#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krz h ILE 3 N 0.00 0.44 0.00 2.46 2.10 -2.00 -0.36 117.51 120.16 3krz h ILE 3 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 3krz h ILE 3 Cb 0.00 0.86 -0.00 0.00 -1.09 0.00 0.00 36.82 36.59 3krz h ILE 3 CO 0.00 0.00 -0.01 -0.07 -1.08 0.00 0.00 178.15 176.99 3krz h LEU 4 N 0.00 0.00 -0.91 2.19 3.38 -1.94 -2.78 115.31 115.25 3krz h LEU 4 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3krz h LEU 4 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3krz h LEU 4 CO -0.00 0.01 0.00 1.41 0.09 0.00 0.00 178.44 179.95 3krz n HIS 5 N -4.01 0.05 -2.54 1.13 8.25 -0.14 -0.66 115.22 117.30 3krz n HIS 5 Ca -0.03 -0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 3krz n HIS 5 Cb 0.10 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.95 4.49 0.77 -0.41 -1.94 -1.05 -4.58 119.30 114.64 3krz s MET 6 Ca 0.37 1.63 -0.13 0.00 -1.71 0.00 0.00 55.69 55.85 3krz s MET 6 Cb 0.20 -3.38 0.06 0.00 2.01 0.00 0.00 34.83 33.72 3krz s MET 6 CO 0.32 -0.15 1.16 -2.14 -0.01 0.00 0.00 175.02 174.20 3krz s PRO 7 N 0.93 1.99 -0.12 2.03 0.02 -1.24 -3.87 135.00 134.74 3krz s PRO 7 Ca 0.55 1.59 -0.01 0.00 0.02 0.00 0.00 61.00 63.15 3krz s PRO 7 Cb -0.26 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.45 3krz s PRO 7 CO 0.29 -1.91 -0.05 -1.17 -0.33 0.00 0.00 177.00 173.82 3krz s LEU 8 N -5.54 1.16 -0.21 -5.54 2.96 0.20 -4.93 118.68 106.78 3krz s LEU 8 Ca 0.70 -0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 54.12 3krz s LEU 8 Cb -0.25 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 3krz s LEU 8 CO 0.49 -0.15 0.28 -0.75 -1.32 0.00 0.00 176.35 174.90 3krz s LYS 9 N 1.75 4.15 -0.18 1.98 2.20 -1.26 -0.50 119.74 127.89 3krz s LYS 9 Ca 0.04 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 3krz s LYS 9 Cb -0.13 -3.51 0.04 0.00 -1.51 0.00 0.00 37.83 32.72 3krz s LYS 9 CO -0.08 0.07 -0.08 0.42 -0.36 0.00 0.00 175.35 175.32 3krz s ILE 10 N 1.02 1.33 0.00 5.43 1.01 0.52 -4.99 121.20 125.51 3krz s ILE 10 Ca 0.14 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3krz s ILE 10 Cb -0.14 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.88 3krz s ILE 10 CO 0.05 0.17 0.00 0.29 0.00 0.00 0.00 174.94 175.45 3krz n LYS 11 N 4.80 0.00 -0.17 2.79 4.76 -1.26 -1.21 118.16 127.87 3krz n LYS 11 Ca -0.13 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.36 3krz n LYS 11 Cb 0.47 0.00 0.16 0.00 -1.84 0.00 0.00 35.03 33.82 3krz n LYS 11 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3krz n ASP 12 N 3.56 1.84 -4.53 4.39 9.92 -0.76 -4.86 116.55 126.10 3krz n ASP 12 Ca 0.00 -1.99 -0.34 0.00 -0.53 0.00 0.00 54.79 51.92 3krz n ASP 12 Cb 0.00 -0.23 -0.11 0.00 -0.64 0.00 0.00 41.12 40.14 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 -1.54 4.20 -0.25 0.53 -1.09 -0.35 -5.07 121.20 117.63 3krz s ILE 13 Ca 0.23 -0.24 -0.05 0.00 -2.23 0.00 0.00 60.65 58.36 3krz s ILE 13 Cb 0.12 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 38.13 3krz s ILE 13 CO 0.16 0.46 0.00 -0.89 -1.23 0.00 0.00 174.94 173.45 3krz s THR 14 N 0.53 3.57 -0.06 2.92 2.01 -1.26 -0.36 115.64 122.98 3krz s THR 14 Ca -0.01 -0.62 -0.23 0.00 0.31 0.00 0.00 61.69 61.15 3krz s THR 14 Cb -0.14 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 3krz s THR 14 CO 0.02 0.26 0.67 -0.63 -0.69 0.00 0.00 174.62 174.25 3krz s ILE 15 N 1.47 5.04 -0.62 1.82 1.01 0.35 -4.92 121.20 125.35 3krz s ILE 15 Ca 0.04 1.38 0.25 0.00 0.00 0.00 0.00 60.65 62.32 3krz s ILE 15 Cb -0.16 -4.01 0.27 0.00 0.01 0.00 0.00 42.46 38.57 3krz s ILE 15 CO -0.01 0.28 1.75 2.29 0.00 0.00 0.00 174.94 179.25 3krz n LYS 16 N 3.63 0.24 -3.15 2.79 2.85 -1.26 -0.63 118.16 122.63 3krz n LYS 16 Ca -0.02 0.31 -0.08 0.00 -1.05 0.00 0.00 58.31 57.46 3krz n LYS 16 Cb 0.51 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 3krz n LYS 16 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3krz n ASN 17 N -2.26 -1.39 -1.61 -5.58 0.23 -1.26 -3.72 115.26 99.66 3krz n ASN 17 Ca 0.04 -2.26 0.09 0.00 -0.53 0.00 0.00 54.58 51.92 3krz n ASN 17 Cb 0.34 2.40 0.36 0.00 -2.08 0.00 0.00 39.78 40.81 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 -0.40 3.99 -3.74 -3.83 5.12 0.16 -4.61 116.66 113.35 3krz n ARG 18 Ca -0.04 -2.95 -0.37 0.00 -1.93 0.00 0.00 57.85 52.57 3krz n ARG 18 Cb 0.43 -1.98 -0.11 0.00 -1.16 0.00 0.00 32.46 29.64 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 -2.12 4.87 -0.09 0.55 -1.09 -1.26 -1.05 121.20 121.01 3krz s ILE 19 Ca 0.51 0.01 -0.00 0.00 -2.23 0.00 0.00 60.65 58.94 3krz s ILE 19 Cb 0.35 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 3krz s ILE 19 CO 0.21 0.34 -0.07 -0.32 -1.23 0.00 0.00 174.94 173.87 3krz s MET 20 N 1.33 3.00 -0.32 2.79 -2.45 -0.55 -1.81 119.30 121.29 3krz s MET 20 Ca 0.06 -0.55 -0.29 0.00 -1.25 0.00 0.00 55.69 53.66 3krz s MET 20 Cb -0.15 -2.67 0.02 0.00 1.25 0.00 0.00 34.83 33.28 3krz s MET 20 CO 0.05 0.54 1.09 1.41 1.05 0.00 0.00 175.02 179.16 3krz s MET 21 N -0.46 4.06 0.42 4.11 1.75 0.32 -1.01 119.30 128.47 3krz s MET 21 Ca 0.07 1.08 -0.26 0.00 -1.25 0.00 0.00 55.69 55.33 3krz s MET 21 Cb -0.12 -3.75 -0.09 0.00 2.84 0.00 0.00 34.83 33.72 3krz s MET 21 CO 0.02 -0.92 1.35 0.45 -0.65 0.00 0.00 175.02 175.27 3krz s SER 22 N 1.72 6.16 0.21 1.11 0.15 -0.23 -2.08 113.70 120.74 3krz s SER 22 Ca 0.46 2.75 -0.32 0.00 0.70 0.00 0.00 55.95 59.55 3krz s SER 22 Cb -0.12 -2.64 -0.12 0.00 -1.71 0.00 0.00 66.02 61.43 3krz s SER 22 CO 0.16 -0.96 1.69 -2.16 1.20 0.00 0.00 173.24 173.16 3krz s PRO 23 N -2.31 4.14 -0.15 5.44 0.04 -1.23 -4.79 135.00 136.13 3krz s PRO 23 Ca 0.58 2.56 -0.04 0.00 0.04 0.00 0.00 61.00 64.15 3krz s PRO 23 Cb -0.40 -3.08 0.05 0.00 0.04 0.00 0.00 34.50 31.11 3krz s PRO 23 CO 0.52 -0.72 0.07 -1.64 0.04 0.00 0.00 177.00 175.26 3krz s MET 24 N 1.03 0.23 0.22 4.56 -1.94 -1.26 -4.85 119.30 117.28 3krz s MET 24 Ca 0.73 -0.08 -0.32 0.00 -1.71 0.00 0.00 55.69 54.31 3krz s MET 24 Cb -0.49 -1.63 -0.14 0.00 2.01 0.00 0.00 34.83 34.59 3krz s MET 24 CO 0.33 -0.58 1.39 0.00 -0.01 0.00 0.00 175.02 176.15 3krz n MET 26 N 2.15 2.07 -4.11 0.00 2.81 -1.26 -5.00 117.12 113.78 3krz n MET 26 Ca 0.13 -0.52 -0.33 0.00 -1.81 0.00 0.00 57.70 55.17 3krz n MET 26 Cb 0.30 -1.18 -0.02 0.00 -0.71 0.00 0.00 33.22 31.61 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 -0.51 -1.83 -0.18 2.03 4.01 -1.26 -4.83 117.16 114.59 3krz n TYR 27 Ca 0.05 0.81 0.00 0.00 -0.16 0.00 0.00 57.90 58.60 3krz n TYR 27 Cb 0.27 -3.32 0.00 0.00 -0.31 0.00 0.00 39.34 35.98 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 -2.76 0.94 -4.86 7.72 7.64 -1.05 -4.87 113.62 116.38 3krz n SER 28 Ca -0.02 -1.11 -0.30 0.00 1.01 0.00 0.00 58.87 58.44 3krz n SER 28 Cb 0.54 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.11 2.87 0.99 -0.43 0.00 -0.14 -4.82 121.76 120.12 3krz s ALA 29 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 3krz s ALA 29 Cb 0.00 -3.07 0.18 0.00 0.00 0.00 0.00 23.12 20.23 3krz s ALA 29 CO 0.00 -1.06 1.08 -1.54 0.00 0.00 0.00 175.76 174.25 3krz s SER 30 N -4.19 2.64 0.35 0.00 1.04 -1.20 -4.43 113.70 107.90 3krz s SER 30 Ca 0.57 1.40 0.25 0.00 0.48 0.00 0.00 55.95 58.66 3krz s SER 30 Cb -0.12 -2.08 1.24 0.00 0.10 0.00 0.00 66.02 65.16 3krz s SER 30 CO 0.53 -3.15 1.76 0.71 0.98 0.00 0.00 173.24 174.07 3krz h THR 31 N -1.90 0.00 -0.04 2.02 1.35 -1.92 -0.41 112.91 112.01 3krz h THR 31 Ca -0.53 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3krz h THR 31 Cb 1.31 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3krz h THR 31 CO 0.54 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.28 3krz n ASP 32 N -2.38 0.87 -0.23 5.36 8.00 -1.26 -4.94 116.55 121.98 3krz n ASP 32 Ca -0.00 -1.38 -0.03 0.00 0.71 0.00 0.00 54.79 54.08 3krz n ASP 32 Cb 0.11 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 3krz n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3krz n GLY 33 N 1.06 0.61 3.78 0.44 0.00 -0.16 -4.83 105.19 106.09 3krz n GLY 33 Ca 0.19 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.82 4.29 0.83 1.61 -1.94 -1.26 -1.55 119.30 119.45 3krz s MET 34 Ca 0.00 0.75 -0.12 0.00 -1.71 0.00 0.00 55.69 54.62 3krz s MET 34 Cb 0.00 -3.31 0.09 0.00 2.01 0.00 0.00 34.83 33.62 3krz s MET 34 CO 0.00 0.46 1.10 -1.25 -0.01 0.00 0.00 175.02 175.32 3krz s PRO 35 N -0.52 1.81 0.04 2.03 0.04 -1.26 -3.24 135.00 133.90 3krz s PRO 35 Ca 0.31 0.67 0.01 0.00 0.04 0.00 0.00 61.00 62.03 3krz s PRO 35 Cb -0.19 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 3krz s PRO 35 CO 0.18 -1.82 0.03 0.27 0.04 0.00 0.00 177.00 175.70 3krz n ASN 36 N -3.57 0.19 0.29 6.66 0.23 -1.26 -4.96 115.26 112.83 3krz n ASN 36 Ca 0.07 -1.23 0.14 0.00 -0.53 0.00 0.00 54.58 53.03 3krz n ASN 36 Cb 0.56 0.16 0.88 0.00 -2.08 0.00 0.00 39.78 39.30 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 0.21 0.00 -0.32 0.53 3.32 -1.98 -1.39 116.42 116.78 3krz h ASP 37 Ca -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3krz h ASP 37 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3krz h ASP 37 CO 0.04 0.00 0.19 -0.25 -1.72 0.00 0.00 179.24 177.50 3krz h TRP 38 N 0.00 0.43 -0.66 4.55 7.01 -1.96 -1.76 115.95 123.56 3krz h TRP 38 Ca 0.00 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 3krz h TRP 38 Cb 0.03 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 3krz h TRP 38 CO 0.00 0.33 0.29 0.45 -2.79 0.00 0.00 178.44 176.71 3krz h HIS 39 N 0.41 0.99 -0.05 2.65 3.86 -1.65 -1.23 115.15 120.13 3krz h HIS 39 Ca 0.12 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3krz h HIS 39 Cb 0.03 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 3krz h HIS 39 CO -0.04 0.76 0.03 0.82 0.86 0.00 0.00 177.93 180.36 3krz h ILE 40 N 0.93 1.06 -0.57 2.45 2.04 -1.18 -1.64 117.51 120.59 3krz h ILE 40 Ca 0.22 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3krz h ILE 40 Cb 0.17 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3krz h ILE 40 CO -0.02 0.05 0.23 0.58 0.00 0.00 0.00 178.15 178.98 3krz h VAL 41 N 0.01 1.23 -0.13 1.67 2.07 -1.27 -1.38 116.25 118.45 3krz h VAL 41 Ca 0.02 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.87 3krz h VAL 41 Cb 0.05 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3krz h VAL 41 CO -0.00 0.27 -0.11 -0.74 0.02 0.00 0.00 177.57 177.01 3krz h HIS 42 N 0.79 -0.27 0.00 1.57 -0.00 -0.92 0.14 115.15 116.46 3krz h HIS 42 Ca 0.19 0.02 -0.24 0.00 -0.00 0.00 0.00 60.37 60.34 3krz h HIS 42 Cb 0.21 0.14 0.02 0.00 -0.00 0.00 0.00 27.41 27.77 3krz h HIS 42 CO 0.01 -0.16 -0.93 1.88 -0.00 0.00 0.00 177.93 178.73 3krz h TYR 43 N -0.12 0.93 -0.93 5.26 0.05 -1.30 -3.24 116.97 117.61 3krz h TYR 43 Ca 0.08 -0.51 0.10 0.00 0.05 0.00 0.00 58.73 58.46 3krz h TYR 43 Cb 0.25 -0.10 -0.08 0.00 1.01 0.00 0.00 36.73 37.81 3krz h TYR 43 CO -0.23 1.34 0.57 0.00 -1.05 0.00 0.00 178.16 178.79 3krz h ALA 44 N 0.37 1.36 -0.85 3.88 0.00 -1.02 -2.13 119.26 120.87 3krz h ALA 44 Ca -0.12 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3krz h ALA 44 Cb 1.60 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 3krz h ALA 44 CO 0.18 0.20 0.50 1.15 0.00 0.00 0.00 179.25 181.29 3krz h THR 45 N 0.94 0.93 0.00 0.00 2.02 -1.00 -0.11 112.91 115.69 3krz h THR 45 Ca 0.45 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 3krz h THR 45 Cb 0.39 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3krz h THR 45 CO -0.25 0.15 -0.52 0.03 0.37 0.00 0.00 175.52 175.31 3krz h ARG 46 N 0.84 0.00 -0.10 6.66 -0.00 -1.48 -0.29 114.38 120.00 3krz h ARG 46 Ca 0.41 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.86 3krz h ARG 46 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.33 3krz h ARG 46 CO -0.24 0.52 -0.04 0.00 0.00 0.00 0.00 179.97 180.21 3krz h ALA 47 N 1.48 0.14 -0.43 0.04 0.00 -0.80 -1.94 119.26 117.74 3krz h ALA 47 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3krz h ALA 47 Cb 1.