.00 52.55 53.58 3krz s ASP 220 Cb 0.20 0.92 0.47 0.00 -1.46 0.00 0.00 42.92 43.05 3krz s ASP 220 CO 0.47 -0.19 1.39 0.47 0.52 0.00 0.00 175.17 177.82 3krz n ASP 221 N 3.94 0.55 -2.89 -0.34 8.00 -0.53 -0.94 116.55 124.33 3krz n ASP 221 Ca -0.21 -0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.00 3krz n ASP 221 Cb 0.56 0.20 0.02 0.00 -0.02 0.00 0.00 41.12 41.89 3krz n ASP 221 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3krz n TYR 222 N -1.74 -1.76 -3.77 1.24 4.01 -1.26 -4.87 117.16 109.00 3krz n TYR 222 Ca 0.05 0.41 -0.13 0.00 -0.16 0.00 0.00 57.90 58.07 3krz n TYR 222 Cb 0.38 -4.35 -0.11 0.00 -0.31 0.00 0.00 39.34 34.94 3krz n TYR 222 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3krz s MET 223 N -5.57 0.32 0.29 -0.72 -1.94 -1.26 -4.97 119.30 105.45 3krz s MET 223 Ca 0.24 0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 54.31 3krz s MET 223 Cb -0.11 0.15 -0.12 0.00 2.01 0.00 0.00 34.83 36.76 3krz s MET 223 CO 0.30 -0.04 1.53 -0.85 -0.01 0.00 0.00 175.02 175.95 3krz n GLU 224 N 2.99 2.53 0.00 2.03 0.00 -1.26 -1.95 120.64 124.98 3krz n GLU 224 Ca -0.13 0.90 0.00 0.00 0.00 0.00 0.00 57.16 57.93 3krz n GLU 224 Cb 0.58 -2.64 0.00 0.00 0.00 0.00 0.00 31.44 29.38 3krz n GLU 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3krz n GLY 225 N 1.96 2.44 0.00 -1.84 0.00 -1.26 -5.03 105.19 101.45 3krz n GLY 225 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3krz n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krz n GLY 226 N -2.00 1.68 3.77 -0.02 0.00 -0.82 -4.17 105.19 103.63 3krz n GLY 226 Ca 0.00 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 3krz n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3krz s ILE 227 N 0.87 2.20 0.28 -0.61 1.01 -1.26 -4.88 121.20 118.82 3krz s ILE 227 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.86 3krz s ILE 227 Cb 0.00 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 3krz s ILE 227 CO 0.00 0.04 0.11 0.54 0.00 0.00 0.00 174.94 175.63 3krz s ASN 228 N -0.07 1.46 0.30 3.58 2.20 -1.26 -1.45 114.94 119.70 3krz s ASN 228 Ca 0.54 -1.44 0.02 0.00 -0.94 0.00 0.00 52.86 51.04 3krz s ASN 228 Cb -0.45 0.21 0.57 0.00 -2.00 0.00 0.00 41.25 39.57 3krz s ASN 228 CO 0.58 -0.76 1.87 -0.29 -2.94 0.00 0.00 177.10 175.56 3krz h ILE 229 N 2.29 0.98 -0.52 0.54 6.09 -1.87 -1.16 117.51 123.86 3krz h ILE 229 Ca -0.37 -0.34 -0.04 0.00 -1.37 0.00 0.00 64.86 62.74 3krz h ILE 229 Cb 1.25 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.42 3krz h ILE 229 CO 0.60 0.18 0.18 0.44 -3.07 0.00 0.00 178.15 176.48 3krz h ASP 230 N 0.99 0.73 -0.73 2.19 3.32 -1.97 -0.14 116.42 120.81 3krz h ASP 230 Ca 0.45 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3krz h ASP 230 Cb 0.39 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3krz h ASP 230 CO -0.21 0.72 0.34 -0.03 -1.72 0.00 0.00 179.24 178.35 3krz h MET 231 N 0.70 1.05 -0.66 3.56 4.05 -1.67 -2.18 114.93 119.78 3krz h MET 231 Ca 0.17 -0.16 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 3krz h MET 231 Cb 0.24 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 3krz h MET 231 CO -0.01 0.83 0.11 1.98 0.23 0.00 0.00 176.91 180.05 3krz h MET 232 N 1.02 1.08 -0.71 0.39 1.85 -0.87 -1.59 114.93 116.10 3krz h MET 232 Ca 0.25 -0.28 0.08 0.00 -0.61 0.00 0.00 59.70 59.13 3krz h MET 232 Cb 0.14 -0.13 -0.07 0.00 0.43 0.00 0.00 31.60 31.97 3krz h MET 232 CO -0.03 0.99 0.38 0.28 -0.40 0.00 0.00 176.91 178.13 3krz h VAL 233 N 1.01 0.90 -0.46 -5.77 2.07 -0.77 0.13 116.25 113.37 3krz h VAL 233 Ca 0.20 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3krz h VAL 233 Cb 0.43 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3krz h VAL 233 CO 0.01 0.12 0.27 -0.33 0.02 0.00 0.00 177.57 177.66 3krz h GLU 234 N 0.66 0.52 -0.50 1.57 5.08 -0.75 -0.80 114.58 120.36 3krz h GLU 234 Ca 0.34 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 3krz h GLU 234 Cb 0.30 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3krz h GLU 234 CO -0.23 0.34 0.17 1.88 -1.00 0.00 0.00 179.01 180.16 3krz h TYR 235 N 0.53 0.80 -0.63 4.33 0.05 -0.65 -2.87 116.97 118.53 3krz h TYR 235 Ca 0.18 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 3krz h TYR 235 Cb 0.02 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 3krz h TYR 235 CO -0.07 0.69 0.15 0.82 -1.05 0.00 0.00 178.16 178.69 3krz h ILE 236 N 0.67 1.25 -0.12 -2.88 1.08 -0.49 -0.91 117.51 116.11 3krz h ILE 236 Ca 0.16 -0.92 0.04 0.00 -0.39 0.00 0.00 64.86 63.74 3krz h ILE 236 Cb 0.26 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3krz h ILE 236 CO -0.01 0.35 0.10 0.78 -0.69 0.00 0.00 178.15 178.68 3krz h ASN 237 N 0.95 0.00 0.84 1.72 2.35 -1.00 -0.14 115.58 120.31 3krz h ASN 237 Ca 0.20 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 3krz h ASN 237 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3krz h ASN 237 CO 0.00 0.00 -0.42 0.24 -1.65 0.00 0.00 177.43 175.61 3krz h MET 238 N 0.00 0.00 -0.00 0.81 2.86 -0.95 -3.35 114.93 114.30 3krz h MET 238 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3krz h MET 238 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3krz h MET 238 CO -0.00 0.42 -0.12 0.44 1.06 0.00 0.00 176.91 178.70 3krz n ILE 239 N -3.56 0.00 0.25 -1.22 -5.35 -0.72 -4.77 119.36 104.00 3krz n ILE 239 Ca -0.00 -0.44 0.14 0.00 -0.27 0.00 0.00 62.75 62.17 3krz n ILE 239 Cb 0.53 1.06 0.62 0.00 -1.74 0.00 0.00 39.64 40.11 3krz n ILE 239 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3krz h LYS 240 N 0.53 0.00 0.00 6.28 2.10 -1.19 -0.36 116.57 123.93 3krz h LYS 240 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3krz h LYS 240 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3krz h LYS 240 CO 0.00 0.12 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 3krz n ASP 241 N -3.32 0.00 -0.00 7.07 8.00 -1.26 -3.77 116.55 123.26 3krz n ASP 241 Ca -0.00 -0.17 0.02 0.00 0.71 0.00 0.00 54.79 55.35 3krz n ASP 241 Cb 0.33 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 3krz n ASP 241 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3krz n LYS 242 N -1.27 5.62 -4.35 -1.24 5.02 -0.17 -5.05 118.16 116.73 3krz n LYS 242 Ca 0.14 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.24 3krz n LYS 242 Cb 0.22 -0.69 -0.10 0.00 -0.02 0.00 0.00 35.03 34.43 3krz n LYS 242 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3krz s VAL 243 N -1.35 0.94 -0.09 -0.18 -7.23 -1.08 -4.91 120.40 106.50 3krz s VAL 243 Ca 0.02 -2.02 0.11 0.00 -1.81 0.00 0.00 61.98 58.28 3krz s VAL 243 Cb 0.03 -2.51 -0.17 0.00 0.56 0.00 0.00 36.38 34.29 3krz s VAL 243 CO 0.16 -0.17 0.12 0.47 -0.31 0.00 0.00 175.10 175.36 3krz n ASP 244 N -0.48 2.04 -3.64 4.85 8.00 0.23 -4.84 116.55 122.71 3krz n ASP 244 Ca -0.03 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.32 3krz n ASP 244 Cb 0.65 1.06 -0.08 0.00 -0.02 0.00 0.00 41.12 42.73 3krz n ASP 244 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3krz s LEU 245 N -4.56 -0.39 -0.25 0.64 0.20 -1.22 -4.13 118.68 108.97 3krz s LEU 245 Ca -0.06 1.14 -0.07 0.00 0.69 0.00 0.00 54.13 55.83 3krz s LEU 245 Cb 0.05 2.18 -0.03 0.00 -0.43 0.00 0.00 46.19 47.97 3krz s LEU 245 CO 0.51 -0.29 0.07 -0.63 -0.29 0.00 0.00 176.35 175.72 3krz s ILE 246 N 0.04 4.32 -0.54 6.68 -1.09 -0.28 -1.96 121.20 128.38 3krz s ILE 246 Ca -0.02 -0.17 -0.23 0.00 -2.23 0.00 0.00 60.65 58.00 3krz s ILE 246 Cb -0.04 -3.03 0.04 0.00 -1.58 0.00 0.00 42.46 37.86 3krz s ILE 246 CO 0.02 0.34 0.88 -0.62 -1.23 0.00 0.00 174.94 174.33 3krz s ASP 247 N 1.62 6.32 -0.28 3.58 -1.08 0.31 -1.28 116.67 125.86 3krz s ASP 247 Ca 0.06 -0.44 -0.17 0.00 -0.52 0.00 0.00 52.55 51.48 3krz s ASP 247 Cb -0.15 -2.41 -0.03 0.00 -1.46 0.00 0.00 42.92 38.88 3krz s ASP 247 CO 0.04 -1.15 0.47 -0.69 0.52 0.00 0.00 175.17 174.35 3krz s VAL 248 N 3.68 5.09 0.00 1.11 1.01 -0.75 -1.76 120.40 128.77 3krz s VAL 248 Ca 0.28 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3krz s VAL 248 Cb -0.14 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3krz s VAL 248 CO 0.18 0.04 0.00 -0.24 0.00 0.00 0.00 175.10 175.08 3krz n SER 249 N 5.51 0.94 -3.67 3.32 2.88 0.02 -4.18 113.62 118.44 3krz n SER 249 Ca -0.06 