#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 0.67 -0.21 2.46 6.09 -2.00 -0.95 117.51 123.57 3krz h ILE 3 Ca 0.00 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.55 3krz h ILE 3 Cb 0.00 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 38.27 3krz h ILE 3 CO 0.00 0.00 0.20 -0.07 -3.07 0.00 0.00 178.15 175.21 3krz h LEU 4 N 0.00 0.00 -1.14 2.19 3.38 -1.94 -2.72 115.31 115.08 3krz h LEU 4 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3krz h LEU 4 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3krz h LEU 4 CO -0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 3krz n HIS 5 N -3.95 0.12 -2.87 1.13 8.25 -0.36 -0.53 115.22 117.01 3krz n HIS 5 Ca 0.02 -0.06 -0.40 0.00 -0.26 0.00 0.00 57.72 57.02 3krz n HIS 5 Cb 0.33 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.88 4.58 0.88 -0.41 -1.94 -1.03 -4.60 119.30 114.91 3krz s MET 6 Ca 0.35 1.23 -0.11 0.00 -1.71 0.00 0.00 55.69 55.45 3krz s MET 6 Cb 0.19 -3.37 0.12 0.00 2.01 0.00 0.00 34.83 33.78 3krz s MET 6 CO 0.30 0.25 1.10 -2.14 -0.01 0.00 0.00 175.02 174.51 3krz s PRO 7 N -0.02 1.41 -0.08 2.03 0.02 -1.24 -3.93 135.00 133.20 3krz s PRO 7 Ca 0.42 1.04 -0.01 0.00 0.02 0.00 0.00 61.00 62.47 3krz s PRO 7 Cb -0.22 -1.81 0.03 0.00 0.02 0.00 0.00 34.50 32.52 3krz s PRO 7 CO 0.26 -2.20 -0.01 -1.17 -0.33 0.00 0.00 177.00 173.55 3krz s LEU 8 N -6.24 0.67 -0.20 -5.54 2.96 -0.17 -4.94 118.68 105.23 3krz s LEU 8 Ca 0.63 -0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 54.30 3krz s LEU 8 Cb -0.19 -0.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.96 3krz s LEU 8 CO 0.57 -0.18 0.22 -0.75 -1.32 0.00 0.00 176.35 174.89 3krz s LYS 9 N 1.94 4.19 -0.15 1.98 2.20 -1.26 -0.58 119.74 128.05 3krz s LYS 9 Ca 0.05 -0.08 -0.00 0.00 -0.36 0.00 0.00 55.97 55.58 3krz s LYS 9 Cb -0.12 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 32.77 3krz s LYS 9 CO -0.06 0.20 -0.08 0.42 -0.36 0.00 0.00 175.35 175.46 3krz s ILE 10 N 0.64 1.23 0.00 5.43 1.01 0.13 -4.99 121.20 124.64 3krz s ILE 10 Ca 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3krz s ILE 10 Cb -0.13 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.06 3krz s ILE 10 CO 0.02 0.29 0.00 0.29 0.00 0.00 0.00 174.94 175.54 3krz n LYS 11 N 4.86 0.00 -0.06 2.79 4.76 -1.26 -1.35 118.16 127.90 3krz n LYS 11 Ca -0.13 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.39 3krz n LYS 11 Cb 0.49 0.00 0.36 0.00 -1.84 0.00 0.00 35.03 34.04 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 2.73 1.06 -4.53 4.39 9.92 -0.58 -4.86 116.55 124.70 3krz n ASP 12 Ca 0.00 -1.70 -0.35 0.00 -0.53 0.00 0.00 54.79 52.21 3krz n ASP 12 Cb 0.00 -0.08 -0.11 0.00 -0.64 0.00 0.00 41.12 40.28 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 -1.83 4.34 -0.29 0.53 -1.09 -0.45 -5.07 121.20 117.33 3krz s ILE 13 Ca 0.27 -0.18 -0.09 0.00 -2.23 0.00 0.00 60.65 58.41 3krz s ILE 13 Cb 0.14 -2.96 -0.01 0.00 -1.58 0.00 0.00 42.46 38.04 3krz s ILE 13 CO 0.21 0.43 0.13 -0.89 -1.23 0.00 0.00 174.94 173.59 3krz s THR 14 N 0.78 4.51 -0.10 2.92 2.01 -1.26 -0.70 115.64 123.80 3krz s THR 14 Ca 0.02 -0.36 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 3krz s THR 14 Cb -0.14 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3krz s THR 14 CO 0.02 0.14 0.62 -0.63 -0.69 0.00 0.00 174.62 174.08 3krz s ILE 15 N 1.61 5.09 -0.37 1.82 1.01 0.25 -4.90 121.20 125.71 3krz s ILE 15 Ca 0.05 1.25 0.27 0.00 0.00 0.00 0.00 60.65 62.21 3krz s ILE 15 Cb -0.17 -3.95 0.33 0.00 0.01 0.00 0.00 42.46 38.68 3krz s ILE 15 CO 0.05 0.25 1.77 0.07 0.00 0.00 0.00 174.94 177.09 3krz h LYS 16 N 6.85 0.00 0.00 2.79 2.10 -1.86 -0.43 116.57 126.03 3krz h LYS 16 Ca -0.39 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.06 3krz h LYS 16 Cb 1.18 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.47 3krz h LYS 16 CO 0.76 0.00 -0.04 0.27 -2.00 0.00 0.00 179.45 178.44 3krz n ASN 17 N -2.74 -1.40 -1.77 7.07 0.23 -1.26 -3.63 115.26 111.76 3krz n ASN 17 Ca 0.03 -2.61 0.08 0.00 -0.53 0.00 0.00 54.58 51.56 3krz n ASN 17 Cb 0.39 2.52 0.39 0.00 -2.08 0.00 0.00 39.78 41.00 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 -0.50 4.45 -3.76 -3.83 5.12 0.31 -4.63 116.66 113.83 3krz n ARG 18 Ca -0.01 -3.07 -0.36 0.00 -1.93 0.00 0.00 57.85 52.47 3krz n ARG 18 Cb 0.52 -2.13 -0.11 0.00 -1.16 0.00 0.00 32.46 29.58 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 -2.44 4.81 -0.10 0.55 -1.09 -1.26 -0.78 121.20 120.88 3krz s ILE 19 Ca 0.53 -0.01 -0.00 0.00 -2.23 0.00 0.00 60.65 58.94 3krz s ILE 19 Cb 0.39 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 3krz s ILE 19 CO 0.19 0.34 -0.07 -0.32 -1.23 0.00 0.00 174.94 173.86 3krz s MET 20 N 1.31 3.04 -0.35 2.79 -2.45 -0.17 -1.94 119.30 121.51 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 -2.68 0.02 0.00 1.25 0.00 0.00 34.83 33.28 3krz s MET 20 CO 0.05 0.52 1.07 1.41 1.05 0.00 0.00 175.02 179.13 3krz s MET 21 N -0.42 3.99 0.41 4.11 1.75 0.43 -1.23 119.30 128.35 3krz s MET 21 Ca 0.06 0.94 -0.26 0.00 -1.25 0.00 0.00 55.69 55.18 3krz s MET 21 Cb -0.12 -3.77 -0.09 0.00 2.84 0.00 0.00 34.83 33.68 3krz s MET 21 CO 0.02 -0.99 1.39 0.45 -0.65 0.00 0.00 175.02 175.24 3krz s SER 22 N 1.82 6.17 0.23 1.11 0.15 -0.44 -1.94 113.70 120.80 3krz s SER 22 Ca 0.45 2.85 -0.31 0.00 0.70 0.00 0.00 55.95 59.64 3krz s SER 22 Cb -0.11 -2.65 -0.11 0.00 -1.71 0.00 0.00 66.02 61.43 3krz s SER 22 CO 0.19 -0.97 1.65 -2.16 1.20 0.00 0.00 173.24 173.15 3krz s PRO 23 N -2.27 4.14 -0.15 5.44 0.04 -1.24 -4.81 135.00 136.16 3krz s PRO 23 Ca 0.57 2.55 -0.04 0.00 0.04 0.00 0.00 61.00 64.12 3krz s PRO 23 Cb -0.42 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.10 3krz s PRO 23 CO 0.55 -0.68 0.11 -1.64 0.04 0.00 0.00 177.00 175.37 3krz s MET 24 N 0.65 0.05 0.24 4.56 -1.94 -1.26 -4.86 119.30 116.73 3krz s MET 24 Ca 0.70 0.07 -0.31 0.00 -1.71 0.00 0.00 55.69 54.44 3krz s MET 24 Cb -0.48 -1.44 -0.14 0.00 2.01 0.00 0.00 34.83 34.79 3krz s MET 24 CO 0.37 -0.59 1.38 0.00 -0.01 0.00 0.00 175.02 176.17 3krz n MET 26 N 1.97 2.80 -4.07 0.00 2.81 -1.26 -5.00 117.12 114.36 3krz n MET 26 Ca 0.12 -0.12 -0.31 0.00 -1.81 0.00 0.00 57.70 55.57 3krz n MET 26 Cb 0.31 -1.09 -0.01 0.00 -0.71 0.00 0.00 33.22 31.72 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 -1.09 -1.81 -0.27 2.03 4.01 -1.26 -4.83 117.16 113.94 3krz n TYR 27 Ca 0.03 0.80 0.00 0.00 -0.16 0.00 0.00 57.90 58.57 3krz n TYR 27 Cb 0.20 -3.43 0.00 0.00 -0.31 0.00 0.00 39.34 35.80 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 -2.81 0.99 -4.90 7.72 7.64 -1.02 -4.85 113.62 116.39 3krz n SER 28 Ca -0.07 -1.26 -0.29 0.00 1.01 0.00 0.00 58.87 58.26 3krz n SER 28 Cb 0.57 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.26 3.01 1.01 -0.43 0.00 -0.28 -4.81 121.76 120.01 3krz s ALA 29 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 3krz s ALA 29 Cb 0.00 -2.89 0.20 0.00 0.00 0.00 0.00 23.12 20.43 3krz s ALA 29 CO 0.00 -1.07 1.08 -1.54 0.00 0.00 0.00 175.76 174.23 3krz s SER 30 N -4.36 2.43 0.05 0.00 1.04 -1.15 -4.45 113.70 107.27 3krz s SER 30 Ca 0.57 1.39 0.12 0.00 0.48 0.00 0.00 55.95 58.51 3krz s SER 30 Cb -0.11 -2.07 0.52 0.00 0.10 0.00 0.00 66.02 64.46 3krz s SER 30 CO 0.49 -3.28 1.37 0.35 0.98 0.00 0.00 173.24 173.16 3krz n THR 31 N -4.29 1.27 1.00 2.02 -2.24 -1.22 -1.44 114.28 109.39 3krz n THR 31 Ca 0.05 0.35 0.10 0.00 -2.27 0.00 0.00 64.05 62.29 3krz n THR 31 Cb 0.56 -1.21 0.32 0.00 -2.10 0.00 0.00 70.33 67.89 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 -1.64 2.03 -0.21 3.42 8.00 -1.26 -4.94 116.55 121.95 3krz n ASP 32 Ca 0.02 -1.80 -0.03 0.00 0.71 0.00 0.00 54.79 53.69 3krz n ASP 32 Cb 0.12 -0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 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 1.19 0.58 3.78 0.44 0.00 -0.52 -4.84 105.19 105.83 3krz n GLY 33 Ca 0.16 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.48 4.33 0.86 1.61 1.00 -1.26 -1.33 119.30 123.04 3krz s MET 34 Ca 0.00 0.84 -0.12 0.00 0.00 0.00 0.00 55.69 56.41 3krz s MET 34 Cb 0.00 -3.29 0.11 0.00 0.00 0.00 0.00 34.83 31.64 3krz s MET 34 CO 0.00 0.49 1.12 -1.25 0.00 0.00 0.00 175.02 175.38 3krz s PRO 35 N -0.65 1.58 0.06 2.03 0.04 -1.26 -2.92 135.00 133.88 3krz s PRO 35 Ca 0.32 0.43 0.01 0.00 0.04 0.00 0.00 61.00 61.80 3krz s PRO 35 Cb -0.20 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 3krz s PRO 35 CO 0.20 -1.93 0.05 0.27 0.04 0.00 0.00 177.00 175.64 3krz n ASN 36 N -3.61 -0.14 0.19 6.66 0.23 -1.26 -4.94 115.26 112.40 3krz n ASN 36 Ca 0.07 -1.40 0.16 0.00 -0.53 0.00 0.00 54.58 52.88 3krz n ASN 36 Cb 0.58 0.32 0.80 0.00 -2.08 0.00 0.00 39.78 39.40 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 0.38 0.00 -0.20 0.53 3.32 -1.98 -1.57 116.42 116.90 3krz h ASP 37 Ca -0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3krz h ASP 37 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3krz h ASP 37 CO 0.06 0.00 0.07 -0.25 -1.72 0.00 0.00 179.24 177.41 3krz h TRP 38 N 0.00 0.31 -0.76 4.55 7.01 -1.95 -1.81 115.95 123.30 3krz h TRP 38 Ca 0.09 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 3krz h TRP 38 Cb 0.48 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.41 3krz h TRP 38 CO 0.00 0.37 0.40 0.45 -2.79 0.00 0.00 178.44 176.87 3krz h HIS 39 N 0.16 1.06 -0.08 2.65 3.86 -1.68 -0.73 115.15 120.39 3krz h HIS 39 Ca 0.07 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3krz h HIS 39 Cb 0.20 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 3krz h HIS 39 CO -0.01 0.76 0.05 0.82 0.86 0.00 0.00 177.93 180.41 3krz h ILE 40 N 1.05 1.06 -0.12 2.45 2.04 -1.26 -1.56 117.51 121.17 3krz h ILE 40 Ca 0.26 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 3krz h ILE 40 Cb 0.07 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3krz h ILE 40 CO -0.04 0.05 0.06 0.58 0.00 0.00 0.00 178.15 178.81 3krz h VAL 41 N 0.07 1.11 -0.50 1.67 2.07 -1.30 -1.43 116.25 117.94 3krz h VAL 41 Ca 0.03 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.35 3krz h VAL 41 Cb 0.04 1.