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3krz h ALA 47 CO 0.07 -0.11 0.29 0.82 0.00 0.00 0.00 179.25 180.32 3krz h ILE 48 N -0.15 1.05 0.00 0.00 2.04 -0.99 -1.80 117.51 117.66 3krz h ILE 48 Ca 0.02 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3krz h ILE 48 Cb 0.47 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3krz h ILE 48 CO 0.01 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.86 3krz n GLY 49 N -1.49 -0.53 1.03 5.37 0.00 -0.13 -4.80 105.19 104.65 3krz n GLY 49 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.04 0.76 3.73 -0.02 0.00 -0.68 -2.82 105.19 106.21 3krz n GLY 50 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.23 2.12 0.06 1.61 1.01 -0.76 -4.91 120.40 117.30 3krz s VAL 51 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 3krz s VAL 51 Cb 0.00 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.21 3krz s VAL 51 CO 0.00 0.01 1.41 1.23 0.00 0.00 0.00 175.10 177.75 3krz h GLY 52 N 5.91 0.47 -7.05 4.51 0.00 -1.65 -3.41 103.07 101.85 3krz h GLY 52 Ca -0.45 -0.44 -0.45 0.00 0.00 0.00 0.00 47.33 46.00 3krz h GLY 52 CO 0.88 0.40 -0.77 -2.27 0.00 0.00 0.00 176.54 174.78 3krz s LEU 53 N -9.20 0.64 -0.34 3.11 0.20 -0.95 -1.16 118.68 110.99 3krz s LEU 53 Ca -0.14 -0.17 -0.13 0.00 0.69 0.00 0.00 54.13 54.38 3krz s LEU 53 Cb 0.06 -0.45 -0.02 0.00 -0.43 0.00 0.00 46.19 45.35 3krz s LEU 53 CO 0.76 -0.21 0.27 -0.63 -0.29 0.00 0.00 176.35 176.26 3krz s ILE 54 N 1.96 5.26 -0.41 6.68 1.01 0.26 -0.52 121.20 135.44 3krz s ILE 54 Ca 0.04 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 3krz s ILE 54 Cb -0.13 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.61 3krz s ILE 54 CO -0.06 -0.03 0.47 -0.32 0.00 0.00 0.00 174.94 175.00 3krz s MET 55 N 1.80 3.23 0.42 2.79 1.75 -0.88 -0.26 119.30 128.15 3krz s MET 55 Ca 0.07 -0.60 -0.26 0.00 -1.25 0.00 0.00 55.69 53.66 3krz s MET 55 Cb -0.17 -3.93 -0.09 0.00 2.84 0.00 0.00 34.83 33.48 3krz s MET 55 CO 0.11 -0.82 1.42 -1.14 -0.65 0.00 0.00 175.02 173.94 3krz s GLN 56 N 2.25 3.84 0.94 4.11 0.74 -0.18 -3.58 119.66 127.78 3krz s GLN 56 Ca 0.14 2.41 -0.15 0.00 0.05 0.00 0.00 55.36 57.81 3krz s GLN 56 Cb -0.16 -2.75 -0.07 0.00 1.10 0.00 0.00 33.01 31.13 3krz s GLN 56 CO 0.14 -0.69 -0.18 -0.85 -0.55 0.00 0.00 175.29 173.16 3krz n GLU 57 N 0.02 -0.09 -1.70 1.67 0.28 -1.26 -2.69 120.64 116.86 3krz n GLU 57 Ca 0.04 -0.01 -0.57 0.00 -0.16 0.00 0.00 57.16 56.46 3krz n GLU 57 Cb 0.41 -1.41 -0.07 0.00 1.43 0.00 0.00 31.44 31.80 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 -2.89 -0.32 -4.10 -1.84 0.00 -1.26 -4.30 120.51 105.80 3krz n ALA 58 Ca 0.03 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.55 3krz n ALA 58 Cb 0.54 -2.20 -0.16 0.00 0.00 0.00 0.00 19.45 17.64 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 3.21 2.08 0.19 0.00 2.01 0.22 -4.43 115.64 118.92 3krz s THR 59 Ca 0.97 -1.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 3krz s THR 59 Cb -1.07 -2.00 -0.08 0.00 0.01 0.00 0.00 72.50 69.35 3krz s THR 59 CO 0.64 0.32 1.22 0.00 -0.69 0.00 0.00 174.62 176.10 3krz s ALA 60 N 1.23 3.45 -0.98 7.40 0.00 -0.41 -1.55 121.76 130.89 3krz s ALA 60 Ca -0.00 0.98 0.29 0.00 0.00 0.00 0.00 51.96 53.22 3krz s ALA 60 Cb -0.16 -3.42 1.17 0.00 0.00 0.00 0.00 23.12 20.71 3krz s ALA 60 CO -0.10 -0.40 1.89 1.33 0.00 0.00 0.00 175.76 178.48 3krz n VAL 61 N 2.46 0.03 -3.44 0.00 0.24 -0.60 -1.35 118.33 115.66 3krz n VAL 61 Ca 0.04 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.34 62.21 3krz n VAL 61 Cb 0.44 -0.46 -0.02 0.00 -1.47 0.00 0.00 33.84 32.34 3krz n VAL 61 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3krz s GLU 62 N -3.01 1.17 0.37 7.34 -1.05 -1.26 -4.45 118.70 117.81 3krz s GLU 62 Ca 0.14 -0.40 0.05 0.00 -0.15 0.00 0.00 54.97 54.61 3krz s GLU 62 Cb 0.19 0.54 0.72 0.00 -0.44 0.00 0.00 34.13 35.13 3krz s GLU 62 CO 0.55 -0.50 1.97 0.66 0.95 0.00 0.00 175.26 178.88 3krz h SER 63 N 2.05 0.50 0.43 0.83 4.64 -1.99 0.86 113.55 120.86 3krz h SER 63 Ca -0.31 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3krz h SER 63 Cb 1.29 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3krz h SER 63 CO 0.36 0.46 0.00 -2.11 -0.87 0.00 0.00 176.83 174.68 3krz n ARG 64 N -4.38 0.41 0.00 4.77 1.85 -1.26 -2.31 116.66 115.75 3krz n ARG 64 Ca 0.03 0.04 0.13 0.00 -1.00 0.00 0.00 57.85 57.05 3krz n ARG 64 Cb 0.15 -1.50 0.41 0.00 -1.05 0.00 0.00 32.46 30.47 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 0.85 0.21 3.79 2.89 0.00 0.29 -4.56 105.19 108.67 3krz n GLY 65 Ca 0.13 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.03 3.48 -0.12 1.61 0.52 -0.98 -0.39 118.95 121.04 3krz s ARG 66 Ca 0.35 1.38 -0.27 0.00 -0.52 0.00 0.00 55.73 56.67 3krz s ARG 66 Cb 0.21 -2.04 -0.24 0.00 0.52 0.00 0.00 34.95 33.39 3krz s ARG 66 CO 0.34 -0.70 0.79 0.82 0.02 0.00 0.00 175.30 176.57 3krz h ILE 67 N 1.04 1.66 -3.00 1.52 2.04 -1.91 -3.39 117.51 115.47 3krz h ILE 67 Ca -0.49 -2.13 -0.43 0.00 1.00 0.00 0.00 64.86 62.81 3krz h ILE 67 Cb 1.23 3.08 -0.14 0.00 -0.74 0.00 0.00 36.82 40.25 3krz h ILE 67 CO 0.58 0.54 -0.66 0.42 0.00 0.00 0.00 178.15 179.02 3krz s THR 68 N -2.44 1.31 -1.43 -0.27 -4.23 -1.26 -0.78 115.64 106.54 3krz s THR 68 Ca -0.18 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.29 3krz s THR 68 Cb -0.02 -2.39 0.11 0.00 1.34 0.00 0.00 72.50 71.54 3krz s THR 68 CO 0.65 -0.31 0.88 -0.90 -0.54 0.00 0.00 174.62 174.40 3krz n ASP 69 N -0.50 1.18 -0.56 3.99 5.68 -1.26 -2.31 116.55 122.78 3krz n ASP 69 Ca -0.05 -2.07 0.08 0.00 -0.50 0.00 0.00 54.79 52.24 3krz n ASP 69 Cb 0.64 -0.31 0.20 0.00 -1.14 0.00 0.00 41.12 40.51 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 -0.03 0.52 -2.79 2.11 8.25 -1.26 -3.26 115.22 118.75 3krz n HIS 70 Ca 0.04 -1.02 -0.31 0.00 -0.26 0.00 0.00 57.72 56.17 3krz n HIS 70 Cb 0.25 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 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 -2.45 6.60 0.53 0.41 1.11 -0.98 -0.97 116.67 120.93 3krz s ASP 71 Ca 0.38 1.28 -0.20 0.00 0.18 0.00 0.00 52.55 54.18 3krz s ASP 71 Cb 0.32 -2.38 -0.06 0.00 1.07 0.00 0.00 42.92 41.87 3krz s ASP 71 CO 0.05 -0.41 1.16 -0.76 1.18 0.00 0.00 175.17 176.38 3krz s LEU 72 N -3.74 3.82 0.15 1.23 1.43 -1.26 -4.22 118.68 116.09 3krz s LEU 72 Ca 0.54 2.26 0.04 0.00 -1.03 0.00 0.00 54.13 55.93 3krz s LEU 72 Cb -0.10 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 3krz s LEU 72 CO 0.28 -1.19 -0.08 -0.83 0.23 0.00 0.00 176.35 174.77 3krz s GLY 73 N -1.61 1.10 -0.28 -3.19 0.00 -0.60 -1.29 107.32 101.45 3krz s GLY 73 Ca 0.71 -1.51 0.21 0.00 0.00 0.00 0.00 44.72 44.12 3krz s GLY 73 CO 0.30 -1.58 1.07 4.51 0.00 0.00 0.00 173.10 177.40 3krz n ILE 74 N -0.21 1.25 1.17 0.90 3.06 -0.46 -4.82 119.36 120.26 3krz n ILE 74 Ca -0.10 -3.04 0.12 0.00 -2.50 0.00 0.00 62.75 57.24 3krz n ILE 74 Cb 0.61 1.00 0.24 0.00 0.54 0.00 0.00 39.64 42.03 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 -0.45 0.00 -4.13 9.51 2.14 -1.26 -4.55 117.44 118.70 3krz n TRP 75 Ca 0.09 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.52 3krz n TRP 75 Cb 0.81 -0.06 -0.06 0.00 -0.81 0.00 0.00 31.31 31.19 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 -2.40 0.83 0.31 -0.67 2.20 -1.26 -5.05 114.94 108.89 3krz s ASN 76 Ca 0.24 -1.46 0.18 0.00 -0.94 0.00 0.00 52.86 50.89 3krz s ASN 76 Cb 0.19 0.59 0.13 0.00 -2.00 0.00 0.00 41.25 40.16 3krz s ASN 76 CO 0.50 -1.16 1.41 0.44 -2.94 0.00 0.00 177.10 175.35 3krz h ASP 77 N 2.21 0.00 -0.65 3.54 3.32 -2.00 -3.12 116.42 119.72 3krz h ASP 77 Ca -0.28 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 3krz h ASP 77 Cb 1.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 3krz h ASP 77 CO 0.40 0.30 0.18 -0.08 -1.72 0.00 0.00 179.24 178.32 3krz h GLU 78 N 0.00 1.04 -0.72 3.56 4.81 -2.00 -2.49 114.58 118.77 3krz h GLU 78 Ca -0.02 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3krz h GLU 78 Cb 1.25 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3krz h GLU 78 CO 0.04 0.92 0.41 1.96 -0.73 0.00 0.00 179.01 181.61 3krz h GLN 79 N 0.96 1.00 -0.67 1.92 4.20 -1.87 -2.99 115.11 117.66 3krz h GLN 79 Ca 0.21 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.87 3krz h GLN 79 Cb 0.34 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 3krz h GLN 79 CO -0.00 0.73 0.37 0.28 -0.67 0.00 0.00 178.83 179.54 3krz h VAL 80 N 0.99 0.97 -0.71 -0.54 2.07 -1.43 0.51 116.25 118.11 3krz h VAL 80 Ca 0.26 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3krz h VAL 80 Cb 0.01 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3krz h VAL 80 CO -0.04 0.13 0.33 0.50 0.02 0.00 0.00 177.57 178.50 3krz h LYS 81 N 0.69 1.02 0.20 1.57 3.11 -1.31 -0.61 116.57 121.23 3krz h LYS 81 Ca 0.30 -0.14 -0.31 0.00 -2.81 0.00 0.00 60.65 57.69 3krz h LYS 81 Cb 0.18 -0.19 0.03 0.00 -1.00 0.00 0.00 32.23 31.26 3krz h LYS 81 CO -0.18 0.79 -1.33 0.93 -2.81 0.00 0.00 179.45 176.85 3krz h GLU 82 N 1.01 0.55 -0.24 1.90 4.39 -1.33 -3.26 114.58 117.59 3krz h GLU 82 Ca 0.25 -0.86 -0.02 0.00 0.34 0.00 0.00 59.36 59.07 3krz h GLU 82 Cb 0.11 0.31 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3krz h GLU 82 CO -0.03 1.40 0.07 -0.07 -1.16 0.00 0.00 179.01 179.22 3krz h LEU 83 N 0.13 0.31 -1.82 1.33 3.38 -0.74 -2.14 115.31 115.77 3krz h LEU 83 Ca -0.22 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.81 3krz h LEU 83 Cb 2.