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.43 3krz n SER 249 Cb 0.50 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 3krz n SER 249 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3krz s SER 250 N 1.00 -0.25 0.23 -3.46 1.04 -1.26 -1.16 113.70 109.85 3krz s SER 250 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3krz s SER 250 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3krz s SER 250 CO 0.00 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3krz n GLY 251 N -0.40 -1.93 0.00 7.32 0.00 -0.12 -4.75 105.19 105.31 3krz n GLY 251 Ca -0.07 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3krz n GLY 251 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krz n GLY 252 N -1.32 3.18 0.11 -0.02 0.00 -1.26 -3.40 105.19 102.48 3krz n GLY 252 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3krz n GLY 252 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3krz h LEU 253 N 0.00 0.28 -7.82 0.99 5.85 -1.86 -3.33 115.31 109.42 3krz h LEU 253 Ca 0.00 -0.51 -0.15 0.00 0.84 0.00 0.00 57.88 58.06 3krz h LEU 253 Cb 0.00 -0.08 -0.20 0.00 0.37 0.00 0.00 40.66 40.75 3krz h LEU 253 CO 0.00 0.74 -0.55 -0.76 -0.34 0.00 0.00 178.44 177.53 3krz s LEU 254 N -9.07 1.75 0.03 2.25 1.43 -1.26 -4.85 118.68 108.97 3krz s LEU 254 Ca -0.15 -0.31 -0.33 0.00 -1.03 0.00 0.00 54.13 52.31 3krz s LEU 254 Cb 0.04 0.52 -0.12 0.00 0.03 0.00 0.00 46.19 46.66 3krz s LEU 254 CO 0.73 -0.36 1.79 -3.20 0.23 0.00 0.00 176.35 175.55 3krz n ASN 255 N 1.44 3.52 -3.81 2.29 2.85 -1.26 -4.98 115.26 115.30 3krz n ASN 255 Ca -0.23 1.00 -0.11 0.00 -0.11 0.00 0.00 54.58 55.13 3krz n ASN 255 Cb 0.56 -1.43 -0.08 0.00 1.24 0.00 0.00 39.78 40.06 3krz n ASN 255 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3krz s VAL 256 N 2.94 0.09 -0.06 3.44 -7.23 -1.26 -5.14 120.40 113.18 3krz s VAL 256 Ca 0.86 -0.75 -0.22 0.00 -1.81 0.00 0.00 61.98 60.06 3krz s VAL 256 Cb -0.63 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 3krz s VAL 256 CO 0.44 -0.41 0.64 -1.81 -0.31 0.00 0.00 175.10 173.65 3krz s ASP 257 N -1.86 6.94 -0.06 4.85 1.01 -1.26 -5.05 116.67 121.24 3krz s ASP 257 Ca -0.08 1.12 0.03 0.00 0.71 0.00 0.00 52.55 54.34 3krz s ASP 257 Cb -0.03 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.53 3krz s ASP 257 CO -0.02 -0.05 -0.14 -0.63 0.21 0.00 0.00 175.17 174.54 3krz s ILE 258 N 0.55 1.27 -0.04 0.77 1.01 -1.26 -5.08 121.20 118.42 3krz s ILE 258 Ca 0.34 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 3krz s ILE 258 Cb -0.17 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 3krz s ILE 258 CO 0.17 0.38 1.54 0.21 0.00 0.00 0.00 174.94 177.24 3krz s ASN 259 N 0.41 6.74 -0.15 3.58 2.47 -1.26 -5.01 114.94 121.72 3krz s ASN 259 Ca -0.11 2.17 -0.03 0.00 0.42 0.00 0.00 52.86 55.32 3krz s ASN 259 Cb -0.14 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.09 3krz s ASN 259 CO 0.03 -0.85 -0.06 -0.76 -3.72 0.00 0.00 177.10 171.75 3krz s LEU 260 N 3.36 3.11 0.14 3.21 1.43 -1.26 -4.96 118.68 123.72 3krz s LEU 260 Ca 0.69 -0.19 -0.24 0.00 -1.03 0.00 0.00 54.13 53.36 3krz s LEU 260 Cb -0.32 -1.74 0.07 0.00 0.03 0.00 0.00 46.19 44.22 3krz s LEU 260 CO 0.27 0.16 0.76 -0.72 0.23 0.00 0.00 176.35 177.05 3krz s TYR 261 N 0.40 -0.35 0.15 0.29 -0.85 -1.26 -5.08 117.35 110.65 3krz s TYR 261 Ca -0.05 0.09 -0.33 0.00 -0.52 0.00 0.00 57.07 56.25 3krz s TYR 261 Cb -0.15 0.60 -0.13 0.00 0.38 0.00 0.00 41.96 42.66 3krz s TYR 261 CO 0.03 -0.85 1.66 -2.30 -1.52 0.00 0.00 175.55 172.57 3krz n PRO 262 N -0.38 2.37 -1.10 -3.49 -0.02 -1.26 -1.99 135.00 129.13 3krz n PRO 262 Ca -0.10 0.86 -0.01 0.00 -2.02 0.00 0.00 63.50 62.22 3krz n PRO 262 Cb 0.62 -2.66 -0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3krz n PRO 262 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3krz n GLY 263 N 3.71 0.45 0.05 -1.23 0.00 -1.00 -4.94 105.19 102.23 3krz n GLY 263 Ca 0.17 -1.03 0.08 0.00 0.00 0.00 0.00 46.02 45.24 3krz n GLY 263 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3krz n TYR 264 N -3.04 0.31 0.23 1.61 0.18 -0.84 -1.88 117.16 113.73 3krz n TYR 264 Ca -0.01 0.12 0.05 