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 3krz h VAL 41 CO -0.01 0.10 -0.15 -0.74 0.02 0.00 0.00 177.57 176.80 3krz h HIS 42 N 0.08 -0.33 0.13 1.57 -0.00 -0.91 -0.51 115.15 115.19 3krz h HIS 42 Ca 0.04 0.05 -0.29 0.00 -0.00 0.00 0.00 60.37 60.17 3krz h HIS 42 Cb 0.10 0.22 0.03 0.00 -0.00 0.00 0.00 27.41 27.76 3krz h HIS 42 CO -0.04 -0.24 -1.21 1.88 -0.00 0.00 0.00 177.93 178.33 3krz h TYR 43 N -0.03 0.96 -0.69 5.26 0.05 -1.28 -3.26 116.97 117.99 3krz h TYR 43 Ca 0.24 -0.62 0.07 0.00 0.05 0.00 0.00 58.73 58.47 3krz h TYR 43 Cb 0.39 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 3krz h TYR 43 CO -0.44 1.46 0.46 0.00 -1.05 0.00 0.00 178.16 178.59 3krz h ALA 44 N 0.25 1.78 -0.64 3.88 0.00 -1.06 -2.32 119.26 121.15 3krz h ALA 44 Ca -0.19 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3krz h ALA 44 Cb 1.90 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 3krz h ALA 44 CO 0.23 0.10 0.40 1.15 0.00 0.00 0.00 179.25 181.13 3krz h THR 45 N 0.67 1.09 0.00 0.00 2.02 -1.13 -0.17 112.91 115.39 3krz h THR 45 Ca 0.31 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 3krz h THR 45 Cb 0.33 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3krz h THR 45 CO -0.10 0.14 -0.48 0.03 0.37 0.00 0.00 175.52 175.49 3krz h ARG 46 N 0.79 0.00 -0.04 6.66 -0.00 -1.52 0.98 114.38 121.25 3krz h ARG 46 Ca 0.25 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.73 3krz h ARG 46 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.97 3krz h ARG 46 CO -0.10 0.48 -0.00 0.00 0.00 0.00 0.00 179.97 180.35 3krz h ALA 47 N 1.52 0.05 -0.94 0.04 0.00 -0.97 -2.20 119.26 116.77 3krz h ALA 47 Ca -0.00 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.85 3krz h ALA 47 Cb 1.11 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3krz h ALA 47 CO 0.06 -0.27 0.60 0.82 0.00 0.00 0.00 179.25 180.46 3krz h ILE 48 N -0.25 0.92 0.00 0.00 1.08 -0.96 -1.64 117.51 116.65 3krz h ILE 48 Ca 0.01 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3krz h ILE 48 Cb 0.35 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 3krz h ILE 48 CO 0.00 0.16 0.00 0.61 -0.69 0.00 0.00 178.15 178.23 3krz n GLY 49 N -1.39 -0.61 1.03 5.37 0.00 0.33 -4.82 105.19 105.11 3krz n GLY 49 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.20 0.76 3.74 -0.02 0.00 -0.62 -2.76 105.19 106.49 3krz n GLY 50 Ca 0.13 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 -2.22 2.03 0.02 1.61 1.01 -0.86 -4.91 120.40 117.08 3krz s VAL 51 Ca 0.00 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 3krz s VAL 51 Cb 0.00 -3.01 -0.16 0.00 0.00 0.00 0.00 36.38 33.20 3krz s VAL 51 CO 0.00 0.00 1.30 1.23 0.00 0.00 0.00 175.10 177.64 3krz h GLY 52 N 5.78 0.29 -7.00 4.51 0.00 -1.68 -3.41 103.07 101.57 3krz h GLY 52 Ca -0.45 -0.32 -0.54 0.00 0.00 0.00 0.00 47.33 46.03 3krz h GLY 52 CO 0.87 0.28 -0.79 -2.27 0.00 0.00 0.00 176.54 174.64 3krz s LEU 53 N -9.08 1.43 -0.38 3.11 0.20 -0.92 -1.44 118.68 111.60 3krz s LEU 53 Ca -0.15 -0.57 -0.19 0.00 0.69 0.00 0.00 54.13 53.91 3krz s LEU 53 Cb 0.04 -0.84 0.01 0.00 -0.43 0.00 0.00 46.19 44.97 3krz s LEU 53 CO 0.74 -0.18 0.56 -0.63 -0.29 0.00 0.00 176.35 176.54 3krz s ILE 54 N 1.69 4.95 -0.42 6.68 1.01 0.05 -0.42 121.20 134.73 3krz s ILE 54 Ca 0.02 0.27 -0.21 0.00 0.00 0.00 0.00 60.65 60.73 3krz s ILE 54 Cb -0.15 -4.05 0.02 0.00 0.01 0.00 0.00 42.46 38.30 3krz s ILE 54 CO -0.08 -0.34 0.65 -0.32 0.00 0.00 0.00 174.94 174.85 3krz s MET 55 N 2.53 3.36 0.38 2.79 1.75 -0.82 -0.17 119.30 129.12 3krz s MET 55 Ca 0.20 -0.28 -0.27 0.00 -1.25 0.00 0.00 55.69 54.09 3krz s MET 55 Cb -0.15 -3.93 -0.11 0.00 2.84 0.00 0.00 34.83 33.49 3krz s MET 55 CO 0.15 -0.97 1.40 0.94 -0.65 0.00 0.00 175.02 175.88 3krz n GLN 56 N 6.26 2.37 -0.86 4.11 7.27 -0.11 -3.65 117.38 132.76 3krz n GLN 56 Ca -0.01 0.83 -0.34 0.00 0.07 0.00 0.00 57.00 57.55 3krz n GLN 56 Cb 0.48 -2.53 0.09 0.00 2.41 0.00 0.00 30.24 30.69 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 0.33 -0.26 -1.60 3.69 0.28 -1.26 -2.77 120.64 119.06 3krz n GLU 57 Ca 0.03 -0.05 -0.59 0.00 -0.16 0.00 0.00 57.16 56.40 3krz n GLU 57 Cb 0.38 -1.53 -0.08 0.00 1.43 0.00 0.00 31.44 31.64 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 -3.27 -0.14 -3.81 -1.84 0.00 -1.26 -4.29 120.51 105.90 3krz n ALA 58 Ca 0.03 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.43 3krz n ALA 58 Cb 0.55 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.66 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 4.48 2.70 0.11 0.00 2.01 0.10 -4.38 115.64 120.66 3krz s THR 59 Ca 1.05 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 3krz s THR 59 Cb -1.19 -2.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.04 3krz s THR 59 CO 0.66 0.44 1.12 0.00 -0.69 0.00 0.00 174.62 176.16 3krz s ALA 60 N 1.37 3.35 -0.83 7.40 0.00 -0.47 -1.36 121.76 131.23 3krz s ALA 60 Ca 0.05 0.79 0.26 0.00 0.00 0.00 0.00 51.96 53.06 3krz s ALA 60 Cb -0.14 -3.39 0.80 0.00 0.00 0.00 0.00 23.12 20.39 3krz s ALA 60 CO -0.08 -0.30 1.68 1.33 0.00 0.00 0.00 175.76 178.39 3krz n VAL 61 N 3.16 0.29 -3.88 0.00 0.24 -0.55 -1.07 118.33 116.51 3krz n VAL 61 Ca 0.05 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 3krz n VAL 61 Cb 0.47 -0.35 -0.09 0.00 -1.47 0.00 0.00 33.84 32.40 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 0.38 7.34 2.02 -1.26 -4.39 118.70 120.31 3krz s GLU 62 Ca 0.11 -0.59 0.08 0.00 0.02 0.00 0.00 54.97 54.59 3krz s GLU 62 Cb 0.15 0.24 0.77 0.00 0.10 0.00 0.00 34.13 35.39 3krz s GLU 62 CO 0.62 -0.15 1.95 0.66 0.02 0.00 0.00 175.26 178.35 3krz h SER 63 N 3.82 0.35 0.61 -0.19 4.64 -1.95 -0.25 113.55 120.58 3krz h SER 63 Ca -0.32 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3krz h SER 63 Cb 1.19 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3krz h SER 63 CO 0.46 0.41 0.00 -2.11 -0.87 0.00 0.00 176.83 174.72 3krz n ARG 64 N -4.33 0.02 -0.16 4.77 1.85 -1.26 -2.54 116.66 115.01 3krz n ARG 64 Ca 0.01 0.17 0.10 0.00 -1.00 0.00 0.00 57.85 57.13 3krz n ARG 64 Cb 0.21 -1.50 0.28 0.00 -1.05 0.00 0.00 32.46 30.40 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 0.41 0.97 3.80 2.89 0.00 -0.11 -4.60 105.19 108.55 3krz n GLY 65 Ca 0.05 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.59 3.45 -0.09 1.61 0.52 -1.05 -0.67 118.95 121.13 3krz s ARG 66 Ca 0.34 1.24 -0.23 0.00 -0.52 0.00 0.00 55.73 56.55 3krz s ARG 66 Cb 0.19 -2.05 -0.29 0.00 0.52 0.00 0.00 34.95 33.32 3krz s ARG 66 CO 0.27 -0.71 0.79 0.82 0.02 0.00 0.00 175.30 176.48 3krz h ILE 67 N 0.71 1.52 -3.48 1.52 2.04 -1.91 -3.39 117.51 114.53 3krz h ILE 67 Ca -0.47 -2.45 -0.34 0.00 1.00 0.00 0.00 64.86 62.59 3krz h ILE 67 Cb 1.22 3.17 -0.14 0.00 -0.74 0.00 0.00 36.82 40.32 3krz h ILE 67 CO 0.58 0.66 -0.66 0.42 0.00 0.00 0.00 178.15 179.15 3krz s THR 68 N -2.37 0.92 -0.69 -0.27 -4.23 -1.26 -0.42 115.64 107.32 3krz s THR 68 Ca -0.17 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.36 3krz s THR 68 Cb 0.00 -2.22 0.22 0.00 1.34 0.00 0.00 72.50 71.84 3krz s THR 68 CO 0.77 -0.41 0.90 -0.90 -0.54 0.00 0.00 174.62 174.44 3krz n ASP 69 N -0.34 2.44 -0.32 3.99 5.68 -1.26 -2.57 116.55 124.17 3krz n ASP 69 Ca -0.06 -2.28 0.08 0.00 -0.50 0.00 0.00 54.79 52.03 3krz n ASP 69 Cb 0.63 -0.56 0.17 0.00 -1.14 0.00 0.00 41.12 40.23 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 0.15 0.02 -2.95 2.11 8.25 -1.26 -3.38 115.22 118.16 3krz n HIS 70 Ca 0.09 -1.23 -0.30 0.00 -0.26 0.00 0.00 57.72 56.03 3krz n HIS 70 Cb 0.56 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 -3.02 6.50 0.48 0.41 1.11 -1.06 -1.12 116.67 119.96 3krz s ASP 71 Ca 0.35 1.04 -0.22 0.00 0.18 0.00 0.00 52.55 53.89 3krz s ASP 71 Cb 0.32 -2.28 -0.07 0.00 1.07 0.00 0.00 42.92 41.96 3krz s ASP 71 CO -0.01 -0.36 1.16 -0.76 1.18 0.00 0.00 175.17 176.37 3krz s LEU 72 N -3.82 3.94 0.17 1.23 1.43 -1.26 -4.19 118.68 116.19 3krz s LEU 72 Ca 0.50 2.28 0.06 0.00 -1.03 0.00 0.00 54.13 55.94 3krz s LEU 72 Cb -0.10 -4.33 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 3krz s LEU 72 CO 0.31 -1.01 -0.13 -0.83 0.23 0.00 0.00 176.35 174.92 3krz s GLY 73 N -1.46 1.26 -0.26 -3.19 0.00 -0.44 -1.37 107.32 101.86 3krz s GLY 73 Ca 0.66 -1.54 0.22 0.00 0.00 0.00 0.00 44.72 44.06 3krz s GLY 73 CO 0.33 -1.63 1.14 4.51 0.00 0.00 0.00 173.10 177.44 3krz n ILE 74 N -0.15 1.17 1.18 0.90 3.06 -0.23 -4.80 119.36 120.49 3krz n ILE 74 Ca -0.10 -2.77 0.12 0.00 -2.50 0.00 0.00 62.75 57.50 3krz n ILE 74 Cb 0.60 1.29 0.25 0.00 0.54 0.00 0.00 39.64 42.31 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 -0.65 0.00 -3.98 9.51 2.14 -1.24 -4.51 117.44 118.71 3krz n TRP 75 Ca 0.05 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.54 3krz n TRP 75 Cb 0.81 -0.05 -0.09 0.00 -0.81 0.00 0.00 31.31 31.17 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 -2.36 0.31 0.57 -0.67 2.20 -1.26 -4.96 114.94 108.76 3krz s ASN 76 Ca 0.25 -0.79 0.33 0.00 -0.94 0.00 0.00 52.86 51.71 3krz s ASN 76 Cb 0.19 0.25 1.69 0.00 -2.00 0.00 0.00 41.25 41.38 3krz s ASN 76 CO 0.48 -0.62 2.13 0.44 -2.94 0.00 0.00 177.10 176.60 3krz h ASP 77 N 3.16 0.00 0.52 3.54 3.32 -2.00 -2.80 116.42 122.16 3krz h ASP 77 Ca -0.34 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.65 3krz h ASP 77 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3krz h ASP 77 CO 0.59 0.06 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.52 3krz h GLU 78 N 0.00 0.00 0.00 3.56 3.07 -2.00 -3.05 114.58 116.16 3krz h GLU 78 Ca -0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 3krz h GLU 78 Cb 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3krz h GLU 78 CO 0.01 0.32 -0.45 1.96 -1.40 0.00 0.00 179.01 179.45 3krz h GLN 79 N 0.00 0.00 -0.25 2.33 4.20 -1.84 -3.34 115.11 116.22 3krz h GLN 79 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3krz h GLN 79 Cb 0.67 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.38 3krz h GLN 79 CO 0.04 0.45 -0.23 0.28 -0.67 0.00 0.00 178.83 178.70 3krz h VAL 80 N 0.00 0.40 0.00 -0.54 2.07 -1.67 -1.17 116.25 115.33 3krz h VAL 80 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3krz h VAL 80 Cb 0.86 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3krz h VAL 80 CO 0.06 0.00 -0.11 0.07 0.02 0.00 0.00 177.57 177.61 3krz h LYS 81 N -0.24 0.00 0.12 1.57 2.10 -1.76 0.15 116.57 118.52 3krz h LYS 81 Ca 0.14 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.60 3krz h LYS 81 Cb 0.45 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.80 3krz h LYS 81 CO -0.39 0.11 -0.85 0.93 -2.00 0.00 0.00 179.45 177.24 3krz h GLU 82 N 0.00 0.26 -0.53 0.07 4.39 -1.57 -3.30 114.58 113.90 3krz h GLU 82 Ca -0.00 -0.45 0.04 0.00 0.34 0.00 0.00 59.36 59.29 3krz h GLU 82 Cb 0.45 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 3krz h GLU 82 CO 0.01 1.22 0.35 -0.07 -1.16 0.00 0.00 179.01 179.36 3krz h LEU 83 N -0.42 0.48 -2.16 1.33 3.38 -1.03 -1.93 115.31 114.97 3krz h LEU 83 Ca -0.16 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3krz h LEU 83 Cb 1.