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.67 3krz h LEU 83 CO 0.25 0.31 0.32 0.50 0.09 0.00 0.00 178.44 179.91 3krz h LYS 84 N 0.34 0.21 -0.72 1.13 3.64 -1.15 -1.37 116.57 118.65 3krz h LYS 84 Ca 0.09 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3krz h LYS 84 Cb 0.12 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3krz h LYS 84 CO -0.01 0.14 0.26 0.87 -2.27 0.00 0.00 179.45 178.44 3krz h LYS 85 N 0.21 1.09 0.12 1.90 1.57 -1.50 -0.61 116.57 119.36 3krz h LYS 85 Ca 0.21 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3krz h LYS 85 Cb 0.57 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3krz h LYS 85 CO -0.04 0.91 -0.06 0.82 -0.57 0.00 0.00 179.45 180.52 3krz h ILE 86 N 1.04 0.98 -0.46 1.86 2.04 -1.37 -2.76 117.51 118.85 3krz h ILE 86 Ca 0.24 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.74 3krz h ILE 86 Cb 0.25 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3krz h ILE 86 CO -0.01 0.10 0.12 0.58 0.00 0.00 0.00 178.15 178.93 3krz h VAL 87 N -0.36 0.78 -0.29 1.67 2.07 -1.20 -1.94 116.25 116.98 3krz h VAL 87 Ca -0.02 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3krz h VAL 87 Cb 0.29 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3krz h VAL 87 CO 0.03 0.05 0.12 0.44 0.02 0.00 0.00 177.57 178.22 3krz h ASP 88 N 0.26 0.40 -0.48 0.57 3.32 -1.08 -1.43 116.42 117.97 3krz h ASP 88 Ca 0.22 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 3krz h ASP 88 Cb 0.27 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3krz h ASP 88 CO -0.27 0.45 -0.22 -0.29 -1.72 0.00 0.00 179.24 177.19 3krz h ILE 89 N 0.31 1.27 -0.40 0.35 2.10 -1.36 -0.56 117.51 119.23 3krz h ILE 89 Ca 0.10 -1.39 -0.03 0.00 1.08 0.00 0.00 64.86 64.62 3krz h ILE 89 Cb 0.18 1.12 -0.02 0.00 -1.09 0.00 0.00 36.82 37.02 3krz h ILE 89 CO -0.01 0.48 0.14 0.00 -1.08 0.00 0.00 178.15 177.68 3krz h LYS 91 N 0.50 0.76 -0.66 0.00 1.57 -1.20 -2.02 116.57 115.52 3krz h LYS 91 Ca 0.13 -0.34 0.09 0.00 -1.87 0.00 0.00 60.65 58.67 3krz h LYS 91 Cb 0.22 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3krz h LYS 91 CO -0.01 0.95 0.44 0.00 -0.57 0.00 0.00 179.45 180.26 3krz h ALA 92 N 1.03 1.91 -0.51 3.86 0.00 -1.03 -2.03 119.26 122.48 3krz h ALA 92 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3krz h ALA 92 Cb 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3krz h ALA 92 CO 0.07 -0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3krz n ASN 93 N -4.48 3.58 0.00 0.00 4.13 -0.84 -4.94 115.26 112.71 3krz n ASN 93 Ca 0.11 -2.26 0.00 0.00 1.68 0.00 0.00 54.58 54.11 3krz n ASN 93 Cb 0.34 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 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 1.05 0.83 3.91 7.41 0.00 -0.76 -4.37 105.19 113.26 3krz n GLY 94 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.03 3.89 0.13 4.61 0.00 -0.80 -4.90 121.76 122.66 3krz s ALA 95 Ca 0.00 -0.70 -0.28 0.00 0.00 0.00 0.00 51.96 50.98 3krz s ALA 95 Cb 0.00 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.07 3krz s ALA 95 CO 0.00 0.73 0.88 0.08 0.00 0.00 0.00 175.76 177.46 3krz s VAL 96 N -1.60 4.46 -0.21 0.00 1.01 -0.31 -3.99 120.40 119.77 3krz s VAL 96 Ca 0.38 1.92 -0.04 0.00 0.00 0.00 0.00 61.98 64.23 3krz s VAL 96 Cb -0.12 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 3krz s VAL 96 CO 0.26 0.39 -0.02 -0.32 0.00 0.00 0.00 175.10 175.42 3krz s MET 97 N -0.40 3.51 0.26 2.72 1.75 -1.26 -0.57 119.30 125.31 3krz s MET 97 Ca 0.42 -0.57 0.10 0.00 -1.25 0.00 0.00 55.69 54.39 3krz s MET 97 Cb -0.23 -3.04 -0.04 0.00 2.84 0.00 0.00 34.83 34.35 3krz s MET 97 CO 0.28 -0.07 -0.07 0.20 -0.65 0.00 0.00 175.02 174.70 3krz s GLY 98 N 1.20 1.73 -0.05 2.11 0.00 0.64 -0.34 107.32 112.61 3krz s GLY 98 Ca 0.03 -1.70 0.03 0.00 0.00 0.00 0.00 44.72 43.08 3krz s GLY 98 CO 0.00 -1.77 -0.12 -1.50 0.00 0.00 0.00 173.10 169.72 3krz s ILE 99 N -2.30 1.06 -0.44 0.90 2.07 -0.72 -1.01 121.20 120.76 3krz s ILE 99 Ca 0.30 -0.47 -0.20 0.00 -1.41 0.00 0.00 60.65 58.87 3krz s ILE 99 Cb -0.06 -0.96 0.02 0.00 0.13 0.00 0.00 42.46 41.60 3krz s ILE 99 CO 0.18 0.33 0.62 -1.58 -1.91 0.00 0.00 174.94 172.58 3krz s GLN 100 N 0.43 3.26 -0.01 3.50 0.74 -1.10 -0.48 119.66 126.00 3krz s GLN 100 Ca -0.09 -0.41 -0.30 0.00 0.05 0.00 0.00 55.36 54.61 3krz s GLN 100 Cb -0.13 -3.95 -0.03 0.00 1.10 0.00 0.00 33.01 30.00 3krz s GLN 100 CO 0.02 -1.00 0.97 -0.51 -0.55 0.00 0.00 175.29 174.23 3krz s LEU 101 N 2.76 4.36 0.07 3.68 1.43 0.76 -0.61 118.68 131.14 3krz s LEU 101 Ca 0.22 1.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 3krz s LEU 101 Cb -0.14 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 3krz s LEU 101 CO 0.18 -0.27 -0.06 0.00 0.23 0.00 0.00 176.35 176.44 3krz s ALA 102 N 1.07 0.76 -0.21 4.21 0.00 -0.60 -1.30 121.76 125.68 3krz s ALA 102 Ca 0.51 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 3krz s ALA 102 Cb -0.21 0.17 0.11 0.00 0.00 0.00 0.00 23.12 23.19 3krz s ALA 102 CO 0.27 -0.24 0.38 -1.58 0.00 0.00 0.00 175.76 174.59 3krz s HIS 103 N -3.29 -0.76 -0.19 0.00 2.46 -1.26 -1.56 115.29 110.69 3krz s HIS 103 Ca 0.06 1.16 0.29 0.00 0.47 0.00 0.00 55.06 57.04 3krz s HIS 103 Cb 0.03 0.14 1.11 0.00 -0.13 0.00 0.00 32.58 33.73 3krz s HIS 103 CO -0.05 -0.57 1.85 0.00 -2.47 0.00 0.00 174.74 173.50 3krz h ALA 104 N 8.19 1.00 -0.57 1.58 0.00 -0.97 -0.55 119.26 127.94 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 0.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3krz n GLY 105 N 0.21 3.19 0.00 0.00 0.00 -1.26 -1.37 105.19 105.96 3krz n GLY 105 Ca 0.02 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -0.22 1.61 1.85 -0.93 -1.71 116.66 131.26 3krz n ARG 106 Ca 0.00 0.15 0.09 0.00 -1.00 0.00 0.00 57.85 57.09 3krz n ARG 106 Cb 0.00 -1.50 0.25 0.00 -1.05 0.00 0.00 32.46 30.16 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 -1.50 2.15 -1.68 2.89 5.02 -0.47 -4.66 118.16 119.91 3krz n LYS 107 Ca 0.05 -1.77 -0.45 0.00 -2.02 0.00 0.00 58.31 54.13 3krz n LYS 107 Cb 0.24 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 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 6.20 3.32 -4.59 0.00 5.15 0.04 -4.77 115.26 120.60 3krz n ASN 109 Ca 0.20 -3.59 -0.38 0.00 -0.60 0.00 0.00 54.58 50.21 3krz n ASN 109 Cb 0.35 -0.71 -0.11 0.00 -0.53 0.00 0.00 39.78 38.78 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 -3.20 5.28 0.50 -1.44 1.01 -1.25 -4.88 121.20 117.23 3krz s ILE 110 Ca 0.50 0.24 0.16 0.00 0.00 0.00 0.00 60.65 61.55 3krz s ILE 110 Cb 0.43 -3.57 0.30 0.00 0.01 0.00 0.00 42.46 39.63 3krz s ILE 110 CO 0.06 0.23 2.10 0.77 0.00 0.00 0.00 174.94 178.09 3krz h SER 111 N 8.33 0.09 -0.03 3.58 4.64 -1.96 -2.45 113.55 125.76 3krz h SER 111 Ca -0.34 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3krz h SER 111 Cb 1.18 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3krz h SER 111 CO 0.57 0.06 -0.04 0.00 -0.87 0.00 0.00 176.83 176.56 3krz n TYR 112 N -4.50 0.00 -1.93 4.77 0.18 -1.26 -5.00 117.16 109.42 3krz n TYR 112 Ca 0.01 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.48 3krz n TYR 112 Cb 0.21 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.17 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 -1.81 3.60 -0.94 -3.48 0.41 -0.93 -5.00 118.70 110.56 3krz s GLU 113 Ca 0.24 0.80 -0.22 0.00 -0.41 0.00 0.00 54.97 55.39 3krz s GLU 113 Cb 0.17 -2.08 0.08 0.00 -1.78 0.00 0.00 34.13 30.53 3krz s GLU 113 CO 0.29 -0.57 1.28 0.34 -0.49 0.00 0.00 175.26 176.11 3krz s ASP 114 N -3.96 6.50 -0.04 -0.19 2.15 -1.26 -5.00 116.67 114.88 3krz s ASP 114 Ca 0.56 -1.59 -0.29 0.00 0.43 0.00 0.00 52.55 51.66 3krz s ASP 114 Cb -0.11 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 39.99 3krz s ASP 114 CO 0.50 -1.35 0.96 -0.69 -0.17 0.00 0.00 175.17 174.42 3krz s VAL 115 N 4.06 4.86 0.20 1.11 1.01 -1.26 -4.87 120.40 125.52 3krz s VAL 115 Ca 0.38 1.98 0.08 0.00 0.00 0.00 0.00 61.98 64.42 3krz s VAL 115 Cb -0.04 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 3krz s VAL 115 CO -0.07 0.12 -0.15 0.68 0.00 0.00 0.00 175.10 175.69 3krz s VAL 116 N 1.30 1.75 0.29 2.92 -7.23 -1.26 -1.79 120.40 116.37 3krz s VAL 116 Ca 0.49 -2.20 -0.19 0.00 -1.81 0.00 0.00 61.98 58.27 3krz s VAL 116 Cb -0.20 -2.03 0.06 0.00 0.56 0.00 0.00 36.38 34.77 3krz s VAL 116 CO 0.24 -0.58 0.89 -0.83 -0.31 0.00 0.00 175.10 174.51 3krz s GLY 117 N -3.28 0.20 0.28 2.32 0.00 -0.72 -2.18 107.32 103.93 3krz s GLY 117 Ca 0.22 -0.50 0.08 0.00 0.00 0.00 0.00 44.72 44.52 3krz s GLY 117 CO 0.07 0.77 1.64 -0.56 0.00 0.00 0.00 173.10 175.02 3krz h PRO 118 N 2.00 0.12 -3.38 2.90 0.13 -1.86 -1.56 132.00 130.36 3krz h PRO 118 Ca -0.29 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 64.62 3krz h PRO 118 Cb 1.24 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.15 3krz h PRO 118 CO 0.37 0.63 -0.46 -1.12 -0.23 0.00 0.00 178.00 177.19 3krz s SER 119 N -6.88 -0.06 -1.29 1.44 0.01 -1.26 -4.44 113.70 101.22 3krz s SER 119 Ca -0.03 -0.01 -0.18 0.00 1.31 0.00 0.00 55.95 57.04 3krz s SER 119 Cb 0.13 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.66 3krz s SER 119 CO 0.77 -0.30 1.84 -0.81 0.41 0.00 0.00 173.24 175.15 3krz n PRO 120 N 1.82 2.86 -3.74 12.44 -0.04 -1.26 -4.77 135.00 142.31 3krz n PRO 120 Ca -0.20 -3.02 -0.14 0.00 -0.04 0.00 0.00 63.50 60.10 3krz n PRO 120 Cb 0.56 -3.49 -0.15 0.00 -0.04 0.00 0.00 33.50 30.39 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 5.15 -0.08 0.51 0.52 1.01 -1.26 -4.91 121.20 122.13 3krz s ILE 121 Ca 0.55 0.22 -0.21 0.00 0.00 0.00 0.00 60.65 61.21 3krz s ILE 121 Cb 0.05 -0.22 -0.06 0.00 0.01 0.00 0.00 42.46 42.24 3krz s ILE 121 CO 0.07 0.09 1.14 -0.54 0.00 0.00 0.00 174.94 175.70 3krz s LYS 122 N 1.33 3.52 0.49 2.79 1.02 -1.26 -4.55 119.74 123.08 3krz s LYS 122 Ca -0.07 1.67 0.30 0.00 0.02 0.00 0.00 55.97 57.89 3krz s LYS 122 Cb -0.12 -2.16 1.07 0.00 -0.52 0.00 0.00 37.83 36.09 3krz s LYS 122 CO -0.05 -0.72 1.86 0.00 -0.92 0.00 0.00 175.35 175.52 3krz h ALA 123 N 1.54 1.00 0.00 5.17 0.00 -1.83 -3.48 119.26 121.66 3krz h ALA 123 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3krz h ALA 123 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3krz h ALA 123 CO 0.58 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.24 3krz n GLY 124 N 0.34 0.89 0.30 0.00 0.00 -1.26 -4.47 105.19 100.99 3krz n GLY 124 Ca 0.02 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.26 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 0.21 -0.02 1.61 3.32 -2.01 -1.70 116.42 117.82 3krz h ASP 125 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3krz h ASP 125 Cb 0.00 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3krz h ASP 125 CO 0.00 -0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 3krz n ARG 126 N -5.08 1.38 -3.09 3.56 3.00 -1.26 -4.89 116.66 110.29 3krz n ARG 126 Ca 0.19 -0.56 -0.23 0.00 -0.01 0.00 0.00 57.85 57.24 3krz n ARG 126 Cb 0.57 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.57 3krz n ARG 126 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3krz s TYR 127 N -1.98 3.33 0.47 -1.55 2.02 -0.64 -5.09 117.35 113.92 3krz s TYR 127 Ca 0.40 0.30 -0.17 0.00 -0.37 0.00 0.00 57.07 57.23 3krz s TYR 127 Cb 0.20 -2.18 -0.09 0.00 -0.40 0.00 0.00 41.96 39.50 3krz s TYR 127 CO 0.33 -0.20 0.95 0.15 -1.57 0.00 0.00 175.55 175.20 3krz s LYS 128 N -4.49 4.01 -0.10 -0.62 3.01 -1.26 -4.88 119.74 115.40 3krz s LYS 128 Ca 0.46 0.94 -0.30 0.00 -1.01 0.00 0.00 55.97 56.06 3krz s LYS 128 Cb -0.10 -2.18 -0.03 0.00 -1.01 0.00 0.00 37.83 34.51 3krz s LYS 128 CO 0.38 -0.16 1.34 -1.17 0.51 0.00 0.00 175.35 176.24 3krz s LEU 129 N -3.76 4.24 0.44 3.17 2.96 -1.26 -4.66 118.68 119.81 3krz s LEU 129 Ca 0.59 1.87 -0.22 0.00 -0.22 0.00 0.00 54.13 56.15 3krz s LEU 129 Cb -0.10 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.96 3krz s LEU 129 CO 0.26 -0.75 1.02 -2.16 -1.32 0.00 0.00 176.35 173.39 3krz s PRO 130 N 3.20 4.02 0.21 0.98 0.04 -1.26 -4.92 135.00 137.27 3krz s PRO 130 Ca 0.59 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 62.81 3krz s PRO 130 Cb -0.26 -2.27 -0.08 0.00 0.04 0.00 0.00 34.50 31.93 3krz s PRO 130 CO 0.20 -0.24 0.69 -0.98 0.04 0.00 0.00 177.00 176.71 3krz s ARG 131 N -2.96 4.18 -0.09 4.56 1.70 -0.74 -4.33 118.95 121.26 3krz s ARG 131 Ca 0.63 0.78 -0.30 0.00 -0.47 0.00 0.00 55.73 56.37 3krz s ARG 131 Cb -0.17 -2.86 -0.04 0.00 -0.57 0.00 0.00 34.95 31.32 3krz s ARG 131 CO 0.21 0.39 1.42 -2.00 -1.08 0.00 0.00 175.30 174.24 3krz s GLU 132 N -2.04 4.23 0.29 3.89 2.12 -1.26 -1.76 118.70 124.16 3krz s GLU 132 Ca 0.43 1.90 -0.29 0.00 0.36 0.00 0.00 54.97 57.36 3krz s GLU 132 Cb -0.16 -3.79 -0.10 0.00 0.26 0.00 0.00 34.13 30.34 3krz s GLU 132 CO 0.20 -0.72 1.32 -0.51 -0.54 0.00 0.00 175.26 175.01 3krz s LEU 133 N 3.41 4.43 0.68 2.70 1.43 -0.59 -4.95 118.68 125.79 3krz s LEU 133 Ca 0.63 2.59 -0.11 0.00 -1.03 0.00 0.00 54.13 56.21 3krz s LEU 133 Cb -0.28 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.31 3krz s LEU 133 CO 0.22 -0.53 1.05 -0.94 0.23 0.00 0.00 176.35 176.38 3krz s SER 134 N -0.19 5.60 0.40 2.29 1.04 -1.26 -4.88 113.70 116.69 3krz s SER 134 Ca 0.52 1.50 0.07 0.00 0.48 0.00 0.00 55.95 58.53 3krz s SER 134 Cb -0.39 -2.42 0.84 0.00 0.10 0.00 0.00 66.02 64.14 3krz s SER 134 CO 0.47 -1.29 2.02 -0.37 0.98 0.00 0.00 173.24 175.06 3krz h VAL 135 N -0.61 1.06 -0.57 5.02 -1.51 -1.99 -0.08 116.25 117.57 3krz h VAL 135 Ca -0.44 -0.21 -0.04 0.00 -1.23 0.00 0.00 66.70 64.78 3krz h VAL 135 Cb 1.21 0.