0.00 1.88 0.00 0.00 57.90 59.95 3krz n TYR 264 Cb 0.07 -0.70 0.08 0.00 -0.38 0.00 0.00 39.34 38.40 3krz n TYR 264 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3krz n GLN 265 N -1.79 1.26 -0.04 -3.48 6.02 -1.26 -4.71 117.38 113.39 3krz n GLN 265 Ca 0.03 -1.42 -0.08 0.00 -0.01 0.00 0.00 57.00 55.52 3krz n GLN 265 Cb 0.18 -1.22 0.09 0.00 1.02 0.00 0.00 30.24 30.31 3krz n GLN 265 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3krz h VAL 266 N 2.00 1.29 -0.55 5.09 2.07 -1.64 -2.89 116.25 121.63 3krz h VAL 266 Ca 0.00 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 3krz h VAL 266 Cb 0.53 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3krz h VAL 266 CO 0.00 0.48 0.28 0.11 0.02 0.00 0.00 177.57 178.47 3krz h LYS 267 N 0.55 0.76 -0.67 1.57 1.57 -1.84 -0.56 116.57 117.95 3krz h LYS 267 Ca 0.06 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3krz h LYS 267 Cb 0.86 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 3krz h LYS 267 CO 0.07 0.57 0.33 1.88 -0.57 0.00 0.00 179.45 181.73 3krz h TYR 268 N 0.76 0.95 -0.68 -1.35 0.05 -1.85 -1.34 116.97 113.51 3krz h TYR 268 Ca 0.19 -0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 3krz h TYR 268 Cb 0.05 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 3krz h TYR 268 CO 0.01 0.71 0.14 0.00 -1.05 0.00 0.00 178.16 177.96 3krz h ALA 269 N 1.15 0.90 -0.34 3.88 0.00 -1.18 -1.98 119.26 121.69 3krz h ALA 269 Ca 0.23 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3krz h ALA 269 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3krz h ALA 269 CO -0.03 0.65 -0.17 1.49 0.00 0.00 0.00 179.25 181.18 3krz h GLU 270 N 1.03 0.71 -0.34 0.00 4.81 -0.92 -1.61 114.58 118.27 3krz h GLU 270 Ca 0.21 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3krz h GLU 270 Cb 0.41 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3krz h GLU 270 CO 0.01 0.92 0.20 1.15 -0.73 0.00 0.00 179.01 180.56 3krz h THR 271 N 0.49 1.13 -0.23 0.32 2.02 -1.17 -0.73 112.91 114.74 3krz h THR 271 Ca 0.07 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3krz h THR 271 Cb 0.71 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3krz h THR 271 CO 0.05 0.13 0.13 0.40 0.37 0.00 0.00 175.52 176.59 3krz h ILE 272 N 0.44 1.11 -0.45 3.11 2.04 -1.37 0.78 117.51 123.17 3krz h ILE 272 Ca 0.12 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.76 3krz h ILE 272 Cb 0.03 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 3krz h ILE 272 CO -0.02 0.11 0.09 0.50 0.00 0.00 0.00 178.15 178.83 3krz h LYS 273 N 0.26 0.22 0.01 2.37 3.64 -1.07 0.25 116.57 122.26 3krz h LYS 273 Ca 0.08 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3krz h LYS 273 Cb 0.06 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3krz h LYS 273 CO -0.01 0.15 -0.22 0.87 -2.27 0.00 0.00 179.45 177.97 3krz h LYS 274 N 0.23 0.12 -0.01 1.90 6.56 -1.05 -1.42 116.57 122.90 3krz h LYS 274 Ca 0.22 -0.15 -0.14 0.00 -1.06 0.00 0.00 60.65 59.52 3krz h LYS 274 Cb 0.28 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 3krz h LYS 274 CO -0.29 0.95 -0.67 0.00 -2.06 0.00 0.00 179.45 177.39 3krz h ARG 275 N -0.64 0.07 0.00 3.15 3.08 -0.85 -3.28 114.38 115.91 3krz h ARG 275 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3krz h ARG 275 Cb 1.04 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3krz h ARG 275 CO 0.04 0.71 -1.02 0.00 -1.07 0.00 0.00 179.97 178.63 3krz n ASN 277 N -1.52 -3.02 -4.12 0.00 5.15 -0.54 -4.99 115.26 106.23 3krz n ASN 277 Ca 0.03 -0.90 -0.13 0.00 -0.60 0.00 0.00 54.58 52.99 3krz n ASN 277 Cb 0.33 -3.84 -0.11 0.00 -0.53 0.00 0.00 39.78 35.63 3krz n ASN 277 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3krz s ILE 278 N -3.61 0.70 0.42 -1.44 2.07 -1.18 -5.07 121.20 113.09 3krz s ILE 278 Ca 0.21 -1.40 -0.25 0.00 -1.41 0.00 0.00 60.65 57.80 3krz s ILE 278 Cb -0.06 -1.03 -0.08 0.00 0.13 0.00 0.00 42.46 41.41 3krz s ILE 278 CO 0.83 -0.51 1.26 -0.54 -1.91 0.00 0.00 174.94 174.07 3krz s LYS 279 N -2.33 3.90 0.10 3.50 1.02 -1.26 -4.35 119.74 120.32 3krz s LYS 279 Ca -0.01 2.06 0.03 0.00 0.02 0.00 0.00 55.97 