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 3krz h LEU 83 CO 0.12 0.33 0.11 0.50 0.09 0.00 0.00 178.44 179.59 3krz h LYS 84 N 0.56 0.00 -0.69 1.13 3.64 -1.04 -1.38 116.57 118.79 3krz h LYS 84 Ca 0.22 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3krz h LYS 84 Cb 0.17 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3krz h LYS 84 CO -0.06 0.00 0.20 0.87 -2.27 0.00 0.00 179.45 178.19 3krz h LYS 85 N 0.00 1.08 0.13 1.90 1.57 -1.44 -0.58 116.57 119.23 3krz h LYS 85 Ca 0.06 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3krz h LYS 85 Cb 0.28 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3krz h LYS 85 CO -0.00 0.94 -0.06 0.82 -0.57 0.00 0.00 179.45 180.58 3krz h ILE 86 N 1.02 1.00 -0.40 1.86 2.04 -1.37 -2.65 117.51 119.01 3krz h ILE 86 Ca 0.22 -0.55 0.08 0.00 1.00 0.00 0.00 64.86 65.61 3krz h ILE 86 Cb 0.32 1.34 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 3krz h ILE 86 CO -0.00 0.13 -0.09 0.58 0.00 0.00 0.00 178.15 178.76 3krz h VAL 87 N -0.43 0.60 -0.38 1.67 2.07 -1.36 -2.18 116.25 116.24 3krz h VAL 87 Ca -0.02 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 3krz h VAL 87 Cb 0.35 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3krz h VAL 87 CO 0.03 0.00 0.08 0.44 0.02 0.00 0.00 177.57 178.14 3krz h ASP 88 N 0.01 0.60 -0.35 0.57 3.32 -1.09 -1.56 116.42 117.91 3krz h ASP 88 Ca 0.19 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 3krz h ASP 88 Cb 0.29 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3krz h ASP 88 CO -0.41 0.69 -0.14 -0.29 -1.72 0.00 0.00 179.24 177.38 3krz h ILE 89 N 0.48 1.26 -0.29 0.35 2.10 -1.37 -0.61 117.51 119.43 3krz h ILE 89 Ca 0.12 -1.21 -0.07 0.00 1.08 0.00 0.00 64.86 64.77 3krz h ILE 89 Cb 0.34 1.07 -0.01 0.00 -1.09 0.00 0.00 36.82 37.13 3krz h ILE 89 CO 0.00 0.41 -0.11 0.00 -1.08 0.00 0.00 178.15 177.38 3krz h LYS 91 N 0.34 0.55 -0.10 0.00 1.57 -1.24 -1.68 116.57 116.02 3krz h LYS 91 Ca 0.07 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3krz h LYS 91 Cb 0.61 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3krz h LYS 91 CO 0.04 0.76 -0.06 0.00 -0.57 0.00 0.00 179.45 179.62 3krz h ALA 92 N 1.24 1.73 -0.59 3.86 0.00 -0.97 -2.01 119.26 122.52 3krz h ALA 92 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3krz h ALA 92 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3krz h ALA 92 CO 0.05 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.60 3krz n ASN 93 N -4.39 4.35 0.00 0.00 4.13 -0.85 -4.95 115.26 113.55 3krz n ASN 93 Ca -0.01 -2.39 0.00 0.00 1.68 0.00 0.00 54.58 53.86 3krz n ASN 93 Cb 0.18 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.87 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 1.09 0.71 3.90 7.41 0.00 -0.76 -4.36 105.19 113.18 3krz n GLY 94 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.10 3.69 0.06 4.61 0.00 -0.68 -4.91 121.76 122.44 3krz s ALA 95 Ca 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.19 3krz s ALA 95 Cb 0.00 -2.24 -0.06 0.00 0.00 0.00 0.00 23.12 20.82 3krz s ALA 95 CO 0.00 0.49 0.77 0.08 0.00 0.00 0.00 175.76 177.10 3krz s VAL 96 N -1.84 4.67 -0.19 0.00 1.01 -0.52 -3.90 120.40 119.64 3krz s VAL 96 Ca 0.43 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 64.02 3krz s VAL 96 Cb -0.11 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3krz s VAL 96 CO 0.26 0.38 -0.01 -0.32 0.00 0.00 0.00 175.10 175.41 3krz s MET 97 N -0.21 3.63 0.24 2.72 1.75 -1.26 -0.77 119.30 125.40 3krz s MET 97 Ca 0.38 -0.52 0.10 0.00 -1.25 0.00 0.00 55.69 54.40 3krz s MET 97 Cb -0.21 -3.03 -0.04 0.00 2.84 0.00 0.00 34.83 34.38 3krz s MET 97 CO 0.24 0.08 -0.07 0.20 -0.65 0.00 0.00 175.02 174.81 3krz s GLY 98 N 0.82 1.72 -0.05 2.11 0.00 0.76 -0.67 107.32 112.00 3krz s GLY 98 Ca 0.00 -1.63 0.03 0.00 0.00 0.00 0.00 44.72 43.13 3krz s GLY 98 CO 0.02 -1.68 -0.14 -1.50 0.00 0.00 0.00 173.10 169.80 3krz s ILE 99 N -2.13 1.21 -0.42 0.90 2.07 -0.81 -0.93 121.20 121.08 3krz s ILE 99 Ca 0.29 -0.56 -0.20 0.00 -1.41 0.00 0.00 60.65 58.77 3krz s ILE 99 Cb -0.07 -1.07 0.02 0.00 0.13 0.00 0.00 42.46 41.47 3krz s ILE 99 CO 0.17 0.36 0.58 -1.58 -1.91 0.00 0.00 174.94 172.57 3krz s GLN 100 N 0.35 3.27 -0.09 3.50 0.74 -1.11 -0.75 119.66 125.57 3krz s GLN 100 Ca -0.09 -0.44 -0.26 0.00 0.05 0.00 0.00 55.36 54.63 3krz s GLN 100 Cb -0.13 -3.94 -0.02 0.00 1.10 0.00 0.00 33.01 30.02 3krz s GLN 100 CO 0.03 -0.94 0.84 -0.51 -0.55 0.00 0.00 175.29 174.16 3krz s LEU 101 N 2.62 4.27 0.08 3.68 1.43 0.13 -0.72 118.68 130.17 3krz s LEU 101 Ca 0.20 1.32 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 3krz s LEU 101 Cb -0.15 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 3krz s LEU 101 CO 0.17 -0.28 -0.08 0.00 0.23 0.00 0.00 176.35 176.39 3krz s ALA 102 N 1.45 0.90 -0.22 4.21 0.00 -0.46 -1.21 121.76 126.43 3krz s ALA 102 Ca 0.42 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 3krz s ALA 102 Cb -0.18 0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.13 3krz s ALA 102 CO 0.18 -0.10 0.38 -1.58 0.00 0.00 0.00 175.76 174.64 3krz s HIS 103 N -2.50 -0.78 0.39 0.00 2.46 -1.26 -1.48 115.29 112.11 3krz s HIS 103 Ca 0.03 1.01 0.34 0.00 0.47 0.00 0.00 55.06 56.91 3krz s HIS 103 Cb -0.02 0.08 1.69 0.00 -0.13 0.00 0.00 32.58 34.20 3krz s HIS 103 CO -0.01 -0.63 2.13 0.00 -2.47 0.00 0.00 174.74 173.75 3krz h ALA 104 N 8.19 1.12 -0.79 1.58 0.00 -1.15 -0.20 119.26 128.00 3krz h ALA 104 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3krz h ALA 104 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3krz h ALA 104 CO 0.22 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.95 3krz n GLY 105 N -0.57 2.99 0.00 0.00 0.00 -1.26 -1.51 105.19 104.84 3krz n GLY 105 Ca -0.01 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 0.07 -0.11 1.61 1.85 -0.85 -2.07 116.66 131.15 3krz n ARG 106 Ca 0.00 0.17 0.11 0.00 -1.00 0.00 0.00 57.85 57.12 3krz n ARG 106 Cb 0.00 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.22 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 -1.44 1.97 -1.68 2.89 5.02 -0.57 -4.56 118.16 119.79 3krz n LYS 107 Ca 0.06 -1.46 -0.47 0.00 -2.02 0.00 0.00 58.31 54.41 3krz n LYS 107 Cb 0.20 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 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 6.78 4.58 -4.54 0.00 5.15 0.44 -4.75 115.26 122.91 3krz n ASN 109 Ca 0.22 -2.33 -0.42 0.00 -0.60 0.00 0.00 54.58 51.45 3krz n ASN 109 Cb 0.31 -0.56 -0.07 0.00 -0.53 0.00 0.00 39.78 38.94 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 -1.62 4.87 0.53 -1.44 1.01 -1.24 -4.93 121.20 118.39 3krz s ILE 110 Ca 0.51 0.32 0.20 0.00 0.00 0.00 0.00 60.65 61.69 3krz s ILE 110 Cb 0.31 -4.13 0.32 0.00 0.01 0.00 0.00 42.46 38.98 3krz s ILE 110 CO 0.27 -0.44 2.10 0.77 0.00 0.00 0.00 174.94 177.64 3krz h SER 111 N 8.67 0.00 0.03 3.58 4.64 -1.96 -2.06 113.55 126.44 3krz h SER 111 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3krz h SER 111 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3krz h SER 111 CO 0.86 0.00 -0.23 0.00 -0.87 0.00 0.00 176.83 176.59 3krz n TYR 112 N -4.41 0.00 -1.88 4.77 0.18 -1.26 -4.97 117.16 109.58 3krz n TYR 112 Ca 0.02 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.49 3krz n TYR 112 Cb 0.28 -0.02 0.03 0.00 -0.38 0.00 0.00 39.34 39.25 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 -2.27 3.21 -1.11 -3.48 0.41 -0.78 -4.97 118.70 109.71 3krz s GLU 113 Ca 0.25 0.60 -0.20 0.00 -0.41 0.00 0.00 54.97 55.21 3krz s GLU 113 Cb 0.19 -2.05 0.08 0.00 -1.78 0.00 0.00 34.13 30.57 3krz s GLU 113 CO 0.45 -0.81 1.49 0.34 -0.49 0.00 0.00 175.26 176.24 3krz s ASP 114 N -4.27 6.68 -0.11 -0.19 2.15 -1.26 -4.98 116.67 114.69 3krz s ASP 114 Ca 0.57 -1.99 -0.30 0.00 0.43 0.00 0.00 52.55 51.26 3krz s ASP 114 Cb -0.11 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 3krz s ASP 114 CO 0.53 -1.27 1.28 -0.69 -0.17 0.00 0.00 175.17 174.85 3krz s VAL 115 N 4.09 4.18 0.16 1.11 1.01 -1.26 -4.86 120.40 124.84 3krz s VAL 115 Ca 0.46 1.47 0.09 0.00 0.00 0.00 0.00 61.98 64.00 3krz s VAL 115 Cb 0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3krz s VAL 115 CO -0.03 -0.08 -0.19 0.68 0.00 0.00 0.00 175.10 175.48 3krz s VAL 116 N 3.01 1.84 0.37 2.92 -7.23 -1.26 -0.90 120.40 119.15 3krz s VAL 116 Ca 0.57 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 3krz s VAL 116 Cb -0.24 -1.81 0.04 0.00 0.56 0.00 0.00 36.38 34.93 3krz s VAL 116 CO 0.19 -0.25 0.70 -0.83 -0.31 0.00 0.00 175.10 174.59 3krz s GLY 117 N -2.53 0.71 0.32 2.32 0.00 -0.45 -2.01 107.32 105.69 3krz s GLY 117 Ca 0.14 -0.99 0.12 0.00 0.00 0.00 0.00 44.72 43.99 3krz s GLY 117 CO 0.06 -0.52 1.72 -0.56 0.00 0.00 0.00 173.10 173.81 3krz h PRO 118 N 2.03 0.00 -3.35 2.90 0.13 -1.85 -2.14 132.00 129.72 3krz h PRO 118 Ca -0.31 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.67 3krz h PRO 118 Cb 1.25 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.16 3krz h PRO 118 CO 0.40 0.49 -0.45 -1.12 -0.23 0.00 0.00 178.00 177.09 3krz s SER 119 N -6.89 -0.08 -1.26 1.44 0.01 -1.26 -4.44 113.70 101.23 3krz s SER 119 Ca -0.02 0.01 -0.18 0.00 1.31 0.00 0.00 55.95 57.07 3krz s SER 