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 3krz h VAL 135 CO 0.59 0.11 0.20 -0.33 -1.23 0.00 0.00 177.57 176.91 3krz h GLU 136 N 0.61 0.86 -0.30 5.19 3.07 -2.00 -1.40 114.58 120.62 3krz h GLU 136 Ca 0.21 -0.17 -0.11 0.00 -0.50 0.00 0.00 59.36 58.79 3krz h GLU 136 Cb 0.10 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3krz h GLU 136 CO -0.06 0.76 -0.27 0.93 -1.40 0.00 0.00 179.01 178.98 3krz h GLU 137 N 0.78 0.61 -0.58 2.33 5.08 -1.70 -2.26 114.58 118.84 3krz h GLU 137 Ca 0.19 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3krz h GLU 137 Cb 0.24 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3krz h GLU 137 CO -0.01 0.82 0.38 0.82 -1.00 0.00 0.00 179.01 180.02 3krz h ILE 138 N 0.53 1.13 -0.95 3.13 2.04 -0.83 -1.79 117.51 120.77 3krz h ILE 138 Ca 0.07 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3krz h ILE 138 Cb 0.74 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 3krz h ILE 138 CO 0.06 0.14 0.61 0.50 0.00 0.00 0.00 178.15 179.46 3krz h LYS 139 N 0.77 1.11 -0.22 2.37 1.63 -0.96 -0.62 116.57 120.64 3krz h LYS 139 Ca 0.22 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.85 3krz h LYS 139 Cb -0.07 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.30 3krz h LYS 139 CO -0.06 0.73 -0.27 0.66 -3.45 0.00 0.00 179.45 177.07 3krz h SER 140 N 1.14 0.43 -0.29 4.20 4.64 -0.88 -1.27 113.55 121.53 3krz h SER 140 Ca 0.40 -0.15 -0.18 0.00 -0.47 0.00 0.00 61.79 61.39 3krz h SER 140 Cb 0.11 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3krz h SER 140 CO -0.15 0.70 -0.52 0.40 -0.87 0.00 0.00 176.83 176.39 3krz h ILE 141 N 0.38 1.28 -0.54 0.95 2.04 -0.60 -0.96 117.51 120.06 3krz h ILE 141 Ca 0.05 -1.70 0.07 0.00 1.00 0.00 0.00 64.86 64.28 3krz h ILE 141 Cb 0.68 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 3krz h ILE 141 CO 0.05 0.55 0.21 0.58 0.00 0.00 0.00 178.15 179.55 3krz h VAL 142 N 0.63 0.84 -0.84 1.67 2.07 -0.85 -1.15 116.25 118.64 3krz h VAL 142 Ca 0.02 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.44 3krz h VAL 142 Cb 1.13 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3krz h VAL 142 CO 0.12 0.07 0.53 0.11 0.02 0.00 0.00 177.57 178.42 3krz h LYS 143 N 0.41 0.98 -0.98 1.57 1.79 -1.10 -1.88 116.57 117.36 3krz h LYS 143 Ca 0.26 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.71 3krz h LYS 143 Cb 0.26 -0.22 -0.06 0.00 -1.58 0.00 0.00 32.23 30.63 3krz h LYS 143 CO -0.24 0.65 0.64 0.00 -1.08 0.00 0.00 179.45 179.41 3krz h ALA 144 N 1.37 1.30 -0.65 3.86 0.00 -0.32 0.33 119.26 125.15 3krz h ALA 144 Ca 0.34 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3krz h ALA 144 Cb 0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3krz h ALA 144 CO -0.14 0.52 0.08 0.74 0.00 0.00 0.00 179.25 180.46 3krz h PHE 145 N 1.23 1.15 -0.11 0.00 0.04 -0.60 -0.83 116.94 117.83 3krz h PHE 145 Ca 0.39 -0.16 0.02 0.00 2.80 0.00 0.00 57.97 61.02 3krz h PHE 145 Cb 0.01 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.82 3krz h PHE 145 CO -0.01 0.97 -0.03 0.78 -0.60 0.00 0.00 178.31 179.43 3krz h GLY 146 N 1.04 0.07 1.17 -1.45 0.00 -0.83 -1.47 103.07 101.60 3krz h GLY 146 Ca 0.19 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 3krz h GLY 146 CO 0.02 -0.05 0.10 0.83 0.00 0.00 0.00 176.54 177.44 3krz h GLU 147 N -0.01 1.02 -0.76 4.80 5.08 -0.83 -1.39 114.58 122.50 3krz h GLU 147 Ca 0.05 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3krz h GLU 147 Cb 0.09 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3krz h GLU 147 CO -0.12 0.94 0.41 0.00 -1.00 0.00 0.00 179.01 179.24 3krz h ALA 148 N 1.14 1.30 -0.29 3.43 0.00 -1.03 -0.90 119.26 122.90 3krz h ALA 148 Ca 0.19 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3krz h ALA 148 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3krz h ALA 148 CO 0.01 0.57 -0.41 0.00 0.00 0.00 0.00 179.25 179.42 3krz h ALA 149 N 1.39 0.72 -0.67 0.00 0.00 -0.69 0.60 119.26 120.63 3krz h ALA 149 Ca 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3krz h ALA 149 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3krz h ALA 149 CO -0.04 0.66 0.43 -0.22 0.00 0.00 0.00 179.25 180.08 3krz h LYS 150 N 0.58 0.89 -0.51 0.00 3.64 -0.89 -1.13 116.57 119.15 3krz h LYS 150 Ca 0.04 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 3krz h LYS 150 Cb 0.96 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3krz h LYS 150 CO 0.09 0.60 -0.11 0.00 -2.27 0.00 0.00 179.45 177.76 3krz h ARG 151 N 0.91 0.95 -0.73 1.90 3.08 -0.91 -2.32 114.38 117.25 3krz h ARG 151 Ca 0.24 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 3krz h ARG 151 Cb -0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3krz h ARG 151 CO -0.05 1.00 0.29 0.00 -1.07 0.00 0.00 179.97 180.15 3krz h ALA 152 N 1.02 0.95 -0.87 0.04 0.00 -0.59 -0.22 119.26 119.59 3krz h ALA 152 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3krz h ALA 152 Cb 0.65 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3krz h ALA 152 CO 0.05 0.57 0.53 -0.97 0.00 0.00 0.00 179.25 179.43 3krz h ASN 153 N 1.05 1.04 0.02 0.00 -1.24 -0.99 -2.35 115.58 113.10 3krz h ASN 153 Ca 0.24 -0.06 -0.09 0.00 0.71 0.00 0.00 56.30 57.10 3krz h ASN 153 Cb 0.21 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 3krz h ASN 153 CO -0.02 0.80 -0.28 -0.07 -1.29 0.00 0.00 177.43 176.57 3krz h LEU 154 N 1.19 0.41 -1.88 0.34 3.38 -0.93 -1.98 115.31 115.85 3krz h LEU 154 Ca 0.31 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3krz h LEU 154 Cb -0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3krz h LEU 154 CO -0.06 0.68 -0.01 0.00 0.09 0.00 0.00 178.44 179.15 3krz h ALA 155 N 1.35 1.01 0.00 1.53 0.00 -0.77 -3.48 119.26 118.90 3krz h ALA 155 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3krz h ALA 155 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3krz h ALA 155 CO 0.05 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3krz n GLY 156 N -0.27 0.81 3.66 0.00 0.00 -0.74 -4.51 105.19 104.14 3krz n GLY 156 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.15 1.86 0.06 1.61 4.01 -1.03 -4.93 117.16 116.59 3krz n TYR 157 Ca 0.00 0.57 -0.08 0.00 -0.16 0.00 0.00 57.90 58.23 3krz n TYR 157 Cb 0.00 -2.34 -0.12 0.00 -0.31 0.00 0.00 39.34 36.56 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 2.17 0.06 -3.76 7.72 3.32 -1.04 -3.44 116.42 121.45 3krz h ASP 158 Ca -0.45 -0.07 -0.25 0.00 0.02 0.00 0.00 57.03 56.28 3krz h ASP 158 Cb 1.31 -0.02 -0.28 0.00 0.22 0.00 0.00 39.33 40.55 3krz h ASP 158 CO 0.61 1.05 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.76 3krz s VAL 159 N -2.69 0.08 -0.08 -1.35 1.01 -1.02 -4.06 120.40 112.29 3krz s VAL 159 Ca -0.00 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3krz s VAL 159 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.37 3krz s VAL 159 CO 0.83 0.03 -0.16 0.54 0.00 0.00 0.00 175.10 176.34 3krz s VAL 160 N 0.02 2.87 -0.09 2.92 0.11 -1.15 -1.76 120.40 123.31 3krz s VAL 160 Ca 0.00 -0.77 0.04 0.00 -2.93 0.00 0.00 61.98 58.32 3krz s VAL 160 Cb -0.01 -2.14 -0.01 0.00 -1.53 0.00 0.00 36.38 32.69 3krz s VAL 160 CO -0.00 0.56 -0.22 -0.70 -3.33 0.00 0.00 175.10 171.41 3krz s GLU 161 N -0.22 2.92 -0.21 1.54 2.12 0.36 -0.65 118.70 124.56 3krz s GLU 161 Ca 0.00 -0.84 -0.19 0.00 0.36 0.00 0.00 54.97 54.30 3krz s GLU 161 Cb -0.13 -2.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.91 3krz s GLU 161 CO 0.03 0.28 0.56 0.42 -0.54 0.00 0.00 175.26 176.01 3krz s ILE 162 N 0.12 5.07 -0.77 -3.70 1.01 -0.33 -0.17 121.20 122.44 3krz s ILE 162 Ca -0.11 1.04 -0.25 0.00 0.00 0.00 0.00 60.65 61.33 3krz s ILE 162 Cb -0.16 -3.88 0.05 0.00 0.01 0.00 0.00 42.46 38.48 3krz s ILE 162 CO 0.06 0.14 1.21 -2.28 0.00 0.00 0.00 174.94 174.07 3krz s HIS 163 N 1.81 2.47 -0.21 3.97 2.46 -0.42 -1.28 115.29 124.09 3krz s HIS 163 Ca 0.26 -0.37 0.15 0.00 0.47 0.00 0.00 55.06 55.56 3krz s HIS 163 Cb -0.16 -4.53 0.56 0.00 -0.13 0.00 0.00 32.58 28.33 3krz s HIS 163 CO 0.10 -1.91 1.48 0.00 -2.47 0.00 0.00 174.74 171.94 3krz n ALA 164 N 8.69 3.35 -4.29 1.58 0.00 0.52 -4.57 120.51 125.78 3krz n ALA 164 Ca 0.07 -2.40 -0.16 0.00 0.00 0.00 0.00 53.44 50.95 3krz n ALA 164 Cb 0.48 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.50 0.23 -2.23 0.00 0.00 -1.07 -3.42 120.51 113.51 3krz n ALA 165 Ca 0.25 -1.11 -0.20 0.00 0.00 0.00 0.00 53.44 52.38 3krz n ALA 165 Cb 0.97 0.63 -0.02 0.00 0.00 0.00 0.00 19.45 21.03 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 -0.59 -0.78 -0.99 0.00 8.25 -1.21 -2.31 115.22 117.58 3krz n HIS 166 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3krz n HIS 166 Cb 0.31 -3.80 0.00 0.00 1.12 0.00 0.00 29.99 27.62 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 -0.91 0.44 0.00 -1.41 0.00 -1.24 -4.53 105.19 97.53 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 -2.75 -2.14 0.08 1.61 4.01 -0.98 -4.58 117.16 112.41 3krz n TYR 168 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 3krz n TYR 168 Cb 0.09 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.19 -0.34 7.72 5.85 -1.19 -0.97 115.31 126.19 3krz h LEU 169 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3krz h LEU 169 Cb 0.00 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3krz h LEU 169 CO 0.00 -0.12 0.12 0.40 -0.34 0.00 0.00 178.44 178.51 3krz h ILE 170 N -0.17 1.20 -0.93 4.05 2.04 -1.80 -2.20 117.51 119.69 3krz h ILE 170 Ca 0.01 -0.62 0.15 0.00 1.00 0.00 0.00 64.86 65.40 3krz h ILE 170 Cb 0.16 0.97 -0.09 0.00 -0.74 0.00 0.00 36.82 37.11 3krz h ILE 170 CO -0.02 0.21 0.54 -0.74 0.00 0.00 0.00 178.15 178.14 3krz h HIS 171 N 0.40 0.95 -0.54 1.37 2.76 -1.52 -1.47 115.15 117.10 3krz h HIS 171 Ca 0.11 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3krz h HIS 171 Cb 0.22 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 3krz h HIS 171 CO 0.00 0.27 0.20 0.93 -1.30 0.00 0.00 177.93 178.03 3krz h GLU 172 N 0.76 0.79 -0.35 5.26 5.08 -0.57 -0.71 114.58 124.85 3krz h GLU 172 Ca 0.50 