58.06 3krz s LYS 279 Cb -0.05 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 3krz s LYS 279 CO -0.01 -0.52 -0.09 0.95 -0.92 0.00 0.00 175.35 174.77 3krz s THR 280 N -1.32 0.87 -0.02 2.17 -4.23 -1.26 -1.12 115.64 110.73 3krz s THR 280 Ca 0.59 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 3krz s THR 280 Cb -0.36 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 3krz s THR 280 CO 0.45 -0.61 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.28 3krz s SER 281 N -2.52 4.47 0.01 3.99 0.15 -0.40 -0.06 113.70 119.33 3krz s SER 281 Ca 0.06 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.58 3krz s SER 281 Cb -0.02 -1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 3krz s SER 281 CO -0.01 0.31 -0.03 0.00 1.20 0.00 0.00 173.24 174.71 3krz s ALA 282 N -0.91 3.17 -0.03 5.45 0.00 -0.66 -1.81 121.76 126.97 3krz s ALA 282 Ca 0.15 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.90 3krz s ALA 282 Cb -0.11 -1.24 0.04 0.00 0.00 0.00 0.00 23.12 21.81 3krz s ALA 282 CO 0.05 0.64 0.47 0.54 0.00 0.00 0.00 175.76 177.46 3krz s VAL 283 N -1.06 0.03 0.00 0.00 0.11 -1.26 -0.71 120.40 117.51 3krz s VAL 283 Ca 0.19 -0.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 3krz s VAL 283 Cb -0.11 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 3krz s VAL 283 CO 0.10 -0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 3krz n GLY 284 N 1.13 2.48 2.37 6.54 0.00 -1.26 -4.35 105.19 112.10 3krz n GLY 284 Ca -0.20 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 3krz n GLY 284 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3krz n LEU 285 N 0.00 -1.67 -4.64 0.99 4.77 -1.26 -2.37 117.00 112.82 3krz n LEU 285 Ca 0.00 0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 3krz n LEU 285 Cb 0.00 -2.50 -0.07 0.00 -2.33 0.00 0.00 43.42 38.52 3krz n LEU 285 CO 0.00 -0.34 0.29 -0.63 -1.33 0.00 0.00 177.39 175.38 3krz s ILE 286 N -2.81 5.06 0.00 -0.08 1.01 -1.26 -4.18 121.20 118.94 3krz s ILE 286 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.65 3krz s ILE 286 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3krz s ILE 286 CO 0.00 0.10 0.00 0.35 0.00 0.00 0.00 174.94 175.39 3krz n THR 287 N 4.92 0.00 -4.18 2.92 -2.24 -1.26 -4.75 114.28 109.69 3krz n THR 287 Ca -0.03 -0.10 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 3krz n THR 287 Cb 0.50 0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 3krz n THR 287 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3krz s THR 288 N -0.75 4.20 0.25 4.28 -4.23 -1.26 -5.01 115.64 113.12 3krz s THR 288 Ca 0.00 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 59.72 3krz s THR 288 Cb 0.00 -2.94 0.24 0.00 1.34 0.00 0.00 72.50 71.14 3krz s THR 288 CO 0.00 0.25 1.86 -0.61 -0.54 0.00 0.00 174.62 175.58 3krz h GLN 289 N 3.85 1.03 -0.02 3.99 4.15 -1.98 -1.75 115.11 124.38 3krz h GLN 289 Ca -0.48 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 58.91 3krz h GLN 289 Cb 1.17 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.59 3krz h GLN 289 CO 0.60 0.68 -0.20 1.49 -1.93 0.00 0.00 178.83 179.46 3krz h GLU 290 N 1.06 -0.30 -0.59 1.69 4.81 -1.99 0.58 114.58 119.84 3krz h GLU 290 Ca 0.40 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 3krz h GLU 290 Cb 0.17 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3krz h GLU 290 CO -0.17 -0.20 0.07 1.25 -0.73 0.00 0.00 179.01 179.22 3krz h LEU 291 N -0.32 0.96 -0.64 1.64 5.85 -1.94 -1.86 115.31 119.00 3krz h LEU 291 Ca 0.06 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.56 3krz h LEU 291 Cb 0.40 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3krz h LEU 291 CO -0.20 0.99 0.36 0.00 -0.34 0.00 0.00 178.44 179.25 3krz h ALA 292 N 1.00 0.85 -0.64 1.25 0.00 -1.04 -1.21 119.26 119.47 3krz h ALA 292 Ca 0.17 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3krz h ALA 292 Cb 0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3krz h ALA 292 CO 0.02 0.04 0.06 0.93 0.00 0.00 0.00 179.25 180.30 3krz h GLU 293 N 0.67 1.08 -0.34 0.00 5.08 -0.70 -2.29 114.58 118.08 3krz h GLU 293 Ca 0.28 