119 Cb 0.14 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.65 3krz s SER 119 CO 0.74 -0.30 1.98 -0.81 0.41 0.00 0.00 173.24 175.25 3krz n PRO 120 N 1.83 2.59 -3.97 12.44 -0.04 -1.26 -4.78 135.00 141.80 3krz n PRO 120 Ca -0.20 -2.70 -0.17 0.00 -0.04 0.00 0.00 63.50 60.39 3krz n PRO 120 Cb 0.56 -3.36 -0.16 0.00 -0.04 0.00 0.00 33.50 30.50 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 4.88 0.23 0.55 0.52 1.01 -1.26 -4.88 121.20 122.25 3krz s ILE 121 Ca 0.54 0.04 -0.19 0.00 0.00 0.00 0.00 60.65 61.04 3krz s ILE 121 Cb 0.09 -0.31 -0.06 0.00 0.01 0.00 0.00 42.46 42.20 3krz s ILE 121 CO 0.03 0.15 1.11 -0.54 0.00 0.00 0.00 174.94 175.69 3krz s LYS 122 N 0.91 3.36 0.42 2.79 1.02 -1.26 -4.51 119.74 122.47 3krz s LYS 122 Ca -0.10 1.55 0.29 0.00 0.02 0.00 0.00 55.97 57.73 3krz s LYS 122 Cb -0.13 -2.01 1.14 0.00 -0.52 0.00 0.00 37.83 36.31 3krz s LYS 122 CO -0.01 -0.83 1.85 0.00 -0.92 0.00 0.00 175.35 175.44 3krz h ALA 123 N 1.11 1.00 0.00 5.17 0.00 -1.84 -3.48 119.26 121.23 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 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3krz h ALA 123 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 3krz n GLY 124 N 0.14 1.08 0.03 0.00 0.00 -1.26 -4.53 105.19 100.65 3krz n GLY 124 Ca 0.02 -0.99 0.09 0.00 0.00 0.00 0.00 46.02 45.13 3krz n GLY 124 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3krz n ASP 125 N 0.00 0.16 -0.55 1.61 5.68 -1.26 -1.93 116.55 120.25 3krz n ASP 125 Ca 0.00 0.54 0.12 0.00 -0.50 0.00 0.00 54.79 54.95 3krz n ASP 125 Cb 0.00 -0.57 0.23 0.00 -1.14 0.00 0.00 41.12 39.64 3krz n ASP 125 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3krz n ARG 126 N -1.67 1.51 -3.74 0.11 1.74 -1.26 -4.95 116.66 108.40 3krz n ARG 126 Ca 0.04 -1.11 -0.22 0.00 -0.77 0.00 0.00 57.85 55.79 3krz n ARG 126 Cb 0.20 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 3krz n ARG 126 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3krz s TYR 127 N -2.26 3.47 0.40 -1.55 2.02 -0.81 -5.09 117.35 113.52 3krz s TYR 127 Ca 0.27 0.12 -0.24 0.00 -0.37 0.00 0.00 57.07 56.85 3krz s TYR 127 Cb 0.19 -1.70 -0.09 0.00 -0.40 0.00 0.00 41.96 39.97 3krz s TYR 127 CO 0.44 0.31 1.07 0.21 -1.57 0.00 0.00 175.55 176.02 3krz s LYS 128 N -4.11 4.14 0.03 -0.62 2.20 -1.26 -4.88 119.74 115.23 3krz s LYS 128 Ca 0.36 1.58 -0.30 0.00 -0.36 0.00 0.00 55.97 57.25 3krz s LYS 128 Cb -0.09 -2.57 -0.07 0.00 -1.51 0.00 0.00 37.83 33.58 3krz s LYS 128 CO 0.32 -0.18 1.64 -1.17 -0.36 0.00 0.00 175.35 175.60 3krz s LEU 129 N -2.60 4.35 0.46 5.43 2.96 -1.26 -4.69 118.68 123.33 3krz s LEU 129 Ca 0.58 2.40 -0.20 0.00 -0.22 0.00 0.00 54.13 56.68 3krz s LEU 129 Cb -0.24 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.80 3krz s LEU 129 CO 0.30 -0.88 0.99 -2.16 -1.32 0.00 0.00 176.35 173.28 3krz s PRO 130 N 3.01 4.02 0.11 0.98 0.04 -1.26 -4.92 135.00 136.97 3krz s PRO 130 Ca 0.73 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 3krz s PRO 130 Cb -0.38 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 3krz s PRO 130 CO 0.31 -0.22 1.05 0.50 0.04 0.00 0.00 177.00 178.68 3krz s ARG 131 N -3.28 4.60 -0.23 4.56 3.52 -0.08 -4.35 118.95 123.69 3krz s ARG 131 Ca 0.64 1.58 -0.29 0.00 -0.13 0.00 0.00 55.73 57.53 3krz s ARG 131 Cb -0.12 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3krz s ARG 131 CO 0.17 0.05 1.30 -2.00 -0.81 0.00 0.00 175.30 174.01 3krz s GLU 132 N 0.22 4.06 0.27 5.12 2.12 -1.26 -1.34 118.70 127.89 3krz s GLU 132 Ca 0.50 1.46 -0.29 0.00 0.36 0.00 0.00 54.97 57.00 3krz s GLU 132 Cb -0.26 -3.83 -0.10 0.00 0.26 0.00 0.00 34.13 30.20 3krz s GLU 132 CO 0.31 -0.93 1.29 -0.51 -0.54 0.00 0.00 175.26 174.88 3krz s LEU 133 N 3.99 4.44 0.63 2.70 1.43 -0.80 -4.97 118.68 126.10 3krz s LEU 133 Ca 0.56 2.53 -0.10 0.00 -1.03 0.00 0.00 54.13 56.09 3krz s LEU 133 Cb -0.19 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 3krz s LEU 133 CO 0.19 -0.50 1.02 -0.94 0.23 0.00 0.00 176.35 176.36 3krz s SER 134 N -0.16 6.00 0.45 2.29 1.04 -1.26 -4.91 113.70 117.15 3krz s SER 134 Ca 0.52 1.28 0.13 0.00 0.48 0.00 0.00 55.95 58.36 3krz s SER 134 Cb -0.38 -2.28 1.02 0.00 0.10 0.00 0.00 66.02 64.48 3krz s SER 134 CO 0.45 -0.98 2.03 -0.37 0.98 0.00 0.00 173.24 175.35 3krz h VAL 135 N -0.36 1.10 -0.41 5.02 -1.51 -1.99 -0.36 116.25 117.74 3krz h VAL 135 Ca -0.45 -0.42 -0.14 0.00 -1.23 0.00 0.00 66.70 64.46 3krz h VAL 135 Cb 1.21 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 3krz h VAL 135 CO 0.62 0.13 -0.32 -0.08 -1.23 0.00 0.00 177.57 176.70 3krz h GLU 136 N 0.12 0.91 -0.65 5.19 4.57 -2.00 -2.18 114.58 120.54 3krz h GLU 136 Ca 0.03 -0.44 -0.07 0.00 -1.18 0.00 0.00 59.36 57.70 3krz h GLU 136 Cb 0.19 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3krz h GLU 136 CO 0.01 1.09 0.13 0.93 -1.18 0.00 0.00 179.01 179.99 3krz h GLU 137 N 0.76 1.05 -0.55 1.92 5.08 -1.68 -2.06 114.58 119.10 3krz h GLU 137 Ca 0.08 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3krz h GLU 137 Cb 0.89 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3krz h GLU 137 CO 0.08 0.95 0.32 0.82 -1.00 0.00 0.00 179.01 180.18 3krz h ILE 138 N 0.99 1.03 -0.95 3.13 2.04 -1.02 -1.35 117.51 121.39 3krz h ILE 138 Ca 0.20 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3krz h ILE 138 Cb 0.40 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3krz h ILE 138 CO 0.01 0.11 0.62 0.11 0.00 0.00 0.00 178.15 179.00 3krz h LYS 139 N 0.63 1.11 -0.48 2.37 6.56 -1.00 0.08 116.57 125.83 3krz h LYS 139 Ca 0.23 -0.07 -0.08 0.00 -1.06 0.00 0.00 60.65 59.67 3krz h LYS 139 Cb 0.06 -0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 31.45 3krz h LYS 139 CO -0.12 0.73 -0.03 0.66 -2.06 0.00 0.00 179.45 178.63 3krz h SER 140 N 1.14 0.80 -0.29 0.86 4.64 -0.71 -1.25 113.55 118.74 3krz h SER 140 Ca 0.39 -0.21 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 3krz h SER 140 Cb 0.10 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3krz h SER 140 CO -0.14 0.89 -0.39 0.40 -0.87 0.00 0.00 176.83 176.72 3krz h ILE 141 N 0.76 1.29 -0.56 0.95 2.04 -0.36 -0.81 117.51 120.82 3krz h ILE 141 Ca 0.14 -1.57 0.11 0.00 1.00 0.00 0.00 64.86 64.53 3krz h ILE 141 Cb 0.51 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.11 3krz h ILE 141 CO 0.03 0.51 0.08 0.58 0.00 0.00 0.00 178.15 179.34 3krz h VAL 142 N 0.54 0.63 -0.97 1.67 2.07 -0.88 -1.77 116.25 117.54 3krz h VAL 142 Ca 0.03 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3krz h VAL 142 Cb 0.98 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3krz h VAL 142 CO 0.09 0.04 0.63 0.50 0.02 0.00 0.00 177.57 178.85 3krz h LYS 143 N 0.20 1.28 -0.68 1.57 3.64 -0.91 -2.46 116.57 119.22 3krz h LYS 143 Ca 0.29 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3krz h LYS 143 Cb 0.43 -0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3krz h LYS 143 CO -0.41 0.85 0.43 0.00 -2.27 0.00 0.00 179.45 178.05 3krz h ALA 144 N 1.35 0.88 -0.70 5.00 0.00 -0.33 -0.09 119.26 125.37 3krz h ALA 144 Ca 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3krz h ALA 144 Cb -0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 3krz h ALA 144 CO -0.08 0.22 0.39 0.74 0.00 0.00 0.00 179.25 180.52 3krz h PHE 145 N 0.85 0.95 -0.44 0.00 0.04 -1.02 0.11 116.94 117.44 3krz h PHE 145 Ca 0.27 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.02 3krz h PHE 145 Cb -0.01 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.81 3krz h PHE 145 CO -0.04 0.67 0.28 0.78 -0.60 0.00 0.00 178.31 179.40 3krz h GLY 146 N 0.95 0.63 1.18 -1.45 0.00 -0.94 -0.71 103.07 102.72 3krz h GLY 146 Ca 0.25 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3krz h GLY 146 CO -0.04 0.24 0.07 0.83 0.00 0.00 0.00 176.54 177.64 3krz h GLU 147 N 0.59 1.00 -0.53 4.80 5.08 -0.74 -1.43 114.58 123.35 3krz h GLU 147 Ca 0.16 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3krz h GLU 147 Cb -0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3krz h GLU 147 CO -0.03 0.94 0.32 0.00 -1.00 0.00 0.00 179.01 179.24 3krz h ALA 148 N 1.13 0.68 -0.76 3.43 0.00 -0.48 -1.18 119.26 122.07 3krz h ALA 148 Ca 0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3krz h ALA 148 Cb 0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3krz h ALA 148 CO 0.02 0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.55 3krz h ALA 149 N 1.23 1.01 -0.65 0.00 0.00 -0.77 0.70 119.26 120.79 3krz h ALA 149 Ca 0.21 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3krz h ALA 149 Cb 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3krz h ALA 149 CO -0.09 0.67 0.40 -0.22 0.00 0.00 0.00 179.25 180.01 3krz h LYS 150 N 1.13 0.76 -0.47 0.00 3.64 -0.97 -1.28 116.57 119.37 3krz h LYS 150 Ca 0.25 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3krz h LYS 150 Cb 0.29 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3krz h LYS 150 CO -0.01 0.50 -0.09 0.00 -2.27 0.00 0.00 179.45 177.58 3krz h ARG 151 N 0.78 0.84 -0.59 1.90 3.08 -0.73 -2.22 114.38 117.44 3krz h ARG 151 Ca 0.26 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3krz h ARG 151 Cb 0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3krz h ARG 151 CO -0.11 0.90 0.03 0.00 -1.07 0.00 0.00 179.97 179.72 3krz h ALA 152 N 1.13 0.94 -0.49 0.04 0.00 -0.53 -1.16 119.26 119.19 3krz h ALA 152 Ca 0.13 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3krz h ALA 152 Cb 0.59 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3krz h ALA 152 CO 0.04 0.64 0.06 -0.97 0.00 0.00 0.00 179.25 179.02 3krz h ASN 153 N 0.92 0.80 -0.54 0.00 -1.24 -1.05 -2.26 115.58 112.21 3krz h ASN 153 Ca 0.17 -0.27 -0.03 0.00 0.71 0.00 0.00 56.30 56.88 3krz h ASN 153 Cb 0.50 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 3krz h ASN 153 CO 0.02 0.87 0.23 -0.07 -1.29 0.00 0.00 177.43 177.19 3krz h LEU 154 N 0.70 0.76 -1.68 0.34 3.38 -1.10 -2.08 115.31 115.63 3krz h LEU 154 Ca 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3krz h LEU 154 Cb 0.42 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3krz h LEU 154 CO 0.01 0.68 -0.04 0.00 