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.62 3krz h GLU 172 Cb 0.66 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3krz h GLU 172 CO -0.34 0.67 -0.26 0.74 -1.00 0.00 0.00 179.01 178.82 3krz h PHE 173 N 0.78 0.81 -0.10 4.33 0.04 -0.97 -3.17 116.94 118.66 3krz h PHE 173 Ca 0.18 -0.19 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 3krz h PHE 173 Cb 0.19 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3krz h PHE 173 CO 0.01 0.89 -0.54 -0.07 -0.60 0.00 0.00 178.31 178.00 3krz h LEU 174 N 0.61 0.32 -9.34 1.54 3.38 -0.21 -3.44 115.31 108.17 3krz h LEU 174 Ca 0.08 -0.17 -0.57 0.00 0.09 0.00 0.00 57.88 57.32 3krz h LEU 174 Cb 0.76 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 3krz h LEU 174 CO 0.06 0.80 0.03 -0.55 0.09 0.00 0.00 178.44 178.88 3krz s SER 175 N -6.89 6.89 0.65 -0.43 0.15 -0.40 -4.91 113.70 108.75 3krz s SER 175 Ca -0.05 1.07 0.44 0.00 0.70 0.00 0.00 55.95 58.11 3krz s SER 175 Cb 0.12 -2.38 2.37 0.00 -1.71 0.00 0.00 66.02 64.42 3krz s SER 175 CO 0.80 -0.10 2.34 -0.65 1.20 0.00 0.00 173.24 176.83 3krz h PRO 176 N 6.80 0.00 0.00 5.44 0.11 -1.83 -0.58 132.00 141.94 3krz h PRO 176 Ca -0.40 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 3krz h PRO 176 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3krz h PRO 176 CO 0.76 0.00 -0.17 -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 -3.33 115.31 115.78 3krz h LEU 177 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3krz h LEU 177 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3krz h LEU 177 CO 0.00 0.17 -0.48 -1.54 0.09 0.00 0.00 178.44 176.68 3krz n SER 178 N -3.24 2.04 -4.20 -0.43 3.41 -0.87 -4.92 113.62 105.41 3krz n SER 178 Ca 0.01 -0.30 -0.40 0.00 -0.26 0.00 0.00 58.87 57.92 3krz n SER 178 Cb 0.47 1.02 -0.09 0.00 -0.26 0.00 0.00 64.21 65.35 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 -1.55 5.62 -0.19 4.04 3.84 -0.28 -4.16 114.94 122.26 3krz s ASN 179 Ca 0.00 -1.90 0.16 0.00 0.21 0.00 0.00 52.86 51.32 3krz s ASN 179 Cb 0.01 -1.98 0.63 0.00 -0.55 0.00 0.00 41.25 39.36 3krz s ASN 179 CO 0.05 -0.66 1.54 0.29 -2.79 0.00 0.00 177.10 175.53 3krz n LYS 180 N 4.85 3.64 -1.80 0.43 4.76 -1.26 -4.67 118.16 124.10 3krz n LYS 180 Ca -0.07 -2.92 -0.35 0.00 -2.87 0.00 0.00 58.31 52.10 3krz n LYS 180 Cb 0.41 -1.96 0.05 0.00 -1.84 0.00 0.00 35.03 31.69 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 -2.66 2.69 -0.03 1.97 0.52 -1.26 -4.93 118.95 115.25 3krz s ARG 181 Ca 0.46 1.76 0.05 0.00 -0.52 0.00 0.00 55.73 57.49 3krz s ARG 181 Cb 0.36 -1.90 0.10 0.00 0.52 0.00 0.00 34.95 34.02 3krz s ARG 181 CO 0.13 -1.41 1.06 1.63 0.02 0.00 0.00 175.30 176.73 3krz n LYS 182 N -2.03 2.65 -0.15 3.54 4.76 -1.26 -3.11 118.16 122.56 3krz n LYS 182 Ca 0.13 -1.80 0.00 0.00 -2.87 0.00 0.00 58.31 53.77 3krz n LYS 182 Cb 0.50 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.54 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 -0.59 0.26 0.00 4.39 5.75 -1.26 -4.93 116.55 120.16 3krz n ASP 183 Ca 0.05 -0.13 0.08 0.00 -0.01 0.00 0.00 54.79 54.78 3krz n ASP 183 Cb 0.36 0.00 0.40 0.00 -1.03 0.00 0.00 41.12 40.85 3krz n ASP 183 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 3krz n GLU 184 N -0.11 0.18 -0.30 0.11 0.00 -1.26 -2.09 120.64 117.16 3krz n GLU 184 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 57.16 57.43 3krz n GLU 184 Cb 0.00 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.22 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 -1.34 0.80 -4.18 -1.84 4.01 -1.26 -4.58 117.16 108.77 3krz n TYR 185 Ca 0.07 -0.41 -0.16 0.00 -0.16 0.00 0.00 57.90 57.24 3krz n TYR 185 Cb 0.15 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.11 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 -1.16 1.77 0.00 2.72 0.00 -0.89 -3.99 107.32 105.77 3krz s GLY 186 Ca 0.44 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3krz s GLY 186 CO 0.32 -1.24 0.00 0.70 0.00 0.00 0.00 173.10 172.88 3krz n ASN 187 N -1.21 0.00 -4.77 1.64 4.13 -1.18 -4.64 115.26 109.23 3krz n ASN 187 Ca 0.04 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.96 3krz n ASN 187 Cb 0.63 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.90 3krz n ASN 187 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3krz s SER 188 N -4.00 5.29 0.27 6.41 1.04 -1.26 -4.77 113.70 116.67 3krz s SER 188 Ca 0.00 2.12 -0.02 0.00 0.48 0.00 0.00 55.95 58.53 3krz s SER 188 Cb 0.00 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 63.98 3krz s SER 188 CO 0.00 -1.51 1.87 -0.29 0.98 0.00 0.00 173.24 174.29 3krz h ILE 189 N 0.51 1.05 -0.38 -1.02 2.10 -1.99 -0.27 117.51 117.51 3krz h ILE 189 Ca -0.48 -0.38 -0.06 0.00 1.08 0.00 0.00 64.86 65.01 3krz h ILE 189 Cb 1.26 -0.17 -0.02 0.00 -1.09 0.00 0.00 36.82 36.80 3krz h ILE 189 CO 0.55 0.20 -0.01 1.05 -1.08 0.00 0.00 178.15 178.86 3krz h GLU 190 N 1.12 0.60 -0.29 2.19 9.09 -1.97 -1.76 114.58 123.57 3krz h GLU 190 Ca 0.44 -0.14 -0.15 0.00 0.05 0.00 0.00 59.36 59.55 3krz h GLU 190 Cb 0.23 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3krz h GLU 190 CO -0.19 0.64 -0.42 -0.91 0.05 0.00 0.00 179.01 178.17 3krz h ASN 191 N 0.57 0.87 -0.20 3.06 4.21 -1.55 -2.72 115.58 119.82 3krz h ASN 191 Ca 0.12 -0.51 -0.01 0.00 1.21 0.00 0.00 56.30 57.11 3krz h ASN 191 Cb 0.39 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 3krz h ASN 191 CO 0.01 1.21 0.10 0.03 -1.29 0.00 0.00 177.43 177.50 3krz h ARG 192 N 0.56 0.32 0.00 0.81 3.08 -0.83 -1.77 114.38 116.55 3krz h ARG 192 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3krz h ARG 192 Cb 1.02 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3krz h ARG 192 CO 0.10 0.26 0.00 0.00 -1.07 0.00 0.00 179.97 179.26 3krz n ALA 193 N -2.50 2.16 -0.16 0.04 0.00 -0.68 -3.98 120.51 115.39 3krz n ALA 193 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 3krz n ALA 193 Cb 0.11 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.17 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 0.46 -0.17 0.00 2.43 -0.99 -0.80 114.38 115.31 3krz h ARG 194 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3krz h ARG 194 Cb 0.58 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3krz h ARG 194 CO 0.00 0.30 0.07 0.35 -1.51 0.00 0.00 179.97 179.18 3krz h PHE 195 N 0.47 0.26 -0.47 2.20 3.57 -1.76 0.04 116.94 121.25 3krz h PHE 195 Ca 0.22 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3krz h PHE 195 Cb 0.14 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 3krz h PHE 195 CO -0.11 0.32 0.19 1.25 -2.23 0.00 0.00 178.31 177.74 3krz h LEU 196 N 0.13 0.23 -0.47 0.59 5.85 -1.73 -0.60 115.31 119.32 3krz h LEU 196 Ca 0.06 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3krz h LEU 196 Cb 0.17 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3krz h LEU 196 CO -0.00 0.17 0.26 0.40 -0.34 0.00 0.00 178.44 178.93 3krz h ILE 197 N 0.39 1.02 -0.73 4.05 2.04 -0.90 -0.68 117.51 122.69 3krz h ILE 197 Ca 0.22 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3krz h ILE 197 Cb 0.19 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3krz h ILE 197 CO -0.20 0.10 0.38 -0.33 0.00 0.00 0.00 178.15 178.10 3krz h GLU 198 N 0.52 1.03 -0.28 2.37 5.08 -0.62 -0.68 114.58 122.00 3krz h GLU 198 Ca 0.19 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3krz h GLU 198 Cb 0.05 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3krz h GLU 198 CO -0.11 0.79 0.14 0.28 -1.00 0.00 0.00 179.01 179.11 3krz h VAL 199 N 1.01 1.14 -0.28 3.13 2.07 -0.79 -0.97 116.25 121.55 3krz h VAL 199 Ca 0.25 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3krz h VAL 199 Cb 0.07 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3krz h VAL 199 CO -0.04 0.14 0.17 0.40 0.02 0.00 0.00 177.57 178.27 3krz h ILE 200 N 0.32 1.09 -0.57 4.57 2.04 -0.91 -0.21 117.51 123.85 3krz h ILE 200 Ca 0.10 -0.19 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3krz h ILE 200 Cb 0.10 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3krz h ILE 200 CO -0.01 0.09 0.25 0.44 0.00 0.00 0.00 178.15 178.92 3krz h ASP 201 N 0.36 0.32 -0.39 1.72 3.32 -0.94 -0.27 116.42 120.55 3krz h ASP 201 Ca 0.10 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 3krz h ASP 201 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3krz h ASP 201 CO -0.02 0.21 -0.28 -0.08 -1.72 0.00 0.00 179.24 177.35 3krz h GLU 202 N 0.47 0.91 -0.41 3.56 4.57 -0.92 -2.52 114.58 120.25 3krz h GLU 202 Ca 0.27 -0.41 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3krz h GLU 202 Cb 0.25 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3krz h GLU 202 CO -0.23 1.07 0.25 0.28 -1.18 0.00 0.00 179.01 179.21 3krz h VAL 203 N 0.77 1.07 -0.17 0.32 2.07 -0.67 -2.52 116.25 117.14 3krz h VAL 203 Ca 0.09 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3krz h VAL 203 Cb 0.85 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3krz h VAL 203 CO 0.07 0.09 0.11 0.03 0.02 0.00 0.00 177.57 177.90 3krz h ARG 204 N 0.52 0.18 0.00 1.57 3.08 -0.89 0.49 114.38 119.33 3krz h ARG 204 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3krz h ARG 204 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3krz h ARG 204 CO -0.05 0.12 0.00 0.87 -1.07 0.00 0.00 179.97 179.84 3krz h LYS 205 N 0.19 0.00 0.00 0.04 1.57 -1.01 -3.20 116.57 114.15 3krz h LYS 205 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3krz h LYS 205 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3krz h LYS 205 CO -0.01 0.00 -0.00 0.09 -0.57 0.00 0.00 179.45 178.96 3krz n ASN 206 N -2.79 1.90 -3.90 0.86 3.02 0.01 -5.00 115.26 109.36 3krz n ASN 206 Ca 0.01 -1.97 -0.20 0.00 -0.03 0.00 0.00 54.58 52.39 3krz n ASN 206 Cb 0.26 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.98 0.81 0.24 3.10 -0.11 -0.32 -3.39 118.94 118.30 3krz s TRP 207 Ca 0.00 -0.24 -0.31 0.00 1.22 0.00 0.00 56.10 56.78 3krz s TRP 207 Cb 0.00 -0.71 -0.14 0.00 -1.50 0.00 0.00 33.47 31.13 3krz s TRP 207 CO 0.00 -0.20 1.32 -2.30 -4.62 0.00 0.00 176.95 171.15 3krz n PRO 208 N 4.06 1.84 0.33 5.86 -0.02 -1.26 -4.79 135.00 141.02 3krz n PRO 208 Ca -0.24 0.65 0.21 0.00 -2.02 0.00 0.00 63.50 62.10 3krz n PRO 208 Cb 0.51 -2.25 1.14 0.00 -0.02 0.00 0.00 33.50 32.88 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 3.71 0.00 -0.30 -0.52 9.09 -2.00 -2.11 114.58 122.45 3krz h GLU 209 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 3krz h GLU 209 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3krz h GLU 209 CO 0.72 0.00 0.00 0.27 0.05 0.00 0.00 179.01 180.05 3krz n ASN 210 N -3.27 2.59 -4.63 3.06 6.94 -1.26 -4.87 115.26 113.82 3krz n ASN 210 Ca -0.03 -1.87 -0.34 0.00 -0.02 0.00 0.00 54.58 52.32 3krz n ASN 210 Cb 0.09 -0.19 -0.10 0.00 -2.36 0.00 0.00 39.78 37.21 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 -1.61 2.84 0.59 -3.83 1.02 -0.79 -1.82 119.74 116.14 3krz s LYS 211 Ca 0.35 -0.50 -0.18 0.00 0.02 0.00 0.00 55.97 55.67 3krz s LYS 211 Cb 0.20 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 3krz s LYS 211 CO 0.28 0.68 1.14 -2.14 -0.92 0.00 0.00 175.35 174.38 3krz s PRO 212 N -0.92 3.09 -0.12 -1.68 0.02 -1.26 -4.87 135.00 129.26 3krz s PRO 212 Ca 0.13 1.57 0.03 0.00 0.02 0.00 0.00 61.00 62.75 3krz s PRO 212 