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3krz h GLU 293 Cb 0.16 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3krz h GLU 293 CO -0.17 1.01 0.13 1.49 -1.00 0.00 0.00 179.01 180.47 3krz h GLU 294 N 1.00 0.51 -0.32 2.33 4.22 -0.87 0.15 114.58 121.60 3krz h GLU 294 Ca 0.19 -0.09 0.05 0.00 0.08 0.00 0.00 59.36 59.58 3krz h GLU 294 Cb 0.48 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 3krz h GLU 294 CO 0.02 0.50 0.05 0.82 -2.18 0.00 0.00 179.01 178.23 3krz h ILE 295 N 0.40 0.83 -0.24 2.32 2.04 -1.09 -0.80 117.51 120.97 3krz h ILE 295 Ca 0.11 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.78 3krz h ILE 295 Cb 0.19 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3krz h ILE 295 CO -0.01 0.03 -0.39 -0.07 0.00 0.00 0.00 178.15 177.71 3krz h LEU 296 N 0.16 0.76 -0.52 1.44 3.38 -1.27 -1.01 115.31 118.25 3krz h LEU 296 Ca 0.15 -0.53 -0.16 0.00 0.09 0.00 0.00 57.88 57.44 3krz h LEU 296 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3krz h LEU 296 CO -0.21 1.14 -0.74 0.28 0.09 0.00 0.00 178.44 179.00 3krz h SER 297 N 0.40 0.00 -0.13 -0.43 0.02 -0.85 -2.04 113.55 110.52 3krz h SER 297 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3krz h SER 297 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3krz h SER 297 CO 0.09 0.74 0.00 0.59 -1.14 0.00 0.00 176.83 177.11 3krz n ASN 298 N -3.65 0.76 -3.81 3.07 5.03 -0.32 -4.92 115.26 111.41 3krz n ASN 298 Ca -0.01 -1.88 -0.28 0.00 0.87 0.00 0.00 54.58 53.29 3krz n ASN 298 Cb 0.72 -0.08 0.04 0.00 -1.02 0.00 0.00 39.78 39.44 3krz n ASN 298 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3krz n GLU 299 N -0.14 -6.06 0.15 3.52 1.02 -0.77 -4.88 120.64 113.47 3krz n GLU 299 Ca 0.08 0.66 0.06 0.00 -0.02 0.00 0.00 57.16 57.93 3krz n GLU 299 Cb 0.14 -5.56 0.05 0.00 -0.02 0.00 0.00 31.44 26.05 3krz n GLU 299 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3krz h ARG 300 N -2.21 0.00 -2.82 3.49 3.08 -1.40 -3.48 114.38 111.04 3krz h ARG 300 Ca -0.58 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.52 3krz h ARG 300 Cb 1.37 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.32 3krz h ARG 300 CO 0.63 0.29 0.29 0.00 -1.07 0.00 0.00 179.97 180.11 3krz s ALA 301 N -3.07 -1.53 -0.13 0.04 0.00 -1.24 -2.70 121.76 113.14 3krz s ALA 301 Ca 0.04 0.30 0.19 0.00 0.00 0.00 0.00 51.96 52.48 3krz s ALA 301 Cb 0.07 0.78 -0.23 0.00 0.00 0.00 0.00 23.12 23.73 3krz s ALA 301 CO 0.74 -0.87 0.44 -0.25 0.00 0.00 0.00 175.76 175.82 3krz n ASP 302 N -0.39 0.31 -4.17 0.00 8.00 0.92 -4.50 116.55 116.71 3krz n ASP 302 Ca -0.11 0.14 -0.18 0.00 0.71 0.00 0.00 54.79 55.35 3krz n ASP 302 Cb 0.62 0.96 -0.12 0.00 -0.02 0.00 0.00 41.12 42.56 3krz n ASP 302 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3krz s LEU 303 N -5.35 2.28 -0.19 0.64 1.43 -1.05 -4.88 118.68 111.56 3krz s LEU 303 Ca -0.07 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.38 3krz s LEU 303 Cb 0.09 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.80 3krz s LEU 303 CO 0.84 -0.09 -0.06 -0.69 0.23 0.00 0.00 176.35 176.59 3krz s VAL 304 N -1.31 3.42 -0.14 -1.59 1.01 -0.15 -1.66 120.40 119.99 3krz s VAL 304 Ca -0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 3krz s VAL 304 Cb -0.10 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 3krz s VAL 304 CO 0.02 0.46 0.17 0.00 0.00 0.00 0.00 175.10 175.75 3krz s ALA 305 N 1.05 3.78 -0.11 5.51 0.00 0.12 -1.26 121.76 130.84 3krz s ALA 305 Ca 0.01 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3krz s ALA 305 Cb -0.15 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.87 3krz s ALA 305 CO -0.00 0.41 -0.22 -0.51 0.00 0.00 0.00 175.76 175.44 3krz s LEU 306 N -0.45 2.17 0.00 0.00 1.43 -0.11 -4.49 118.68 117.23 3krz s LEU 306 Ca 0.14 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3krz s LEU 306 Cb -0.12 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3krz s LEU 306 CO 0.03 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.37 3krz n GLY 307 N 3.61 0.05 0.36 -3.19 0.00 -1.26 -1.15 105.19 103.61 3krz n GLY 307 Ca -0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.93 