0.09 0.00 0.00 178.44 179.19 3krz h ALA 155 N 1.43 1.03 0.00 1.53 0.00 -1.03 -3.47 119.26 118.75 3krz h ALA 155 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3krz h ALA 155 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3krz h ALA 155 CO -0.02 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3krz n GLY 156 N -0.17 0.96 3.66 0.00 0.00 -0.78 -4.55 105.19 104.30 3krz n GLY 156 Ca -0.00 -0.01 -0.41 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 -2.08 1.70 0.04 1.61 4.01 -0.91 -4.94 117.16 116.60 3krz n TYR 157 Ca 0.00 0.54 -0.05 0.00 -0.16 0.00 0.00 57.90 58.22 3krz n TYR 157 Cb 0.00 -2.31 -0.10 0.00 -0.31 0.00 0.00 39.34 36.62 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 1.86 0.00 -3.71 7.72 3.32 -1.24 -3.44 116.42 120.92 3krz h ASP 158 Ca -0.46 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.36 3krz h ASP 158 Cb 1.31 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.58 3krz h ASP 158 CO 0.59 0.89 -0.71 -0.69 -1.72 0.00 0.00 179.24 177.59 3krz s VAL 159 N -2.73 -0.01 -0.08 -1.35 1.01 -1.10 -4.12 120.40 112.02 3krz s VAL 159 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3krz s VAL 159 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 36.38 36.42 3krz s VAL 159 CO 0.81 0.01 -0.11 0.54 0.00 0.00 0.00 175.10 176.35 3krz s VAL 160 N 0.12 3.29 -0.07 2.92 0.11 -1.15 -1.93 120.40 123.69 3krz s VAL 160 Ca -0.01 -0.62 0.05 0.00 -2.93 0.00 0.00 61.98 58.47 3krz s VAL 160 Cb -0.01 -2.34 -0.01 0.00 -1.53 0.00 0.00 36.38 32.49 3krz s VAL 160 CO -0.00 0.57 -0.23 -0.70 -3.33 0.00 0.00 175.10 171.40 3krz s GLU 161 N -0.41 2.76 -0.24 1.54 2.12 0.08 -0.20 118.70 124.34 3krz s GLU 161 Ca 0.05 -0.87 -0.15 0.00 0.36 0.00 0.00 54.97 54.35 3krz s GLU 161 Cb -0.12 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 3krz s GLU 161 CO 0.02 0.32 0.39 0.42 -0.54 0.00 0.00 175.26 175.88 3krz s ILE 162 N -0.01 5.18 -0.83 -3.70 1.01 -0.31 0.20 121.20 122.75 3krz s ILE 162 Ca -0.08 0.65 -0.24 0.00 0.00 0.00 0.00 60.65 60.98 3krz s ILE 162 Cb -0.15 -3.72 0.05 0.00 0.01 0.00 0.00 42.46 38.65 3krz s ILE 162 CO 0.05 0.20 1.26 -2.28 0.00 0.00 0.00 174.94 174.17 3krz s HIS 163 N 1.72 2.51 -0.25 3.97 2.46 -0.35 -1.35 115.29 124.00 3krz s HIS 163 Ca 0.17 -0.51 0.13 0.00 0.47 0.00 0.00 55.06 55.32 3krz s HIS 163 Cb -0.15 -4.56 0.60 0.00 -0.13 0.00 0.00 32.58 28.34 3krz s HIS 163 CO 0.09 -1.90 1.55 0.00 -2.47 0.00 0.00 174.74 172.00 3krz n ALA 164 N 8.66 3.75 -4.02 1.58 0.00 0.03 -4.59 120.51 125.93 3krz n ALA 164 Ca 0.13 -2.49 -0.09 0.00 0.00 0.00 0.00 53.44 50.99 3krz n ALA 164 Cb 0.49 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.51 0.15 -2.06 0.00 0.00 -1.11 -3.63 120.51 113.35 3krz n ALA 165 Ca 0.30 -0.66 -0.20 0.00 0.00 0.00 0.00 53.44 52.88 3krz n ALA 165 Cb 1.08 0.40 -0.04 0.00 0.00 0.00 0.00 19.45 20.88 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 -0.33 -0.57 -1.00 0.00 8.25 -1.22 -2.48 115.22 117.87 3krz n HIS 166 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3krz n HIS 166 Cb 0.19 -3.69 0.00 0.00 1.12 0.00 0.00 29.99 27.61 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 -0.80 0.52 0.00 -1.41 0.00 -1.25 -4.52 105.19 97.74 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 -2.93 -3.08 0.11 1.61 4.01 -1.04 -4.57 117.16 111.26 3krz n TYR 168 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 3krz n TYR 168 Cb 0.00 0.00 -0.06 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 -0.78 -0.39 7.72 5.85 -1.11 -0.66 115.31 125.94 3krz h LEU 169 Ca 0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3krz h LEU 169 Cb 0.00 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3krz h LEU 169 CO 0.00 -0.36 0.23 0.40 -0.34 0.00 0.00 178.44 178.37 3krz h ILE 170 N -0.48 1.14 -0.88 4.05 2.04 -1.81 -2.04 117.51 119.54 3krz h ILE 170 Ca 0.03 -0.34 0.12 0.00 1.00 0.00 0.00 64.86 65.67 3krz h ILE 170 Cb 0.51 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 3krz h ILE 170 CO -0.17 0.14 0.51 -0.74 0.00 0.00 0.00 178.15 177.89 3krz h HIS 171 N 0.51 0.91 -0.94 1.37 2.76 -1.54 -1.15 115.15 117.07 3krz h HIS 171 Ca 0.14 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.41 3krz h HIS 171 Cb 0.03 -0.27 -0.06 0.00 1.55 0.00 0.00 27.41 28.65 3krz h HIS 171 CO -0.03 0.33 0.61 0.93 -1.30 0.00 0.00 177.93 178.46 3krz h GLU 172 N 0.79 1.04 -0.13 5.26 5.08 -0.41 -0.86 114.58 125.35 3krz h GLU 172 Ca 0.45 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.60 3krz h GLU 172 Cb 0.49 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3krz h GLU 172 CO -0.29 0.69 -0.54 0.74 -1.00 0.00 0.00 179.01 178.61 3krz h PHE 173 N 1.07 0.46 -0.12 4.33 -1.00 -0.87 -3.20 116.94 117.61 3krz h PHE 173 Ca 0.41 -0.16 -0.16 0.00 2.81 0.00 0.00 57.97 60.86 3krz h PHE 173 Cb 0.20 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 3krz h PHE 173 CO -0.00 0.83 -0.61 -0.07 -1.61 0.00 0.00 178.31 176.85 3krz h LEU 174 N 0.29 0.48 -9.34 1.54 3.38 -0.19 -3.43 115.31 108.04 3krz h LEU 174 Ca 0.01 -0.28 -0.57 0.00 0.09 0.00 0.00 57.88 57.13 3krz h LEU 174 Cb 1.04 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 3krz h LEU 174 CO 0.09 0.98 -0.09 -0.55 0.09 0.00 0.00 178.44 178.95 3krz s SER 175 N -6.93 6.75 0.65 -0.43 0.15 -0.45 -4.90 113.70 108.54 3krz s SER 175 Ca -0.06 0.89 0.41 0.00 0.70 0.00 0.00 55.95 57.89 3krz s SER 175 Cb 0.11 -2.31 2.26 0.00 -1.71 0.00 0.00 66.02 64.37 3krz s SER 175 CO 0.83 -0.02 2.34 -0.65 1.20 0.00 0.00 173.24 176.93 3krz h PRO 176 N 6.72 0.00 0.00 5.44 0.11 -1.83 -0.82 132.00 141.62 3krz h PRO 176 Ca -0.41 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 3krz h PRO 176 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3krz h PRO 176 CO 0.75 0.00 -0.31 -0.07 -0.21 0.00 0.00 178.00 178.16 3krz h LEU 177 N 0.00 0.00 0.00 2.35 3.38 -1.92 -3.30 115.31 115.82 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 0.31 -0.57 -1.54 0.09 0.00 0.00 178.44 176.73 3krz n SER 178 N -3.46 1.62 -4.17 -0.43 3.41 -0.88 -4.92 113.62 104.79 3krz n SER 178 Ca 0.00 -0.37 -0.38 0.00 -0.26 0.00 0.00 58.87 57.86 3krz n SER 178 Cb 0.48 1.07 -0.11 0.00 -0.26 0.00 0.00 64.21 65.40 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 -1.81 5.39 -0.16 4.04 3.84 -0.37 -4.11 114.94 121.77 3krz s ASN 179 Ca 0.00 -1.86 0.16 0.00 0.21 0.00 0.00 52.86 51.37 3krz s ASN 179 Cb 0.03 -1.89 0.54 0.00 -0.55 0.00 0.00 41.25 39.39 3krz s ASN 179 CO 0.17 -0.55 1.45 0.29 -2.79 0.00 0.00 177.10 175.67 3krz n LYS 180 N 4.72 3.18 -1.72 0.43 4.76 -1.26 -4.65 118.16 123.62 3krz n LYS 180 Ca -0.06 -2.78 -0.34 0.00 -2.87 0.00 0.00 58.31 52.27 3krz n LYS 180 Cb 0.42 -1.82 0.06 0.00 -1.84 0.00 0.00 35.03 31.84 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 -2.53 2.66 -0.00 1.97 0.52 -1.26 -4.94 118.95 115.36 3krz s ARG 181 Ca 0.42 1.54 0.00 0.00 -0.52 0.00 0.00 55.73 57.17 3krz s ARG 181 Cb 0.32 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.87 3krz s ARG 181 CO 0.11 -1.39 0.96 1.63 0.02 0.00 0.00 175.30 176.64 3krz n LYS 182 N -2.37 2.75 -0.23 3.54 4.76 -1.26 -3.20 118.16 122.15 3krz n LYS 182 Ca 0.12 -1.44 0.00 0.00 -2.87 0.00 0.00 58.31 54.12 3krz n LYS 182 Cb 0.51 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 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 -0.47 0.00 0.00 4.39 5.68 -1.26 -4.92 116.55 119.97 3krz n ASP 183 Ca 0.00 -0.28 0.08 0.00 -0.50 0.00 0.00 54.79 54.09 3krz n ASP 183 Cb 0.27 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.68 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 -0.28 0.36 -0.16 0.11 0.00 -1.26 -2.09 120.64 117.32 3krz n GLU 184 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 57.16 57.32 3krz n GLU 184 Cb 0.00 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.11 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 -1.15 0.42 -4.15 -1.84 4.01 -1.26 -4.57 117.16 108.62 3krz n TYR 185 Ca 0.10 -0.29 -0.12 0.00 -0.16 0.00 0.00 57.90 57.42 3krz n TYR 185 Cb 0.09 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.18 1.31 -0.18 2.72 0.00 -0.89 -3.98 107.32 105.12 3krz s GLY 186 Ca 0.29 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.50 3krz s GLY 186 CO 0.23 -1.18 0.00 -2.01 0.00 0.00 0.00 173.10 170.15 3krz n ASN 187 N -0.54 -3.49 -3.48 1.64 5.15 -1.20 -4.60 115.26 108.75 3krz n ASN 187 Ca 0.02 0.04 -0.11 0.00 -0.60 0.00 0.00 54.58 53.93 3krz n ASN 187 Cb 0.64 -1.14 -0.03 0.00 -0.53 0.00 0.00 39.78 38.72 3krz n ASN 187 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3krz s SER 188 N -2.44 -0.46 0.27 1.20 1.04 -1.26 -5.01 113.70 107.04 3krz s SER 188 Ca 0.00 0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.49 3krz s SER 188 Cb 0.00 0.46 0.36 0.00 0.10 0.00 0.00 66.02 66.94 3krz s SER 188 CO 0.00 -0.72 1.92 -0.29 0.98 0.00 0.00 173.24 175.14 3krz h ILE 189 N 2.13 1.23 -0.69 -1.02 2.10 -1.99 -0.17 117.51 119.10 3krz h ILE 189 Ca -0.26 -0.50 -0.03 0.00 1.08 0.00 0.00 64.86 65.15 3krz h ILE 189 Cb 1.25 0.03 -0.03 0.00 -1.09 0.00 0.00 36.82 36.98 3krz h ILE 189 CO 0.34 0.24 0.31 -0.33 -1.08 0.00 0.00 178.15 177.63 3krz h GLU 190 N 1.16 1.02 -0.37 2.19 3.07 -1.97 -2.07 114.58 117.60 3krz h GLU 190 Ca 0.30 -0.17 -0.17 0.00 -0.50 0.00 0.00 59.36 58.83 3krz h GLU 190 Cb -0.06 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.67 3krz h GLU 190 CO -0.06 0.82 -0.41 -0.91 -1.40 0.00 0.00 179.01 177.05 3krz h ASN 191 N 0.98 1.00 0.23 1.42 2.35 -1.68 -2.94 115.58 116.94 3krz h ASN 191 Ca 0.23 -0.47 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 3krz h ASN 191 Cb 0.16 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3krz h ASN 191 CO -0.02 1.27 -0.24 0.03 -1.65 0.00 0.00 177.43 176.82 3krz h ARG 192 N 0.75 0.03 0.00 0.81 3.08 -0.89 -2.09 114.38 116.07 3krz h ARG 192 Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3krz h ARG 192 Cb 1.