Cb -0.11 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3krz s PRO 212 CO 0.03 -1.05 -0.21 0.42 -0.33 0.00 0.00 177.00 175.85 3krz s ILE 213 N -1.94 2.20 0.22 2.83 1.01 -1.26 -2.95 121.20 121.31 3krz s ILE 213 Ca 0.72 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 60.48 3krz s ILE 213 Cb -0.24 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3krz s ILE 213 CO 0.33 0.55 0.13 -0.36 0.00 0.00 0.00 174.94 175.59 3krz s PHE 214 N 0.57 3.04 -0.06 3.97 0.40 0.18 -0.65 117.98 125.42 3krz s PHE 214 Ca -0.12 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 3krz s PHE 214 Cb -0.17 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 41.98 3krz s PHE 214 CO 0.04 0.53 -0.05 0.08 0.70 0.00 0.00 175.22 176.52 3krz s VAL 215 N -1.99 0.67 -0.12 -0.44 1.01 -0.77 -1.18 120.40 117.58 3krz s VAL 215 Ca 0.31 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 3krz s VAL 215 Cb -0.08 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3krz s VAL 215 CO 0.23 0.27 0.45 -0.60 0.00 0.00 0.00 175.10 175.46 3krz s ARG 216 N 1.23 4.31 0.14 2.72 3.52 -0.40 -0.69 118.95 129.78 3krz s ARG 216 Ca -0.06 0.41 0.07 0.00 -0.13 0.00 0.00 55.73 56.03 3krz s ARG 216 Cb -0.14 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 3krz s ARG 216 CO -0.02 0.19 -0.17 0.14 -0.81 0.00 0.00 175.30 174.63 3krz s VAL 217 N 0.53 1.62 -0.40 7.11 -7.23 -0.77 -0.36 120.40 120.91 3krz s VAL 217 Ca 0.25 -1.79 -0.15 0.00 -1.81 0.00 0.00 61.98 58.47 3krz s VAL 217 Cb -0.15 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.12 3krz s VAL 217 CO 0.10 -0.32 0.34 -0.44 -0.31 0.00 0.00 175.10 174.47 3krz s SER 218 N -2.48 6.14 0.00 4.85 0.01 -1.26 -0.70 113.70 120.25 3krz s SER 218 Ca 0.12 -0.69 0.30 0.00 1.31 0.00 0.00 55.95 56.99 3krz s SER 218 Cb -0.06 -2.18 1.59 0.00 0.21 0.00 0.00 66.02 65.58 3krz s SER 218 CO 0.05 -0.45 2.06 0.00 0.41 0.00 0.00 173.24 175.31 3krz n ALA 219 N 5.31 2.66 -3.65 1.44 0.00 0.25 -4.77 120.51 121.75 3krz n ALA 219 Ca -0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.01 3krz n ALA 219 Cb 0.48 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.15 -0.86 0.00 0.00 -1.08 -1.26 -2.56 116.67 108.76 3krz s ASP 220 Ca 0.40 1.40 0.26 0.00 -0.52 0.00 0.00 52.55 54.09 3krz s ASP 220 Cb 0.21 1.28 0.63 0.00 -1.46 0.00 0.00 42.92 43.58 3krz s ASP 220 CO 0.39 -0.23 1.49 0.47 0.52 0.00 0.00 175.17 177.82 3krz n ASP 221 N 4.23 0.63 -2.74 -0.34 8.00 -0.44 -1.17 116.55 124.71 3krz n ASP 221 Ca -0.20 -0.41 -0.20 0.00 0.71 0.00 0.00 54.79 54.68 3krz n ASP 221 Cb 0.58 0.18 0.01 0.00 -0.02 0.00 0.00 41.12 41.87 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 -1.24 -1.51 -3.82 1.24 4.01 -1.26 -4.90 117.16 109.67 3krz n TYR 222 Ca 0.08 0.24 -0.12 0.00 -0.16 0.00 0.00 57.90 57.93 3krz n TYR 222 Cb 0.34 -3.83 -0.12 0.00 -0.31 0.00 0.00 39.34 35.42 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 -5.39 0.24 0.17 -0.72 -1.94 -1.26 -5.00 119.30 105.40 3krz s MET 223 Ca 0.15 0.14 -0.34 0.00 -1.71 0.00 0.00 55.69 53.94 3krz s MET 223 Cb -0.07 0.11 -0.14 0.00 2.01 0.00 0.00 34.83 36.74 3krz s MET 223 CO 0.19 -0.04 1.54 0.39 -0.01 0.00 0.00 175.02 177.09 3krz n GLU 224 N 2.76 2.07 -0.06 2.03 -0.58 -1.26 -1.75 120.64 123.86 3krz n GLU 224 Ca -0.14 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 3krz n GLU 224 Cb 0.58 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 28.96 3krz n GLU 224 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3krz n GLY 225 N 3.20 1.43 0.00 0.62 0.00 -1.26 -5.03 105.19 104.16 3krz n GLY 225 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 1.53 3.77 -0.02 0.00 -0.71 -4.31 105.19 103.45 3krz n GLY 226 Ca 0.00 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 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 0.82 2.29 0.34 -0.61 1.01 -1.26 -4.88 121.20 118.91 3krz s ILE 227 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.97 3krz s ILE 227 Cb 0.00 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 3krz s ILE 227 CO 0.00 0.07 0.16 0.54 0.00 0.00 0.00 174.94 175.70 3krz s ASN 228 N -0.18 2.03 0.27 3.58 2.20 -1.26 -1.33 114.94 120.25 3krz s ASN 228 Ca 0.53 -1.61 -0.01 0.00 -0.94 0.00 0.00 52.86 50.82 3krz s ASN 228 Cb -0.44 0.42 0.47 0.00 -2.00 0.00 0.00 41.25 39.70 3krz s ASN 228 CO 0.58 -0.91 1.87 -0.29 -2.94 0.00 0.00 177.10 175.41 3krz h ILE 229 N 2.05 1.03 -0.56 0.54 6.09 -1.90 -0.73 117.51 124.03 3krz h ILE 229 Ca -0.33 -0.38 -0.04 0.00 -1.37 0.00 0.00 64.86 62.74 3krz h ILE 229 Cb 1.26 -0.18 -0.02 0.00 0.47 0.00 0.00 36.82 38.34 3krz h ILE 229 CO 0.53 0.20 0.20 0.44 -3.07 0.00 0.00 178.15 176.45 3krz h ASP 230 N 1.11 0.79 -0.78 2.19 3.32 -1.97 -0.05 116.42 121.02 3krz h ASP 230 Ca 0.46 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3krz h ASP 230 Cb 0.29 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3krz h ASP 230 CO -0.20 0.76 0.37 -0.03 -1.72 0.00 0.00 179.24 178.41 3krz h MET 231 N 0.77 1.13 -0.46 3.56 4.05 -1.73 -2.27 114.93 119.97 3krz h MET 231 Ca 0.18 -0.17 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 3krz h MET 231 Cb 0.23 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 3krz h MET 231 CO -0.01 0.88 -0.06 1.98 0.23 0.00 0.00 176.91 179.92 3krz h MET 232 N 1.10 0.81 -0.60 0.39 1.85 -0.66 -2.01 114.93 115.81 3krz h MET 232 Ca 0.27 -0.25 0.05 0.00 -0.61 0.00 0.00 59.70 59.15 3krz h MET 232 Cb 0.13 -0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.04 3krz h MET 232 CO -0.03 0.86 0.33 0.28 -0.40 0.00 0.00 176.91 177.95 3krz h VAL 233 N 0.74 0.99 -0.28 -5.77 2.07 -0.76 0.40 116.25 113.65 3krz h VAL 233 Ca 0.13 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3krz h VAL 233 Cb 0.54 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3krz h VAL 233 CO 0.03 0.12 0.00 -0.33 0.02 0.00 0.00 177.57 177.41 3krz h GLU 234 N 0.64 0.09 -0.59 1.57 5.08 -1.01 -0.85 114.58 119.50 3krz h GLU 234 Ca 0.26 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3krz h GLU 234 Cb 0.13 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3krz h GLU 234 CO -0.15 0.06 0.38 1.88 -1.00 0.00 0.00 179.01 180.18 3krz h TYR 235 N 0.09 0.72 -0.53 4.33 0.05 -0.90 -2.76 116.97 117.98 3krz h TYR 235 Ca 0.13 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.85 3krz h TYR 235 Cb 0.17 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3krz h TYR 235 CO -0.21 0.44 -0.00 0.82 -1.05 0.00 0.00 178.16 178.16 3krz h ILE 236 N 0.77 1.25 -0.01 -2.88 1.08 -0.57 -1.40 117.51 115.75 3krz h ILE 236 Ca 0.22 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 3krz h ILE 236 Cb -0.05 0.85 -0.00 0.00 -3.07 0.00 0.00 36.82 34.55 3krz h ILE 236 CO -0.07 0.38 0.01 0.78 -0.69 0.00 0.00 178.15 178.57 3krz h ASN 237 N 0.83 0.00 1.16 1.72 2.35 -0.96 0.13 115.58 120.81 3krz h ASN 237 Ca 0.16 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3krz h ASN 237 Cb 0.50 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 3krz h ASN 237 CO 0.02 0.00 -0.11 0.24 -1.65 0.00 0.00 177.43 175.93 3krz h MET 238 N 0.00 0.00 0.00 0.81 2.86 -0.97 -3.35 114.93 114.27 3krz h MET 238 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3krz h MET 238 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3krz h MET 238 CO -0.00 0.11 -0.23 0.44 1.06 0.00 0.00 176.91 178.29 3krz n ILE 239 N -3.21 0.00 0.32 -1.22 -5.35 -0.69 -4.80 119.36 104.41 3krz n ILE 239 Ca 0.01 -0.38 0.20 0.00 -0.27 0.00 0.00 62.75 62.31 3krz n ILE 239 Cb 0.41 0.88 1.06 0.00 -1.74 0.00 0.00 39.64 40.25 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 0.00 0.00 -0.00 6.28 2.10 -0.92 0.54 116.57 124.57 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 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3krz h LYS 240 CO 0.00 0.01 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.20 3krz n ASP 241 N -3.33 0.01 -0.09 7.07 8.00 -1.26 -3.61 116.55 123.34 3krz n ASP 241 Ca -0.03 0.18 0.04 0.00 0.71 0.00 0.00 54.79 55.70 3krz n ASP 241 Cb 0.11 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.39 3.41 -4.29 -1.24 5.02 0.16 -5.04 118.16 114.79 3krz n LYS 242 Ca 0.10 -0.26 -0.16 0.00 -2.02 0.00 0.00 58.31 55.98 3krz n LYS 242 Cb 0.29 -0.93 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.44 1.07 -0.08 -0.18 -7.23 -1.11 -4.88 120.40 106.56 3krz s VAL 243 Ca 0.05 -2.04 0.15 0.00 -1.81 0.00 0.00 61.98 58.32 3krz s VAL 243 Cb 0.06 -2.12 -0.22 0.00 0.56 0.00 0.00 36.38 34.66 3krz s VAL 243 CO 0.25 -0.51 0.22 0.47 -0.31 0.00 0.00 175.10 175.22 3krz n ASP 244 N -0.31 1.38 -3.64 4.85 8.00 0.18 -4.84 116.55 122.16 3krz n ASP 244 Ca -0.07 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 3krz n ASP 244 Cb 0.62 1.35 -0.07 0.00 -0.02 0.00 0.00 41.12 43.00 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 -4.53 -0.65 -0.25 0.64 0.20 -1.22 -4.11 118.68 108.75 3krz s LEU 245 Ca -0.06 1.40 -0.08 0.00 0.69 0.00 0.00 54.13 56.07 3krz s LEU 245 Cb 0.08 2.37 -0.04 0.00 -0.43 0.00 0.00 46.19 48.17 3krz s LEU 245 CO 0.63 -0.24 0.10 -0.63 -0.29 0.00 0.00 176.35 175.93 3krz s ILE 246 N 0.42 4.62 -0.51 6.68 -1.09 -0.33 -1.84 121.20 129.16 3krz s ILE 246 Ca -0.00 -0.07 -0.21 0.00 -2.23 0.00 0.00 60.65 58.14 3krz s ILE 246 Cb -0.05 -3.17 0.05 0.00 -1.58 0.00 0.00 42.46 37.71 3krz s ILE 246 CO -0.00 0.32 0.74 -0.62 -1.23 0.00 0.00 174.94 174.15 3krz s ASP 247 N 1.58 6.29 -0.31 3.58 2.15 0.14 -1.34 116.67 128.74 3krz s ASP 247 Ca 0.06 -0.60 -0.16 0.00 0.43 0.00 0.00 52.55 52.28 3krz s ASP 247 Cb -0.15 -2.35 -0.02 0.00 -0.30 0.00 0.00 42.92 40.10 3krz s ASP 247 CO 0.06 -0.98 0.40 -0.69 -0.17 0.00 0.00 175.17 173.78 3krz s VAL 248 N 3.12 5.14 0.00 1.11 1.01 -0.86 -1.84 120.40 128.07 3krz s VAL 248 Ca 0.22 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.53 3krz s VAL 248 Cb -0.16 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3krz s VAL 248 CO 0.16 -0.01 0.00 -0.24 0.00 0.00 0.00 175.10 175.01 3krz n SER 249 N 5.43 1.21 -3.62 3.32 2.88 0.12 -4.20 113.62 118.77 3krz n SER 249 Ca -0.08 -0.05 -0.09 0.00 -1.33 0.00 0.00 58.87 57.33 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 0.90 -0.38 0.05 -3.46 1.04 -1.26 -0.58 113.70 110.01 3krz s SER 250 Ca 0.00 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.18 3krz s SER 250 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3krz s SER 250 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3krz n GLY 251 N -0.40 -2.20 0.00 7.32 0.00 -0.32 -4.75 105.19 104.85 3krz n GLY 251 Ca -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.34 2.73 0.19 -0.02 0.00 -1.26 -3.36 105.19 102.12 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 0.61 -7.68 0.99 5.85 -1.86 -3.30 115.31 109.92 3krz h LEU 253 Ca 0.00 -0.44 -0.13 0.00 0.84 0.00 0.00 57.88 58.15 3krz h LEU 253 Cb 0.00 -0.17 -0.19 0.00 0.37 0.00 0.00 40.66 40.66 3krz h LEU 253 CO 0.00 0.93 -0.41 -0.76 -0.34 0.00 0.00 178.44 177.86 3krz s LEU 254 N -9.10 1.32 0.13 2.25 1.43 -1.26 -4.82 118.68 108.64 3krz s LEU 254 Ca -0.13 -0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 52.48 3krz s LEU 254 Cb 0.08 0.91 -0.10 0.00 0.03 0.00 0.00 46.19 47.11 3krz s LEU 254 CO 0.80 -0.45 1.63 0.21 0.23 0.00 0.00 176.35 178.77 3krz