3krz n GLY 307 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3krz h ARG 308 N 0.00 0.61 -0.86 1.61 3.08 -1.95 -0.64 114.38 116.23 3krz h ARG 308 Ca 0.00 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3krz h ARG 308 Cb 0.00 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 3krz h ARG 308 CO 0.00 0.40 0.56 1.49 -1.07 0.00 0.00 179.97 181.36 3krz h GLU 309 N 0.63 1.02 0.00 0.04 4.57 -1.88 -1.42 114.58 117.54 3krz h GLU 309 Ca 0.36 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 3krz h GLU 309 Cb 0.55 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3krz h GLU 309 CO -0.13 0.67 0.00 -0.07 -1.18 0.00 0.00 179.01 178.30 3krz h LEU 310 N 1.05 0.00 -0.04 1.64 3.38 -1.33 0.11 115.31 120.12 3krz h LEU 310 Ca 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 3krz h LEU 310 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3krz h LEU 310 CO -0.11 0.00 -0.06 -0.07 0.09 0.00 0.00 178.44 178.30 3krz h LEU 311 N 0.00 0.12 0.00 1.67 3.38 -1.05 -3.22 115.31 116.20 3krz h LEU 311 Ca 0.00 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 3krz h LEU 311 Cb 0.62 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3krz h LEU 311 CO 0.00 0.63 -0.73 0.08 0.09 0.00 0.00 178.44 178.51 3krz h ARG 312 N -0.39 0.00 -2.01 1.13 0.11 -1.33 -3.40 114.38 108.48 3krz h ARG 312 Ca 0.00 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.53 3krz h ARG 312 Cb 0.61 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 31.29 3krz h ARG 312 CO 0.01 0.44 -1.08 -1.71 0.10 0.00 0.00 179.97 177.74 3krz n ASN 313 N -3.13 0.46 0.28 0.08 5.15 0.37 -5.00 115.26 113.48 3krz n ASN 313 Ca -0.01 -2.76 0.16 0.00 -0.60 0.00 0.00 54.58 51.37 3krz n ASN 313 Cb 0.76 -0.64 0.82 0.00 -0.53 0.00 0.00 39.78 40.18 3krz n ASN 313 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3krz h PRO 314 N 3.94 0.00 -0.68 1.20 0.13 -1.76 -2.18 132.00 132.65 3krz h PRO 314 Ca 0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.12 3krz h PRO 314 Cb 0.87 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.95 3krz h PRO 314 CO 0.49 0.06 0.11 0.66 -0.23 0.00 0.00 178.00 179.09 3krz n TYR 315 N -3.34 2.11 -0.31 1.56 4.02 -1.26 -4.48 117.16 115.46 3krz n TYR 315 Ca -0.01 -0.87 0.09 0.00 -0.01 0.00 0.00 57.90 57.10 3krz n TYR 315 Cb 0.23 -0.56 0.20 0.00 -0.02 0.00 0.00 39.34 39.19 3krz n TYR 315 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 3krz h TRP 316 N 3.20 -0.18 -0.44 -0.72 7.01 -1.62 -1.66 115.95 121.54 3krz h TRP 316 Ca 0.11 0.07 -0.04 0.00 2.11 0.00 0.00 58.89 61.14 3krz h TRP 316 Cb 2.04 0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 29.30 3krz h TRP 316 CO 1.10 -0.36 0.12 0.28 -2.79 0.00 0.00 178.44 176.79 3krz h VAL 317 N 0.04 1.23 -0.98 2.65 2.07 -1.83 -2.63 116.25 116.79 3krz h VAL 317 Ca 0.50 -0.78 0.15 0.00 0.82 0.00 0.00 66.70 67.39 3krz h VAL 317 Cb 0.91 0.90 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 3krz h VAL 317 CO -0.85 0.28 0.62 -0.07 0.02 0.00 0.00 177.57 177.56 3krz h LEU 318 N 0.58 0.82 -1.56 2.57 3.38 -1.07 0.24 115.31 120.26 3krz h LEU 318 Ca 0.14 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3krz h LEU 318 Cb 0.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3krz h LEU 318 CO -0.00 0.39 0.00 0.45 0.09 0.00 0.00 178.44 179.37 3krz h HIS 319 N 0.86 0.00 0.00 1.13 3.86 -1.08 -2.43 115.15 117.48 3krz h HIS 319 Ca 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.73 3krz h HIS 319 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 3krz h HIS 319 CO -0.00 0.00 -0.33 1.79 0.86 0.00 0.00 177.93 180.25 3krz h THR 320 N 0.00 0.00 -3.98 2.45 1.35 -0.89 -3.47 112.91 108.37 3krz h THR 320 Ca 0.00 -0.51 -0.49 0.00 -0.55 0.00 0.00 66.41 64.86 3krz h THR 320 Cb 0.32 1.29 0.04 0.00 -1.73 0.00 0.00 68.15 68.07 3krz h THR 320 CO 0.00 0.00 0.44 -0.31 -0.25 0.00 0.00 175.52 175.40 3krz s TYR 321 N -3.14 3.11 -1.63 4.73 2.02 -0.92 -4.97 117.35 116.56 3krz s TYR 321 Ca 0.08 1.60 0.16 0.00 -0.37 0.00 0.00 57.07 58.54 3krz s TYR 321 Cb 0.13 -3.24 0.03 0.00 -0.40 0.00 0.00 41.96 38.48 3krz