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3krz h ARG 192 CO 0.10 0.27 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 3krz n ALA 193 N -2.49 2.14 -0.18 0.04 0.00 -0.79 -3.96 120.51 115.26 3krz n ALA 193 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 3krz n ALA 193 Cb 0.30 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 0.60 -0.18 0.00 2.43 -1.20 -1.29 114.38 114.75 3krz h ARG 194 Ca 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3krz h ARG 194 Cb 0.50 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3krz h ARG 194 CO 0.00 0.40 0.10 0.35 -1.51 0.00 0.00 179.97 179.30 3krz h PHE 195 N 0.62 0.25 -0.46 2.20 3.57 -1.78 0.15 116.94 121.49 3krz h PHE 195 Ca 0.23 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.77 3krz h PHE 195 Cb 0.06 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3krz h PHE 195 CO -0.07 0.25 0.21 1.25 -2.23 0.00 0.00 178.31 177.72 3krz h LEU 196 N 0.18 0.28 -0.61 0.59 5.85 -1.71 -0.45 115.31 119.45 3krz h LEU 196 Ca 0.06 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3krz h LEU 196 Cb 0.09 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3krz h LEU 196 CO -0.01 0.20 0.28 0.40 -0.34 0.00 0.00 178.44 178.97 3krz h ILE 197 N 0.42 1.22 -0.75 4.05 2.04 -0.97 -0.72 117.51 122.79 3krz h ILE 197 Ca 0.21 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3krz h ILE 197 Cb 0.15 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3krz h ILE 197 CO -0.17 0.25 0.32 -0.33 0.00 0.00 0.00 178.15 178.22 3krz h GLU 198 N 0.83 1.11 -0.27 2.37 5.08 -0.52 -0.84 114.58 122.34 3krz h GLU 198 Ca 0.21 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3krz h GLU 198 Cb 0.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3krz h GLU 198 CO -0.02 0.89 0.14 0.28 -1.00 0.00 0.00 179.01 179.29 3krz h VAL 199 N 1.07 1.14 -0.49 3.13 2.07 -0.80 -0.81 116.25 121.57 3krz h VAL 199 Ca 0.25 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3krz h VAL 199 Cb 0.18 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3krz h VAL 199 CO -0.02 0.14 0.32 0.40 0.02 0.00 0.00 177.57 178.42 3krz h ILE 200 N 0.31 1.12 -0.78 4.57 2.04 -0.89 0.62 117.51 124.51 3krz h ILE 200 Ca 0.09 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3krz h ILE 200 Cb 0.10 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3krz h ILE 200 CO -0.01 0.12 0.33 0.44 0.00 0.00 0.00 178.15 179.03 3krz h ASP 201 N 0.66 1.06 -0.30 1.72 3.32 -0.92 -1.04 116.42 120.91 3krz h ASP 201 Ca 0.18 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3krz h ASP 201 Cb -0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 3krz h ASP 201 CO -0.04 0.93 -0.19 -0.08 -1.72 0.00 0.00 179.24 178.14 3krz h GLU 202 N 1.12 0.65 -0.48 3.56 4.57 -0.72 -2.17 114.58 121.11 3krz h GLU 202 Ca 0.26 -0.30 0.08 0.00 -1.18 0.00 0.00 59.36 58.22 3krz h GLU 202 Cb 0.19 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.70 3krz h GLU 202 CO -0.03 0.90 0.09 0.28 -1.18 0.00 0.00 179.01 179.08 3krz h VAL 203 N 0.40 0.73 0.00 0.32 2.07 -0.71 -2.59 116.25 116.48 3krz h VAL 203 Ca 0.06 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3krz h VAL 203 Cb 0.73 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3krz h VAL 203 CO 0.05 0.04 -0.15 -0.09 0.02 0.00 0.00 177.57 177.44 3krz h ARG 204 N 0.23 0.00 0.00 1.57 9.65 -0.99 0.06 114.38 124.90 3krz h ARG 204 Ca 0.24 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.10 3krz h ARG 204 Cb 0.31 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.89 3krz h ARG 204 CO -0.31 0.15 -0.08 0.87 2.80 0.00 0.00 179.97 183.40 3krz h LYS 205 N 0.00 0.00 -0.04 0.20 1.57 -0.99 -3.17 116.57 114.14 3krz h LYS 205 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3krz h LYS 205 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3krz h LYS 205 CO 0.02 0.08 0.00 0.09 -0.57 0.00 0.00 179.45 179.07 3krz n ASN 206 N -3.32 1.84 -3.96 0.86 3.02 -0.12 -4.99 115.26 108.58 3krz n ASN 206 Ca -0.01 -1.70 -0.25 0.00 -0.03 0.00 0.00 54.58 52.60 3krz n ASN 206 Cb 0.26 -0.03 -0.17 0.00 -0.61 0.00 0.00 39.78 39.24 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 -0.72 1.35 0.32 3.10 -0.11 -0.44 -3.58 118.94 118.86 3krz s TRP 207 Ca 0.04 -0.55 -0.28 0.00 1.22 0.00 0.00 56.10 56.52 3krz s TRP 207 Cb 0.02 -1.06 -0.13 0.00 -1.50 0.00 0.00 33.47 30.80 3krz s TRP 207 CO 0.03 -0.34 1.28 -2.30 -4.62 0.00 0.00 176.95 170.99 3krz n PRO 208 N 4.24 2.04 0.32 5.86 -0.02 -1.26 -4.78 135.00 141.40 3krz n PRO 208 Ca -0.19 0.72 0.21 0.00 -2.02 0.00 0.00 63.50 62.21 3krz n PRO 208 Cb 0.51 -2.29 1.10 0.00 -0.02 0.00 0.00 33.50 32.81 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 2.74 0.00 -0.22 -0.52 9.09 -2.00 -1.90 114.58 121.77 3krz h GLU 209 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 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 0.64 0.01 0.00 0.27 0.05 0.00 0.00 179.01 179.98 3krz n ASN 210 N -3.23 2.39 -4.60 3.06 6.94 -1.26 -4.84 115.26 113.72 3krz n ASN 210 Ca -0.03 -1.82 -0.34 0.00 -0.02 0.00 0.00 54.58 52.37 3krz n ASN 210 Cb 0.10 -0.14 -0.11 0.00 -2.36 0.00 0.00 39.78 37.27 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 -1.72 2.84 0.59 -3.83 1.02 -0.71 -1.52 119.74 116.41 3krz s LYS 211 Ca 0.34 -0.52 -0.18 0.00 0.02 0.00 0.00 55.97 55.63 3krz s LYS 211 Cb 0.20 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 3krz s LYS 211 CO 0.29 0.65 1.17 -2.14 -0.92 0.00 0.00 175.35 174.39 3krz s PRO 212 N -0.76 3.05 -0.15 -1.68 0.02 -1.26 -4.86 135.00 129.37 3krz s PRO 212 Ca 0.12 1.69 -0.00 0.00 0.02 0.00 0.00 61.00 62.82 3krz s PRO 212 Cb -0.11 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 3krz s PRO 212 CO 0.02 -1.11 -0.13 0.42 -0.33 0.00 0.00 177.00 175.86 3krz s ILE 213 N -1.77 2.89 0.22 2.83 1.01 -1.26 -2.93 121.20 122.18 3krz s ILE 213 Ca 0.74 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.75 3krz s ILE 213 Cb -0.27 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3krz s ILE 213 CO 0.32 0.51 0.24 -0.36 0.00 0.00 0.00 174.94 175.65 3krz s PHE 214 N 0.66 3.26 -0.07 3.97 0.40 0.72 -1.02 117.98 125.89 3krz s PHE 214 Ca -0.07 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 3krz s PHE 214 Cb -0.15 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 41.89 3krz s PHE 214 CO 0.02 0.50 -0.09 0.08 0.70 0.00 0.00 175.22 176.43 3krz s VAL 215 N -1.96 0.96 -0.13 -0.44 1.01 -0.88 -1.16 120.40 117.80 3krz s VAL 215 Ca 0.33 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 3krz s VAL 215 Cb -0.09 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3krz s VAL 215 CO 0.26 0.33 0.51 -0.60 0.00 0.00 0.00 175.10 175.60 3krz s ARG 216 N 1.04 4.33 0.20 2.72 3.52 -0.46 -0.57 118.95 129.73 3krz s ARG 216 Ca -0.08 0.49 0.09 0.00 -0.13 0.00 0.00 55.73 56.10 3krz s ARG 216 Cb -0.14 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.74 3krz s ARG 216 CO -0.01 0.10 -0.18 0.14 -0.81 0.00 0.00 175.30 174.55 3krz s VAL 217 N 0.81 1.95 -0.39 7.11 -7.23 -0.67 -0.79 120.40 121.19 3krz s VAL 217 Ca 0.27 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.20 3krz s VAL 217 Cb -0.15 -2.01 0.03 0.00 0.56 0.00 0.00 36.38 34.80 3krz s VAL 217 CO 0.11 -0.41 0.25 -0.44 -0.31 0.00 0.00 175.10 174.29 3krz s SER 218 N -3.04 5.89 0.00 4.85 0.01 -1.26 -0.63 113.70 119.52 3krz s SER 218 Ca 0.21 -0.97 0.29 0.00 1.31 0.00 0.00 55.95 56.79 3krz s SER 218 Cb -0.04 -2.08 1.31 0.00 0.21 0.00 0.00 66.02 65.43 3krz s SER 218 CO 0.08 -0.42 1.94 0.00 0.41 0.00 0.00 173.24 175.26 3krz n ALA 219 N 5.06 2.55 -3.52 1.44 0.00 0.08 -4.77 120.51 121.34 3krz n ALA 219 Ca -0.11 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 3krz n ALA 219 Cb 0.46 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.73 -0.59 0.02 0.00 -1.08 -1.26 -2.82 116.67 108.20 3krz s ASP 220 Ca 0.23 1.07 0.24 0.00 -0.52 0.00 0.00 52.55 53.57 3krz s ASP 220 Cb 0.20 1.03 0.24 0.00 -1.46 0.00 0.00 42.92 42.92 3krz s ASP 220 CO 0.50 -0.19 1.21 0.47 0.52 0.00 0.00 175.17 177.68 3krz n ASP 221 N 3.41 0.64 -3.24 -0.34 8.00 -0.50 -0.96 116.55 123.55 3krz n ASP 221 Ca -0.17 -0.36 -0.23 0.00 0.71 0.00 0.00 54.79 54.73 3krz n ASP 221 Cb 0.56 0.53 0.05 0.00 -0.02 0.00 0.00 41.12 42.24 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 -1.65 -2.27 -3.72 1.24 4.01 -1.26 -4.88 117.16 108.63 3krz n TYR 222 Ca 0.04 0.69 -0.12 0.00 -0.16 0.00 0.00 57.90 58.35 3krz n TYR 222 Cb 0.37 -4.61 -0.10 0.00 -0.31 0.00 0.00 39.34 34.68 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 -5.94 0.45 0.19 -0.72 -1.94 -1.26 -4.98 119.30 105.11 3krz s MET 223 Ca 0.41 0.64 -0.33 0.00 -1.71 0.00 0.00 55.69 54.70 3krz s MET 223 Cb -0.18 0.15 -0.14 0.00 2.01 0.00 0.00 34.83 36.67 3krz s MET 223 CO 0.51 -0.09 1.48 -1.91 -0.01 0.00 0.00 175.02 174.99 3krz n GLU 224 N 3.33 2.02 -0.11 2.03 4.07 -1.26 -1.75 120.64 128.97 3krz n GLU 224 Ca -0.17 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.66 3krz n GLU 224 Cb 0.56 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.52 3krz n GLU 224 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3krz n GLY 225 N 2.77 1.22 0.00 8.31 0.00 -1.26 -5.04 105.19 111.19 3krz n GLY 225 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 1.39 3.76 -0.02 0.00 -0.72 -4.33 105.19 103.28 3krz n GLY 226 Ca 0.00 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 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 1.00 2.38 0.34 -0.61 1.01 -1.26 -4.90 121.20 119.15 3krz s ILE 227 Ca 0.00 0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.04 3krz s ILE 227 Cb 0.00 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3krz s ILE 227 CO 0.00 0.07 0.19 0.54 0.00 0.00 0.00 174.94 175.74 3krz s ASN 228 N 0.09 1.90 0.35 3.58 2.20 -1.26 -1.41 114.94 120.40 3krz s ASN 228 Ca 0.56 -1.66 0.04 0.00 -0.94 0.00 0.00 52.86 50.86 3krz s ASN 228 Cb -0.44 0.49 0.67 0.00 -2.00 0.00 0.00 41.25 39.97 3krz s ASN 228 CO 0.51 -0.96 1.99 -0.29 -2.94 0.00 0.00 177.10 175.41 3krz h ILE 229 N 2.08 1.10 -0.46 0.54 6.09 -1.93 -1.26 117.51 123.67 3krz h ILE 229 Ca -0.31 -0.28 -0.01 0.00 -1.37 0.00 0.00 64.86 62.88 3krz h ILE 229 Cb 1.25 0.20 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 3krz h ILE 229 CO 0.48 0.15 0.24 0.44 -3.07 0.00 0.00 178.15 176.39 3krz h