s ASN 255 N -1.58 6.56 -0.02 2.29 3.84 -1.26 -4.99 114.94 119.78 3krz s ASN 255 Ca -0.12 2.61 -0.09 0.00 0.21 0.00 0.00 52.86 55.47 3krz s ASN 255 Cb -0.05 -2.58 0.01 0.00 -0.55 0.00 0.00 41.25 38.08 3krz s ASN 255 CO 0.01 -0.87 0.20 0.68 -2.79 0.00 0.00 177.10 174.32 3krz s VAL 256 N 1.77 0.06 -0.33 -5.21 -7.23 -1.26 -5.12 120.40 103.08 3krz s VAL 256 Ca 0.73 -0.48 -0.29 0.00 -1.81 0.00 0.00 61.98 60.12 3krz s VAL 256 Cb -0.43 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.07 3krz s VAL 256 CO 0.32 -0.27 1.19 1.51 -0.31 0.00 0.00 175.10 177.54 3krz s ASP 257 N -1.03 6.78 -0.11 4.85 -4.77 -1.26 -5.02 116.67 116.10 3krz s ASP 257 Ca -0.11 1.06 -0.01 0.00 -3.30 0.00 0.00 52.55 50.19 3krz s ASP 257 Cb -0.06 -2.54 -0.02 0.00 -1.09 0.00 0.00 42.92 39.21 3krz s ASP 257 CO 0.02 -1.02 -0.09 -0.63 0.70 0.00 0.00 175.17 174.15 3krz s ILE 258 N 4.08 3.43 -0.21 2.11 1.01 -1.26 -5.08 121.20 125.28 3krz s ILE 258 Ca 0.51 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 3krz s ILE 258 Cb -0.14 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 3krz s ILE 258 CO 0.21 0.54 1.56 0.21 0.00 0.00 0.00 174.94 177.45 3krz s ASN 259 N -0.01 6.49 -0.16 3.58 2.47 -1.26 -5.00 114.94 121.04 3krz s ASN 259 Ca -0.02 1.64 -0.06 0.00 0.42 0.00 0.00 52.86 54.84 3krz s ASN 259 Cb -0.14 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.09 3krz s ASN 259 CO 0.03 -1.16 0.05 -0.76 -3.72 0.00 0.00 177.10 171.54 3krz s LEU 260 N 4.85 3.80 0.08 3.21 1.43 -1.26 -4.96 118.68 125.83 3krz s LEU 260 Ca 0.69 0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.64 3krz s LEU 260 Cb -0.25 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.11 3krz s LEU 260 CO 0.27 0.22 0.83 -0.72 0.23 0.00 0.00 176.35 177.19 3krz s TYR 261 N 0.06 -0.33 0.23 0.29 -0.85 -1.26 -5.07 117.35 110.42 3krz s TYR 261 Ca 0.05 0.12 -0.32 0.00 -0.52 0.00 0.00 57.07 56.40 3krz s TYR 261 Cb -0.12 0.58 -0.12 0.00 0.38 0.00 0.00 41.96 42.67 3krz s TYR 261 CO 0.01 -0.72 1.66 -2.30 -1.52 0.00 0.00 175.55 172.68 3krz n PRO 262 N -0.34 2.66 -1.04 -3.49 -0.02 -1.26 -1.82 135.00 129.69 3krz n PRO 262 Ca -0.10 0.96 -0.01 0.00 -2.02 0.00 0.00 63.50 62.33 3krz n PRO 262 Cb 0.62 -2.77 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 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 3.35 0.51 0.08 -1.23 0.00 -0.69 -4.93 105.19 102.29 3krz n GLY 263 Ca 0.14 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.92 0.38 0.19 1.61 0.18 -0.76 -1.37 117.16 114.48 3krz n TYR 264 Ca -0.01 0.19 0.04 0.00 1.88 0.00 0.00 57.90 60.00 3krz n TYR 264 Cb 0.07 -0.80 0.07 0.00 -0.38 0.00 0.00 39.34 38.29 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 -1.89 1.16 0.03 -3.48 6.02 -1.26 -4.71 117.38 113.25 3krz n GLN 265 Ca -0.00 -1.35 -0.07 0.00 -0.01 0.00 0.00 57.00 55.58 3krz n GLN 265 Cb 0.05 -1.19 0.11 0.00 1.02 0.00 0.00 30.24 30.24 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 1.70 1.32 -0.41 5.09 2.07 -1.49 -2.86 116.25 121.67 3krz h VAL 266 Ca 0.00 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.80 3krz h VAL 266 Cb 0.48 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3krz h VAL 266 CO 0.00 0.52 0.15 0.11 0.02 0.00 0.00 177.57 178.37 3krz h LYS 267 N 0.36 0.59 -0.48 1.57 1.57 -1.84 -0.81 116.57 117.54 3krz h LYS 267 Ca 0.02 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3krz h LYS 267 Cb 0.98 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3krz h LYS 267 CO 0.09 0.51 0.13 1.88 -0.57 0.00 0.00 179.45 181.48 3krz h TYR 268 N 0.58 0.79 -0.67 -1.35 0.05 -1.85 -1.26 116.97 113.26 3krz h TYR 268 Ca 0.14 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 3krz h TYR 268 Cb 0.15 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 3krz h TYR 268 CO 0.01 0.70 0.28 0.00 -1.05 0.00 0.00 178.16 178.10 3krz h ALA 269 N 0.99 0.87 -0.33 3.88 0.00 -1.24 -1.64 119.26 121.80 3krz h ALA 269 Ca 0.15 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3krz h ALA 269 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3krz h ALA 269 CO -0.00 0.48 -0.22 1.49 0.00 0.00 0.00 179.25 181.00 3krz h GLU 270 N 0.95 0.73 -0.38 0.00 4.81 -0.84 -1.86 114.58 117.99 3krz h GLU 270 Ca 0.23 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3krz h GLU 270 Cb 0.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3krz h GLU 270 CO -0.02 0.96 0.23 1.15 -0.73 0.00 0.00 179.01 180.60 3krz h THR 271 N 0.50 1.13 -0.14 0.32 2.02 -1.11 -0.49 112.91 115.14 3krz h THR 271 Ca 0.07 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 3krz h THR 271 Cb 0.78 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3krz h THR 271 CO 0.06 0.13 0.08 0.40 0.37 0.00 0.00 175.52 176.56 3krz h ILE 272 N 0.50 1.07 -0.37 3.11 2.04 -1.31 0.67 117.51 123.22 3krz h ILE 272 Ca 0.14 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.85 3krz h ILE 272 Cb 0.00 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3krz h ILE 272 CO -0.03 0.07 0.13 0.50 0.00 0.00 0.00 178.15 178.82 3krz h LYS 273 N 0.14 0.28 -0.01 2.37 3.64 -1.13 0.83 116.57 122.69 3krz h LYS 273 Ca 0.05 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 3krz h LYS 273 Cb 0.04 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3krz h LYS 273 CO -0.01 0.18 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.80 3krz h LYS 274 N 0.29 0.25 0.00 1.90 1.63 -1.00 -1.38 116.57 118.27 3krz h LYS 274 Ca 0.17 -0.25 -0.20 0.00 -0.85 0.00 0.00 60.65 59.52 3krz h LYS 274 Cb 0.14 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 3krz h LYS 274 CO -0.17 0.95 -0.87 0.00 -3.45 0.00 0.00 179.45 175.91 3krz h ARG 275 N -0.35 0.19 0.00 1.90 3.08 -0.82 -3.28 114.38 115.10 3krz h ARG 275 Ca -0.04 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3krz h ARG 275 Cb 1.06 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3krz h ARG 275 CO 0.07 0.94 -1.07 0.00 -1.07 0.00 0.00 179.97 178.85 3krz n ASN 277 N -1.57 -3.74 -4.04 0.00 5.15 -0.52 -4.99 115.26 105.53 3krz n ASN 277 Ca 0.03 -0.83 -0.11 0.00 -0.60 0.00 0.00 54.58 53.07 3krz n ASN 277 Cb 0.35 -4.27 -0.11 0.00 -0.53 0.00 0.00 39.78 35.22 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 -3.52 0.40 0.50 -1.44 2.07 -1.20 -5.07 121.20 112.94 3krz s ILE 278 Ca 0.24 -1.13 -0.22 0.00 -1.41 0.00 0.00 60.65 58.13 3krz s ILE 278 Cb -0.06 -0.62 -0.06 0.00 0.13 0.00 0.00 42.46 41.85 3krz s ILE 278 CO 0.80 -0.49 1.27 -0.54 -1.91 0.00 0.00 174.94 174.07 3krz s LYS 279 N -1.83 3.44 0.11 3.50 1.02 -1.26 -4.31 119.74 120.41 3krz s LYS 279 Ca -0.09 2.03 0.03 0.00 0.02 0.00 0.00 55.97 57.95 3krz s LYS 279 Cb -0.08 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 3krz s LYS 279 CO -0.01 -0.88 -0.08 0.95 -0.92 0.00 0.00 175.35 174.41 3krz s THR 280 N -1.41 0.82 0.01 2.17 -4.23 -1.26 -1.18 115.64 110.55 3krz s THR 280 Ca 0.67 -1.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.37 3krz s THR 280 Cb -0.35 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 3krz s THR 280 CO 0.42 -0.78 -0.18 -0.55 -0.54 0.00 0.00 174.62 172.99 3krz s SER 281 N -2.92 3.77 -0.02 3.99 0.15 -0.45 -0.13 113.70 118.09 3krz s SER 281 Ca 0.11 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 3krz s SER 281 Cb 0.03 -0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 3krz s SER 281 CO -0.03 0.29 0.06 0.00 1.20 0.00 0.00 173.24 174.76 3krz s ALA 282 N -0.83 3.51 -0.01 5.45 0.00 -0.65 -2.04 121.76 127.20 3krz s ALA 282 Ca 0.13 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 3krz s ALA 282 Cb -0.10 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.50 3krz s ALA 282 CO 0.03 0.67 0.38 0.54 0.00 0.00 0.00 175.76 177.38 3krz s VAL 283 N -1.13 0.05 0.00 0.00 0.11 -1.26 -0.34 120.40 117.83 3krz s VAL 283 Ca 0.21 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 3krz s VAL 283 Cb -0.12 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 3krz s VAL 283 CO 0.11 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.27 3krz n GLY 284 N 1.11 2.21 2.98 6.54 0.00 -1.26 -4.34 105.19 112.42 3krz n GLY 284 Ca -0.21 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.55 -4.64 0.99 4.77 -1.26 -1.70 117.00 112.62 3krz n LEU 285 Ca 0.00 -0.26 -0.38 0.00 -0.03 0.00 0.00 56.01 55.34 3krz n LEU 285 Cb 0.00 -2.93 -0.09 0.00 -2.33 0.00 0.00 43.42 38.07 3krz n LEU 285 CO 0.00 0.18 -0.04 -0.63 -1.33 0.00 0.00 177.39 175.57 3krz s ILE 286 N -3.15 5.26 0.00 -0.08 1.01 -1.26 -4.11 121.20 118.87 3krz s ILE 286 Ca 0.28 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.35 3krz s ILE 286 Cb -0.12 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3krz s ILE 286 CO 0.34 0.26 0.00 0.35 0.00 0.00 0.00 174.94 175.89 3krz n THR 287 N 4.63 0.00 -4.15 2.92 -2.24 -1.26 -4.74 114.28 109.43 3krz n THR 287 Ca -0.11 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 3krz n THR 287 Cb 0.51 0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.59 4.41 0.34 4.28 -4.23 -1.26 -5.00 115.64 113.58 3krz s THR 288 Ca 0.00 -0.62 0.03 0.00 -1.18 0.00 0.00 61.69 59.91 3krz s THR 288 Cb 0.00 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 71.09 3krz s THR 288 CO 0.00 0.28 1.96 -0.61 -0.54 0.00 0.00 174.62 175.71 3krz h GLN 289 N 3.92 0.87 0.08 3.99 4.15 -1.99 -2.09 115.11 124.04 3krz h GLN 289 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3krz h GLN 289 Cb 1.17 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 3krz h GLN 289 CO 0.61 0.58 -0.08 1.49 -1.93 0.00 0.00 178.83 179.50 3krz h GLU 290 N 0.90 -0.17 -0.60 1.69 4.81 -1.99 0.06 114.58 119.28 3krz h GLU 290 Ca 0.32 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 3krz h GLU 290 Cb 0.12 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3krz h GLU 290 CO -0.10 -0.11 0.01 1.25 -0.73 0.00 0.00 179.01 179.32 3krz h LEU 291 N -0.18 1.03 -0.84 1.64 5.85 -1.95 -1.42 115.31 119.44 3krz h LEU 291 Ca 0.01 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3krz h LEU 291 Cb 0.17 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3krz h LEU 291 CO -0.03 1.07 0.52 0.00 -0.34 0.00 0.00 178.44 179.67 3krz h ALA 292 N 1.03 1.07 -0.53 1.25 0.00 -1.16 -0.95 119.26 119.97 3krz h ALA 292 Ca 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3krz h ALA 292 Cb 0.55 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3krz h ALA 292 CO 0.03 0.52 0.02 0.93 0.00 0.00 0.00 179.25 180.75 3krz h GLU 293 N 1.15 0.91 -0.49 0.00 5.08 -0.80 -2.51 114.58 117.93 3krz h GLU 293 Ca 0.30 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3krz h GLU 293 Cb -0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3krz h GLU 293 CO -0.06 0.92 0.30 1.49 -1.00 0.00 0.00 179.01 180.67 3krz h GLU 294 N 0.79 0.65 -0.22 2.33 4.22 -0.83 0.63 114.58 122.15 3krz h GLU 294 Ca 0.15 -0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.57 3krz h GLU 294 Cb 0.50 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3krz h GLU 294 CO 0.02 0.46 0.06 0.82 -2.18 0.00 0.00 179.01 178.19 3krz h ILE 295 N 0.65 0.92 -0.25 2.32 2.04 -1.05 -0.86 117.51 121.28 3krz h ILE 295 Ca 0.18 -0.05 -0.17 0.00 1.00 0.00 0.00 64.86 65.82 3krz h ILE 295 Cb -0.03 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3krz h ILE 295 CO -0.03 