s TYR 321 CO 0.66 -0.99 0.90 0.25 -1.57 0.00 0.00 175.55 174.80 3krz n THR 322 N -0.21 0.00 -4.16 -0.71 -2.24 -1.26 -4.97 114.28 100.73 3krz n THR 322 Ca 0.06 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 3krz n THR 322 Cb 0.49 1.23 -0.12 0.00 -2.10 0.00 0.00 70.33 69.83 3krz n THR 322 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3krz s SER 323 N -1.75 1.26 0.54 3.42 1.04 -1.26 -5.04 113.70 111.91 3krz s SER 323 Ca 0.15 -0.52 0.22 0.00 0.48 0.00 0.00 55.95 56.27 3krz s SER 323 Cb 0.13 -0.03 1.48 0.00 0.10 0.00 0.00 66.02 67.70 3krz s SER 323 CO 0.35 -0.10 2.18 0.07 0.98 0.00 0.00 173.24 176.73 3krz h LYS 324 N 4.62 0.00 0.00 4.02 2.10 -1.93 -2.56 116.57 122.82 3krz h LYS 324 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 3krz h LYS 324 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3krz h LYS 324 CO 0.42 0.01 0.00 0.93 -2.00 0.00 0.00 179.45 178.81 3krz h GLU 325 N 0.00 0.00 0.00 0.07 3.07 -1.96 -1.28 114.58 114.47 3krz h GLU 325 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3krz h GLU 325 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3krz h GLU 325 CO 0.00 0.00 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.15 3krz h ASP 326 N 0.00 0.00 -3.87 1.42 3.32 -1.89 -3.47 116.42 111.93 3krz h ASP 326 Ca 0.00 -0.01 -0.49 0.00 0.02 0.00 0.00 57.03 56.55 3krz h ASP 326 Cb 0.22 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.79 3krz h ASP 326 CO 0.00 0.00 0.22 0.26 -1.72 0.00 0.00 179.24 178.00 3krz s TRP 327 N -3.14 3.52 0.23 4.55 0.52 -0.49 -5.02 118.94 119.12 3krz s TRP 327 Ca 0.09 1.11 -0.31 0.00 0.02 0.00 0.00 56.10 57.01 3krz s TRP 327 Cb 0.10 -2.52 -0.14 0.00 -1.15 0.00 0.00 33.47 29.76 3krz s TRP 327 CO 0.62 -0.30 1.29 -2.30 0.02 0.00 0.00 176.95 176.29 3krz n PRO 328 N -1.84 1.74 -0.20 4.98 -0.02 -1.26 -4.85 135.00 133.55 3krz n PRO 328 Ca 0.03 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 3krz n PRO 328 Cb 0.54 -2.20 0.41 0.00 -0.02 0.00 0.00 33.50 32.23 3krz n PRO 328 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3krz h LYS 329 N 3.65 0.60 0.00 -0.52 1.63 -1.93 -0.26 116.57 119.74 3krz h LYS 329 Ca -0.44 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.32 3krz h LYS 329 Cb 1.30 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 3krz h LYS 329 CO 0.72 0.40 -0.01 1.96 -3.45 0.00 0.00 179.45 179.07 3krz h GLN 330 N 0.62 0.00 -0.24 1.90 7.50 -2.01 -2.64 115.11 120.25 3krz h GLN 330 Ca 0.37 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.52 3krz h GLN 330 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.11 3krz h GLN 330 CO -0.14 0.01 0.00 0.66 -1.50 0.00 0.00 178.83 177.86 3krz n TYR 331 N -3.12 0.31 -0.28 2.96 4.01 -0.13 -4.69 117.16 116.22 3krz n TYR 331 Ca -0.01 -0.35 0.13 0.00 -0.16 0.00 0.00 57.90 57.50 3krz n TYR 331 Cb 0.19 -0.02 0.38 0.00 -0.31 0.00 0.00 39.34 39.58 3krz n TYR 331 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3krz h GLU 332 N 1.98 0.66 0.00 -0.72 4.81 -1.24 0.56 114.58 120.63 3krz h GLU 332 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3krz h GLU 332 Cb 0.64 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3krz h GLU 332 CO 0.00 0.44 0.00 0.54 -0.73 0.00 0.00 179.01 179.26 3krz n ARG 333 N -4.58 0.14 0.00 1.92 5.12 -1.26 -2.27 116.66 115.73 3krz n ARG 333 Ca 0.18 0.18 0.11 0.00 -1.93 0.00 0.00 57.85 56.40 3krz n ARG 333 Cb 0.50 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.36 3krz n ARG 333 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3krz n ALA 334 N -1.36 3.28 -1.76 7.54 0.00 0.19 -4.97 120.51 123.43 3krz n ALA 334 Ca 0.06 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 3krz n ALA 334 Cb 0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 3krz n ALA 334 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3krz s PHE 335 N -2.37 2.72 -2.88 0.00 5.36 -0.96 -5.18 117.98 114.67 3krz s PHE 335 Ca 0.21 0.82 0.25 0.00 -0.96 0.00 0.00 56.93 57.25 3krz s PHE 335 Cb 0.19 -4.08 0.40 0.00 -0.34 0.00 0.00 43.02 39.20 3krz s PHE 335 CO 0.51 -3.56 1.38 1.63 -1.46 0.00 0.00 175.22 173.72