ASP 230 N 0.83 0.59 -0.74 2.19 3.32 -1.97 -0.76 116.42 119.88 3krz h ASP 230 Ca 0.27 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3krz h ASP 230 Cb 0.06 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3krz h ASP 230 CO -0.08 0.53 0.31 -0.03 -1.72 0.00 0.00 179.24 178.26 3krz h MET 231 N 0.61 1.09 -0.36 3.56 4.05 -1.72 -2.53 114.93 119.62 3krz h MET 231 Ca 0.16 -0.19 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 3krz h MET 231 Cb 0.08 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 3krz h MET 231 CO -0.02 0.88 -0.21 1.98 0.23 0.00 0.00 176.91 179.77 3krz h MET 232 N 1.05 0.70 -0.54 0.39 1.85 -0.96 -1.59 114.93 115.83 3krz h MET 232 Ca 0.25 -0.27 0.06 0.00 -0.61 0.00 0.00 59.70 59.12 3krz h MET 232 Cb 0.18 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.13 3krz h MET 232 CO -0.02 0.86 0.26 0.28 -0.40 0.00 0.00 176.91 177.89 3krz h VAL 233 N 0.62 0.92 -0.44 -5.77 2.07 -1.00 0.12 116.25 112.77 3krz h VAL 233 Ca 0.09 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3krz h VAL 233 Cb 0.69 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3krz h VAL 233 CO 0.05 0.09 0.24 -0.33 0.02 0.00 0.00 177.57 177.64 3krz h GLU 234 N 0.50 0.46 -0.49 1.57 5.08 -1.00 -0.40 114.58 120.30 3krz h GLU 234 Ca 0.25 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3krz h GLU 234 Cb 0.18 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3krz h GLU 234 CO -0.19 0.30 0.24 1.88 -1.00 0.00 0.00 179.01 180.24 3krz h TYR 235 N 0.47 0.70 -0.38 4.33 0.05 -0.74 -2.72 116.97 118.68 3krz h TYR 235 Ca 0.19 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.87 3krz h TYR 235 Cb 0.07 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3krz h TYR 235 CO -0.09 0.55 -0.06 0.82 -1.05 0.00 0.00 178.16 178.33 3krz h ILE 236 N 0.65 1.23 -0.14 -2.88 1.08 -0.46 -1.70 117.51 115.29 3krz h ILE 236 Ca 0.17 -0.99 0.02 0.00 -0.39 0.00 0.00 64.86 63.67 3krz h ILE 236 Cb 0.11 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 3krz h ILE 236 CO -0.02 0.34 0.09 0.78 -0.69 0.00 0.00 178.15 178.65 3krz h ASN 237 N 0.59 0.08 1.10 1.72 2.35 -0.78 0.27 115.58 120.92 3krz h ASN 237 Ca 0.11 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 3krz h ASN 237 Cb 0.46 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3krz h ASN 237 CO 0.02 0.05 -0.32 0.24 -1.65 0.00 0.00 177.43 175.78 3krz h MET 238 N 0.09 0.00 -0.00 0.81 2.86 -1.06 -3.35 114.93 114.28 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 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3krz h MET 238 CO -0.01 0.32 -0.11 0.44 1.06 0.00 0.00 176.91 178.61 3krz n ILE 239 N -3.36 0.00 0.28 -1.22 -5.35 -0.58 -4.77 119.36 104.36 3krz n ILE 239 Ca 0.01 -0.44 0.14 0.00 -0.27 0.00 0.00 62.75 62.19 3krz n ILE 239 Cb 0.53 1.04 0.80 0.00 -1.74 0.00 0.00 39.64 40.27 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 0.35 0.00 -0.00 6.28 2.10 -1.12 -0.38 116.57 123.80 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 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3krz h LYS 240 CO 0.00 0.08 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.27 3krz n ASP 241 N -3.61 0.02 -0.00 7.07 8.00 -1.26 -3.75 116.55 123.02 3krz n ASP 241 Ca -0.02 -0.12 0.01 0.00 0.71 0.00 0.00 54.79 55.37 3krz n ASP 241 Cb 0.20 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.29 5.16 -4.38 -1.24 4.01 -0.18 -5.05 118.16 115.20 3krz n LYS 242 Ca 0.14 -0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.74 3krz n LYS 242 Cb 0.25 -0.70 -0.10 0.00 -0.51 0.00 0.00 35.03 33.97 3krz n LYS 242 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3krz s VAL 243 N -1.41 1.31 -0.09 -0.18 -7.23 -1.05 -4.88 120.40 106.87 3krz s VAL 243 Ca 0.01 -2.07 0.12 0.00 -1.81 0.00 0.00 61.98 58.22 3krz s VAL 243 Cb 0.02 -2.41 -0.17 0.00 0.56 0.00 0.00 36.38 34.38 3krz s VAL 243 CO 0.12 -0.30 0.12 0.47 -0.31 0.00 0.00 175.10 175.20 3krz n ASP 244 N -0.50 1.96 -3.66 4.85 8.00 -0.19 -4.82 116.55 122.19 3krz n ASP 244 Ca -0.05 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.31 3krz n ASP 244 Cb 0.64 1.05 -0.08 0.00 -0.02 0.00 0.00 41.12 42.70 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 -4.61 -0.33 -0.27 0.64 0.20 -1.22 -4.21 118.68 108.89 3krz s LEU 245 Ca -0.06 1.18 -0.09 0.00 0.69 0.00 0.00 54.13 55.86 3krz s LEU 245 Cb 0.05 2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 47.88 3krz s LEU 245 CO 0.52 -0.24 0.12 -0.63 -0.29 0.00 0.00 176.35 175.83 3krz s ILE 246 N 0.22 4.60 -0.50 6.68 -1.09 -0.29 -2.07 121.20 128.75 3krz s ILE 246 Ca -0.01 -0.16 -0.24 0.00 -2.23 0.00 0.00 60.65 58.01 3krz s ILE 246 Cb -0.04 -3.21 0.03 0.00 -1.58 0.00 0.00 42.46 37.66 3krz s ILE 246 CO 0.01 0.25 0.88 -0.62 -1.23 0.00 0.00 174.94 174.24 3krz s ASP 247 N 1.65 6.39 -0.32 3.58 -1.08 0.27 -1.55 116.67 125.61 3krz s ASP 247 Ca 0.06 -0.20 -0.15 0.00 -0.52 0.00 0.00 52.55 51.75 3krz s ASP 247 Cb -0.16 -2.42 -0.02 0.00 -1.46 0.00 0.00 42.92 38.86 3krz s ASP 247 CO 0.06 -1.09 0.36 -0.69 0.52 0.00 0.00 175.17 174.32 3krz s VAL 248 N 3.68 5.18 0.00 1.11 1.01 -0.83 -1.66 120.40 128.88 3krz s VAL 248 Ca 0.31 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3krz s VAL 248 Cb -0.12 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3krz s VAL 248 CO 0.22 0.00 0.00 -0.24 0.00 0.00 0.00 175.10 175.08 3krz n SER 249 N 5.35 1.23 -3.78 3.32 2.88 0.20 -4.18 113.62 118.64 3krz n SER 249 Ca -0.09 -0.17 -0.07 0.00 -1.33 0.00 0.00 58.87 57.21 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 0.66 -0.27 0.30 -3.46 1.04 -1.26 -0.74 113.70 109.97 3krz s SER 250 Ca 0.00 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3krz s SER 250 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3krz s SER 250 CO 0.00 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.66 3krz n GLY 251 N -0.45 -1.85 0.00 7.32 0.00 -0.14 -4.73 105.19 105.35 3krz n GLY 251 Ca -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.29 3.01 0.07 -0.02 0.00 -1.26 -3.37 105.19 102.33 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 0.06 -8.04 0.99 5.85 -1.86 -3.30 115.31 109.00 3krz h LEU 253 Ca 0.00 -0.50 -0.15 0.00 0.84 0.00 0.00 57.88 58.07 3krz h LEU 253 Cb 0.00 -0.02 -0.19 0.00 0.37 0.00 0.00 40.66 40.82 3krz h LEU 253 CO 0.00 0.54 -0.67 -0.76 -0.34 0.00 0.00 178.44 177.21 3krz s LEU 254 N -9.19 2.26 0.08 2.25 1.43 -1.26 -4.83 118.68 109.41 3krz s LEU 254 Ca -0.16 -0.64 -0.32 0.00 -1.03 0.00 0.00 54.13 51.98 3krz s LEU 254 Cb 0.02 0.18 -0.11 0.00 0.03 0.00 0.00 46.19 46.32 3krz s LEU 254 CO 0.69 -0.41 1.85 -3.20 0.23 0.00 0.00 176.35 175.51 3krz n ASN 255 N 1.09 3.89 -3.78 2.29 5.15 -1.26 -4.99 115.26 117.64 3krz n ASN 255 Ca -0.21 0.98 -0.13 0.00 -0.60 0.00 0.00 54.58 54.62 3krz n ASN 255 Cb 0.57 -1.50 -0.09 0.00 -0.53 0.00 0.00 39.78 38.22 3krz n ASN 255 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3krz s VAL 256 N 3.12 0.05 -0.16 3.44 -7.23 -1.26 -5.13 120.40 113.23 3krz s VAL 256 Ca 0.85 -0.39 -0.29 0.00 -1.81 0.00 0.00 61.98 60.34 3krz s VAL 256 Cb -0.53 -0.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 3krz s VAL 256 CO 0.41 -0.21 1.16 -1.81 -0.31 0.00 0.00 175.10 174.33 3krz s ASP 257 N -0.96 7.04 -0.08 4.85 1.01 -1.26 -5.02 116.67 122.25 3krz s ASP 257 Ca -0.10 1.60 0.04 0.00 0.71 0.00 0.00 52.55 54.80 3krz s ASP 257 Cb -0.05 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3krz s ASP 257 CO 0.03 -0.67 -0.20 -0.63 0.21 0.00 0.00 175.17 173.91 3krz s ILE 258 N 3.00 2.47 -0.23 0.77 1.01 -1.26 -5.09 121.20 121.87 3krz s ILE 258 Ca 0.51 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 3krz s ILE 258 Cb -0.20 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 3krz s ILE 258 CO 0.14 0.56 1.43 0.21 0.00 0.00 0.00 174.94 177.27 3krz s ASN 259 N -0.02 6.62 -0.14 3.58 2.47 -1.26 -5.02 114.94 121.18 3krz s ASN 259 Ca -0.06 1.51 -0.04 0.00 0.42 0.00 0.00 52.86 54.68 3krz s ASN 259 Cb -0.15 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.08 3krz s ASN 259 CO 0.05 -1.07 0.01 -0.76 -3.72 0.00 0.00 177.10 171.60 3krz s LEU 260 N 4.47 3.56 0.08 3.21 1.43 -1.26 -4.97 118.68 125.20 3krz s LEU 260 Ca 0.62 0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 53.50 3krz s LEU 260 Cb -0.22 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.23 3krz s LEU 260 CO 0.24 0.25 0.88 -0.72 0.23 0.00 0.00 176.35 177.24 3krz s TYR 261 N -0.13 -0.28 0.01 0.29 -0.85 -1.26 -5.08 117.35 110.05 3krz s TYR 261 Ca 0.05 0.06 -0.35 0.00 -0.52 0.00 0.00 57.07 56.32 3krz s TYR 261 Cb -0.13 0.58 -0.13 0.00 0.38 0.00 0.00 41.96 42.67 3krz s TYR 261 CO 0.02 -0.70 1.72 -2.30 -1.52 0.00 0.00 175.55 172.77 3krz n PRO 262 N -0.35 2.03 -1.28 -3.49 -0.02 -1.26 -2.01 135.00 128.62 3krz n PRO 262 Ca -0.08 0.74 -0.02 0.00 -2.02 0.00 0.00 63.50 62.12 3krz n PRO 262 Cb 0.62 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.88 0.48 0.05 -1.23 0.00 -0.77 -4.93 105.19 102.67 3krz n GLY 263 Ca 0.20 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.19 0.27 0.36 1.61 0.18 -0.85 -1.57 117.16 113.98 3krz n TYR 264 Ca -0.02 0.12 0.06 0.00 1.88 0.00 0.00 57.90 59.93 3krz n TYR 264 Cb 0.17 -0.69 0.06 0.00 -0.38 0.00 0.00 39.34 38.51 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 -1.76 0.92 -0.15 -3.48 6.02 -1.26 -4.70 117.38 112.97 3krz n GLN 265 Ca 0.02 -1.31 -0.06 0.00 -0.01 0.00 0.00 57.00 55.64 3krz n GLN 265 Cb 0.14 -1.22 0.11 0.00 1.02 0.00 0.00 30.24 30.29 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 2.17 1.25 -0.52 5.09 2.07 -1.54 -2.86 116.25 121.90 3krz h VAL 266 Ca 0.00 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 3krz h VAL 266 Cb 0.51 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3krz h VAL 266 CO 0.00 0.38 0.18 0.11 0.02 0.00 0.00 177.57 178.26 3krz h LYS 267 N 0.84 0.77 -0.68 1.57 1.57 -1.84 -0.87 116.57 117.93 3krz h LYS 267 Ca 0.16 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3krz h LYS 267 Cb 0.49 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3krz h LYS 267 CO 0.02 0.65 0.19 1.88 -0.57 0.00 0.00 179.45 181.63 3krz h TYR 268 N 0.75 1.12 -0.72 -1.35 0.05 -1.85 -0.38 116.97 114.59 3krz h TYR 268 Ca 0.18 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 3krz h TYR 268 Cb 0.19 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 3krz h TYR 268 CO 0.01 0.91 0.30 0.00 -1.05 0.00 0.00 178.16 178.33 3krz h ALA 269 N 1.08 0.94 -0.36 3.88 0.00 -1.10 -1.60 119.26 122.10 3krz h ALA 269 Ca 0.22 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3krz h ALA 269 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3krz h ALA 269 CO -0.00 0.55 -0.25 1.49 0.00 0.00 0.00 179.25 181.04 3krz h GLU 270 N 1.03 0.80 -0.22 0.00 4.81 -0.88 -1.93 114.58 118.19 3krz h GLU 270 Ca 0.24 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 3krz h GLU 270 Cb 0.