0.03 -0.49 -0.07 0.00 0.00 0.00 178.15 177.58 3krz h LEU 296 N 0.15 0.86 -0.61 1.44 3.38 -1.32 -0.73 115.31 118.48 3krz h LEU 296 Ca 0.10 -0.54 -0.15 0.00 0.09 0.00 0.00 57.88 57.38 3krz h LEU 296 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3krz h LEU 296 CO -0.12 1.24 -0.56 0.28 0.09 0.00 0.00 178.44 179.38 3krz h SER 297 N 0.52 0.43 -0.09 -0.43 0.02 -0.77 -2.16 113.55 111.07 3krz h SER 297 Ca 0.01 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3krz h SER 297 Cb 1.10 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3krz h SER 297 CO 0.11 0.90 0.00 0.59 -1.14 0.00 0.00 176.83 177.29 3krz n ASN 298 N -3.92 0.46 -3.78 3.07 5.03 -0.34 -4.91 115.26 110.87 3krz n ASN 298 Ca -0.03 -2.00 -0.28 0.00 0.87 0.00 0.00 54.58 53.14 3krz n ASN 298 Cb 0.60 -0.06 0.04 0.00 -1.02 0.00 0.00 39.78 39.34 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 -0.25 -6.25 0.10 3.52 1.02 -0.81 -4.90 120.64 113.07 3krz n GLU 299 Ca 0.03 0.68 0.01 0.00 -0.02 0.00 0.00 57.16 57.85 3krz n GLU 299 Cb 0.07 -5.62 -0.02 0.00 -0.02 0.00 0.00 31.44 25.85 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 -2.24 0.00 -2.91 3.49 3.08 -1.35 -3.48 114.38 110.97 3krz h ARG 300 Ca -0.57 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.54 3krz h ARG 300 Cb 1.37 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.35 3krz h ARG 300 CO 0.63 0.50 0.26 0.00 -1.07 0.00 0.00 179.97 180.29 3krz s ALA 301 N -2.92 -1.38 -0.14 0.04 0.00 -1.24 -2.46 121.76 113.67 3krz s ALA 301 Ca 0.02 -0.02 0.17 0.00 0.00 0.00 0.00 51.96 52.12 3krz s ALA 301 Cb 0.08 0.82 -0.24 0.00 0.00 0.00 0.00 23.12 23.78 3krz s ALA 301 CO 0.77 -0.96 0.30 -0.25 0.00 0.00 0.00 175.76 175.62 3krz n ASP 302 N -0.43 0.29 -4.22 0.00 8.00 0.82 -4.54 116.55 116.47 3krz n ASP 302 Ca -0.08 0.14 -0.20 0.00 0.71 0.00 0.00 54.79 55.36 3krz n ASP 302 Cb 0.61 0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 42.30 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 -5.62 2.30 -0.20 0.64 1.43 -1.03 -4.88 118.68 111.32 3krz s LEU 303 Ca -0.08 -0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 52.33 3krz s LEU 303 Cb 0.07 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.64 3krz s LEU 303 CO 0.83 -0.04 -0.07 -0.69 0.23 0.00 0.00 176.35 176.62 3krz s VAL 304 N -1.33 3.29 -0.14 -1.59 1.01 -0.22 -1.63 120.40 119.79 3krz s VAL 304 Ca 0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 3krz s VAL 304 Cb -0.09 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3krz s VAL 304 CO 0.03 0.45 0.16 0.00 0.00 0.00 0.00 175.10 175.74 3krz s ALA 305 N 1.16 3.81 -0.10 5.51 0.00 0.54 -1.49 121.76 131.19 3krz s ALA 305 Ca 0.02 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3krz s ALA 305 Cb -0.14 -2.06 -0.00 0.00 0.00 0.00 0.00 23.12 20.91 3krz s ALA 305 CO -0.02 0.46 -0.22 -0.51 0.00 0.00 0.00 175.76 175.48 3krz s LEU 306 N -0.59 2.20 0.00 0.00 1.43 -0.18 -4.47 118.68 117.07 3krz s LEU 306 Ca 0.14 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 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 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.39 3krz n GLY 307 N 3.45 -0.03 0.27 -3.19 0.00 -1.26 -1.07 105.19 103.36 3krz n GLY 307 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 0.23 -0.76 1.61 3.08 -1.95 -0.57 114.38 116.02 3krz h ARG 308 Ca 0.00 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3krz h ARG 308 Cb 0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3krz h ARG 308 CO 0.00 0.22 0.50 1.49 -1.07 0.00 0.00 179.97 181.12 3krz h GLU 309 N 0.23 0.89 0.00 0.04 4.57 -1.88 -0.86 114.58 117.58 3krz h GLU 309 Ca 0.06 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3krz h GLU 309 Cb 0.10 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3krz h GLU 309 CO -0.00 0.59 0.00 -0.07 -1.18 0.00 0.00 179.01 178.35 3krz h LEU 310 N 0.92 0.00 0.12 1.64 3.38 -1.31 0.14 115.31 120.20 3krz h LEU 310 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3krz h LEU 310 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3krz h LEU 310 CO -0.09 0.00 -0.06 -0.07 0.09 0.00 0.00 178.44 178.31 3krz h LEU 311 N 0.00 -0.14 0.00 1.67 3.38 -0.86 -3.22 115.31 116.13 3krz h LEU 311 Ca 0.00 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3krz h LEU 311 Cb 0.84 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3krz h LEU 311 CO 0.00 0.23 -0.41 0.08 0.09 0.00 0.00 178.44 178.44 3krz h ARG 312 N -0.54 0.00 -2.05 1.13 0.11 -1.32 -3.40 114.38 108.31 3krz h ARG 312 Ca -0.02 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.50 3krz h ARG 312 Cb 0.43 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 31.11 3krz h ARG 312 CO 0.03 0.14 -1.03 -1.71 0.10 0.00 0.00 179.97 177.50 3krz n ASN 313 N -3.04 0.63 0.29 0.08 5.15 0.49 -4.99 115.26 113.87 3krz n ASN 313 Ca 0.02 -2.78 0.18 0.00 -0.60 0.00 0.00 54.58 51.40 3krz n ASN 313 Cb 0.61 -0.64 0.85 0.00 -0.53 0.00 0.00 39.78 40.06 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 4.12 0.00 -0.62 1.20 0.13 -1.76 -2.53 132.00 132.54 3krz h PRO 314 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3krz h PRO 314 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3krz h PRO 314 CO 0.51 0.02 0.00 0.66 -0.23 0.00 0.00 178.00 178.96 3krz n TYR 315 N -3.16 1.87 -0.33 1.56 4.02 -1.26 -4.51 117.16 115.36 3krz n TYR 315 Ca -0.01 -0.66 0.11 0.00 -0.01 0.00 0.00 57.90 57.33 3krz n TYR 315 Cb 0.23 -0.44 0.23 0.00 -0.02 0.00 0.00 39.34 39.34 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 3.81 -0.13 -0.47 -0.72 7.01 -1.68 0.41 115.95 124.17 3krz h TRP 316 Ca 0.00 0.07 -0.05 0.00 2.11 0.00 0.00 58.89 61.02 3krz h TRP 316 Cb 1.81 0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 29.06 3krz h TRP 316 CO 0.98 -0.39 0.11 0.28 -2.79 0.00 0.00 178.44 176.64 3krz h VAL 317 N 0.03 1.24 -0.96 2.65 2.07 -1.83 -2.69 116.25 116.76 3krz h VAL 317 Ca 0.54 -0.83 0.13 0.00 0.82 0.00 0.00 66.70 67.36 3krz h VAL 317 Cb 1.03 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 3krz h VAL 317 CO -0.88 0.30 0.61 -0.07 0.02 0.00 0.00 177.57 177.54 3krz h LEU 318 N 0.64 0.81 -2.15 2.57 3.38 -0.76 -0.10 115.31 119.70 3krz h LEU 318 Ca 0.15 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3krz h LEU 318 Cb 0.33 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3krz h LEU 318 CO 0.00 0.42 -0.06 0.45 0.09 0.00 0.00 178.44 179.34 3krz h HIS 319 N 0.86 0.00 0.00 1.13 3.86 -1.10 -1.98 115.15 117.92 3krz h HIS 319 Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 3krz h HIS 319 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3krz h HIS 319 CO -0.00 0.06 -0.14 1.79 0.86 0.00 0.00 177.93 180.50 3krz h THR 320 N 0.00 0.00 -3.98 2.45 1.35 -0.98 -3.47 112.91 108.29 3krz h THR 320 Ca -0.00 -0.75 -0.50 0.00 -0.55 0.00 0.00 66.41 64.61 3krz h THR 320 Cb 0.26 1.67 0.05 0.00 -1.73 0.00 0.00 68.15 68.40 3krz h THR 320 CO 0.01 0.00 0.47 -0.31 -0.25 0.00 0.00 175.52 175.44 3krz s TYR 321 N -3.18 3.02 -1.81 4.73 2.02 -0.75 -4.92 117.35 116.47 3krz s TYR 321 Ca 0.08 1.57 0.15 0.00 -0.37 0.00 0.00 57.07 58.50 3krz s TYR 321 Cb 0.09 -3.31 0.16 0.00 -0.40 0.00 0.00 41.96 38.49 3krz s TYR 321 CO 0.66 -1.22 1.02 0.25 -1.57 0.00 0.00 175.55 174.69 3krz n THR 322 N -0.26 0.12 -3.93 -0.71 -2.24 -1.26 -4.96 114.28 101.04 3krz n THR 322 Ca 0.06 -0.56 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 3krz n THR 322 Cb 0.48 1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 69.80 3krz n THR 322 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3krz s SER 323 N -1.23 0.16 0.50 3.42 0.15 -1.26 -5.04 113.70 110.40 3krz s SER 323 Ca 0.19 -0.24 0.24 0.00 0.70 0.00 0.00 55.95 56.85 3krz s SER 323 Cb 0.13 0.04 1.34 0.00 -1.71 0.00 0.00 66.02 65.83 3krz s SER 323 CO 0.19 -0.13 2.05 0.07 1.20 0.00 0.00 173.24 176.62 3krz h LYS 324 N 5.44 0.00 0.00 5.44 2.10 -1.92 -2.38 116.57 125.25 3krz h LYS 324 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3krz h LYS 324 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3krz h LYS 324 CO 0.46 0.14 0.00 0.93 -2.00 0.00 0.00 179.45 178.98 3krz h GLU 325 N 0.00 0.00 0.00 0.07 3.07 -1.96 -1.89 114.58 113.87 3krz h GLU 325 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3krz h GLU 325 Cb 0.33 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3krz h GLU 325 CO 0.02 0.00 -0.06 -0.44 -1.40 0.00 0.00 179.01 177.13 3krz h ASP 326 N 0.00 0.00 -4.27 1.42 3.32 -1.86 -3.47 116.42 111.56 3krz h ASP 326 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 3krz h ASP 326 Cb 0.24 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.85 3krz h ASP 326 CO 0.00 0.03 0.38 0.26 -1.72 0.00 0.00 179.24 178.19 3krz s TRP 327 N -3.20 3.26 0.27 4.55 0.52 -0.71 -5.00 118.94 118.62 3krz s TRP 327 Ca 0.07 1.43 -0.30 0.00 0.02 0.00 0.00 56.10 57.32 3krz s TRP 327 Cb 0.05 -2.86 -0.13 0.00 -1.15 0.00 0.00 33.47 29.37 3krz s TRP 327 CO 0.68 -0.89 1.29 -2.30 0.02 0.00 0.00 176.95 175.75 3krz n PRO 328 N -2.39 1.87 -0.35 4.98 -0.02 -1.26 -4.81 135.00 133.01 3krz n PRO 328 Ca 0.07 0.66 0.10 0.00 -2.02 0.00 0.00 63.50 62.31 3krz n PRO 328 Cb 0.54 -2.24 0.28 0.00 -0.02 0.00 0.00 33.50 32.05 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 3.37 0.87 0.00 -0.52 1.63 -1.94 -0.65 116.57 119.33 3krz h LYS 329 Ca -0.44 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 3krz h LYS 329 Cb 1.29 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.73 3krz h LYS 329 CO 0.69 0.58 -0.02 1.96 -3.45 0.00 0.00 179.45 179.21 3krz h GLN 330 N 0.90 0.00 -0.17 1.90 7.50 -2.01 -2.72 115.11 120.51 3krz h GLN 330 Ca 0.53 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.68 3krz h GLN 330 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.18 3krz h GLN 330 CO -0.30 0.02 0.00 0.66 -1.50 0.00 0.00 178.83 177.71 3krz n TYR 331 N -3.52 0.22 0.28 2.96 4.01 -0.28 -4.71 117.16 116.12 3krz n TYR 331 Ca -0.03 -0.34 0.14 0.00 -0.16 0.00 0.00 57.90 57.52 3krz n TYR 331 Cb 0.12 -0.02 0.80 0.00 -0.31 0.00 0.00 39.34 39.93 3krz n TYR 331 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 3krz h GLU 332 N 1.47 0.00 0.00 -0.72 4.11 -1.18 0.67 114.58 118.94 3krz h GLU 332 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3krz h GLU 332 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3krz h GLU 332 CO 0.00 0.08 0.00 0.54 0.07 0.00 0.00 179.01 179.70 3krz n ARG 333 N -3.58 0.15 0.00 1.06 5.12 -1.26 -2.12 116.66 116.03 3krz n ARG 333 Ca -0.02 0.52 0.12 0.00 -1.93 0.00 0.00 57.85 56.54 3krz n ARG 333 Cb 0.20 -1.88 0.26 0.00 -1.16 0.00 0.00 32.46 29.89 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 -1.75 3.43 -1.72 7.54 0.00 0.23 -4.93 120.51 123.31 3krz n ALA 334 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 3krz n ALA 334 Cb 0.13 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 3krz n ALA 334 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3krz n PHE 335 N -1.03 2.74 -1.05 0.00 7.35 -0.90 -5.19 117.46 119.38 3krz n PHE 335 Ca 0.09 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 3krz n PHE 335 Cb 0.35 -2.65 0.00 0.00 0.35 0.00 0.00 39.48 37.53 3krz n PHE 335 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17