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3krz h GLU 270 CO -0.02 1.02 0.08 1.15 -0.73 0.00 0.00 179.01 180.50 3krz h THR 271 N 0.59 1.18 -0.46 0.32 2.02 -0.94 -1.05 112.91 114.57 3krz h THR 271 Ca 0.07 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 3krz h THR 271 Cb 0.82 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3krz h THR 271 CO 0.07 0.18 0.27 0.40 0.37 0.00 0.00 175.52 176.81 3krz h ILE 272 N 0.20 1.15 -0.52 3.11 2.04 -1.33 0.11 117.51 122.27 3krz h ILE 272 Ca 0.07 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.65 3krz h ILE 272 Cb 0.21 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3krz h ILE 272 CO -0.00 0.15 0.20 0.50 0.00 0.00 0.00 178.15 179.00 3krz h LYS 273 N 0.61 0.37 0.13 2.37 3.64 -1.04 -0.90 116.57 121.74 3krz h LYS 273 Ca 0.16 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.35 3krz h LYS 273 Cb 0.01 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3krz h LYS 273 CO -0.03 0.25 -0.75 0.87 -2.27 0.00 0.00 179.45 177.51 3krz h LYS 274 N 0.38 0.29 -0.03 1.90 6.56 -1.03 -2.15 116.57 122.49 3krz h LYS 274 Ca 0.25 -0.48 -0.14 0.00 -1.06 0.00 0.00 60.65 59.22 3krz h LYS 274 Cb 0.26 0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 32.08 3krz h LYS 274 CO -0.24 1.22 -0.62 0.00 -2.06 0.00 0.00 179.45 177.75 3krz h ARG 275 N -0.40 0.10 -0.01 3.15 3.08 -0.75 -3.28 114.38 116.27 3krz h ARG 275 Ca -0.13 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3krz h ARG 275 Cb 1.59 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.65 3krz h ARG 275 CO 0.14 0.68 -0.42 0.00 -1.07 0.00 0.00 179.97 179.31 3krz n ASN 277 N -0.38 -4.37 -4.02 0.00 5.15 -0.82 -4.99 115.26 105.83 3krz n ASN 277 Ca 0.06 -0.95 -0.10 0.00 -0.60 0.00 0.00 54.58 52.99 3krz n ASN 277 Cb 0.32 -3.66 -0.11 0.00 -0.53 0.00 0.00 39.78 35.80 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 -3.54 0.24 0.48 -1.44 2.07 -1.13 -5.07 121.20 112.82 3krz s ILE 278 Ca 0.36 -1.08 -0.23 0.00 -1.41 0.00 0.00 60.65 58.28 3krz s ILE 278 Cb -0.12 -0.53 -0.07 0.00 0.13 0.00 0.00 42.46 41.88 3krz s ILE 278 CO 0.84 -0.54 1.24 -0.54 -1.91 0.00 0.00 174.94 174.04 3krz s LYS 279 N -1.84 3.60 0.10 3.50 1.02 -1.26 -4.30 119.74 120.55 3krz s LYS 279 Ca -0.11 1.97 0.01 0.00 0.02 0.00 0.00 55.97 57.87 3krz s LYS 279 Cb -0.07 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3krz s LYS 279 CO -0.02 -0.74 -0.06 0.95 -0.92 0.00 0.00 175.35 174.56 3krz s THR 280 N -1.43 0.64 0.04 2.17 -4.23 -1.26 -1.14 115.64 110.43 3krz s THR 280 Ca 0.65 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 59.32 3krz s THR 280 Cb -0.34 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 3krz s THR 280 CO 0.41 -0.87 -0.22 -0.55 -0.54 0.00 0.00 174.62 172.85 3krz s SER 281 N -3.03 3.51 0.02 3.99 0.15 -0.59 -0.41 113.70 117.33 3krz s SER 281 Ca 0.12 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.29 3krz s SER 281 Cb 0.06 -0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 3krz s SER 281 CO -0.05 0.26 -0.03 0.00 1.20 0.00 0.00 173.24 174.62 3krz s ALA 282 N -0.87 3.18 -0.07 5.45 0.00 -0.75 -1.96 121.76 126.74 3krz s ALA 282 Ca 0.13 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 3krz s ALA 282 Cb -0.10 -1.22 0.05 0.00 0.00 0.00 0.00 23.12 21.84 3krz s ALA 282 CO 0.04 0.65 0.50 0.54 0.00 0.00 0.00 175.76 177.48 3krz s VAL 283 N -1.10 0.02 0.00 0.00 0.11 -1.26 -0.80 120.40 117.37 3krz s VAL 283 Ca 0.20 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 3krz s VAL 283 Cb -0.11 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 3krz s VAL 283 CO 0.11 -0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 3krz n GLY 284 N 1.48 2.40 2.36 6.54 0.00 -1.26 -4.32 105.19 112.40 3krz n GLY 284 Ca -0.19 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.60 -4.63 0.99 4.77 -1.26 -1.84 117.00 113.43 3krz n LEU 285 Ca 0.00 0.11 -0.39 0.00 -0.03 0.00 0.00 56.01 55.70 3krz n LEU 285 Cb 0.00 -2.42 -0.08 0.00 -2.33 0.00 0.00 43.42 38.59 3krz n LEU 285 CO 0.00 -0.38 0.19 -0.63 -1.33 0.00 0.00 177.39 175.24 3krz s ILE 286 N -2.77 5.12 0.00 -0.08 1.01 -1.26 -4.15 121.20 119.07 3krz s ILE 286 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.46 3krz s ILE 286 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3krz s ILE 286 CO 0.00 0.14 0.00 0.35 0.00 0.00 0.00 174.94 175.43 3krz n THR 287 N 4.90 0.00 -4.19 2.92 -2.24 -1.26 -4.77 114.28 109.64 3krz n THR 287 Ca -0.06 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 3krz n THR 287 Cb 0.50 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.93 3.99 0.37 4.28 -4.23 -1.26 -4.99 115.64 112.87 3krz s THR 288 Ca 0.00 -0.90 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 3krz s THR 288 Cb 0.00 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 71.26 3krz s THR 288 CO 0.00 0.20 2.00 -0.61 -0.54 0.00 0.00 174.62 175.67 3krz h GLN 289 N 3.73 0.71 0.06 3.99 4.15 -1.98 -2.10 115.11 123.67 3krz h GLN 289 Ca -0.48 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 58.89 3krz h GLN 289 Cb 1.17 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.70 3krz h GLN 289 CO 0.58 0.47 -0.03 1.49 -1.93 0.00 0.00 178.83 179.42 3krz h GLU 290 N 0.73 -0.08 -0.58 1.69 4.81 -1.99 0.25 114.58 119.42 3krz h GLU 290 Ca 0.24 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 3krz h GLU 290 Cb 0.06 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3krz h GLU 290 CO -0.07 -0.05 -0.00 1.25 -0.73 0.00 0.00 179.01 179.42 3krz h LEU 291 N -0.09 1.00 -0.55 1.64 5.85 -1.93 -1.38 115.31 119.85 3krz h LEU 291 Ca -0.01 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3krz h LEU 291 Cb 0.07 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3krz h LEU 291 CO 0.01 1.06 0.35 0.00 -0.34 0.00 0.00 178.44 179.53 3krz h ALA 292 N 0.97 0.70 -0.65 1.25 0.00 -1.16 -1.27 119.26 119.11 3krz h ALA 292 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3krz h ALA 292 Cb 0.55 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3krz h ALA 292 CO 0.03 0.16 0.28 0.93 0.00 0.00 0.00 179.25 180.66 3krz h GLU 293 N 0.75 0.95 -0.42 0.00 5.08 -0.80 -2.30 114.58 117.83 3krz h GLU 293 Ca 0.20 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3krz h GLU 293 Cb -0.05 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 3krz h GLU 293 CO -0.04 0.78 0.23 1.49 -1.00 0.00 0.00 179.01 180.47 3krz h GLU 294 N 0.90 0.46 -0.10 2.33 4.22 -0.67 0.08 114.58 121.80 3krz h GLU 294 Ca 0.22 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.65 3krz h GLU 294 Cb 0.16 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3krz h GLU 294 CO -0.02 0.30 -0.02 0.82 -2.18 0.00 0.00 179.01 177.91 3krz h ILE 295 N 0.47 0.91 -0.22 2.32 2.04 -1.10 -0.58 117.51 121.35 3krz h ILE 295 Ca 0.17 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.94 3krz h ILE 295 Cb 0.03 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3krz h ILE 295 CO -0.09 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.77 3krz h LEU 296 N 0.00 0.57 -0.83 1.44 3.38 -1.28 -0.33 115.31 118.27 3krz h LEU 296 Ca 0.05 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.43 3krz h LEU 296 Cb 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3krz h LEU 296 CO -0.10 0.93 -0.36 0.28 0.09 0.00 0.00 178.44 179.28 3krz h SER 297 N 0.23 0.46 -0.09 -0.43 0.02 -0.90 -1.94 113.55 110.90 3krz h SER 297 Ca 0.04 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3krz h SER 297 Cb 0.76 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3krz h SER 297 CO 0.05 0.79 0.00 0.59 -1.14 0.00 0.00 176.83 177.12 3krz n ASN 298 N -4.05 0.58 -3.69 3.07 5.03 -0.23 -4.92 115.26 111.05 3krz n ASN 298 Ca -0.01 -1.77 -0.24 0.00 0.87 0.00 0.00 54.58 53.43 3krz n ASN 298 Cb 0.47 -0.06 0.06 0.00 -1.02 0.00 0.00 39.78 39.23 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 -0.29 -6.43 0.13 3.52 1.02 -0.73 -4.90 120.64 112.97 3krz n GLU 299 Ca 0.09 0.72 0.12 0.00 -0.02 0.00 0.00 57.16 58.07 3krz n GLU 299 Cb 0.12 -5.63 0.05 0.00 -0.02 0.00 0.00 31.44 25.97 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 -2.22 0.00 -2.63 3.49 3.08 -1.28 -3.48 114.38 111.34 3krz h ARG 300 Ca -0.58 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.56 3krz h ARG 300 Cb 1.36 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.32 3krz h ARG 300 CO 0.59 0.00 0.37 0.00 -1.07 0.00 0.00 179.97 179.85 3krz s ALA 301 N -3.32 -1.58 -0.13 0.04 0.00 -1.24 -2.50 121.76 113.03 3krz s ALA 301 Ca 0.02 0.31 0.18 0.00 0.00 0.00 0.00 51.96 52.47 3krz s ALA 301 Cb 0.09 0.69 -0.24 0.00 0.00 0.00 0.00 23.12 23.66 3krz s ALA 301 CO 0.76 -0.90 0.40 -0.25 0.00 0.00 0.00 175.76 175.77 3krz n ASP 302 N -0.39 0.31 -4.15 0.00 8.00 0.45 -4.56 116.55 116.20 3krz n ASP 302 Ca -0.09 0.14 -0.19 0.00 0.71 0.00 0.00 54.79 55.36 3krz n ASP 302 Cb 0.61 0.87 -0.13 0.00 -0.02 0.00 0.00 41.12 42.46 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 -5.44 2.22 -0.19 0.64 1.43 -1.08 -4.87 118.68 111.38 3krz s LEU 303 Ca -0.07 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 3krz s LEU 303 Cb 0.08 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.75 3krz s LEU 303 CO 0.84 -0.02 -0.04 -0.69 0.23 0.00 0.00 176.35 176.67 3krz s VAL 304 N -1.04 3.59 -0.18 -1.59 1.01 0.04 -1.81 120.40 120.42 3krz s VAL 304 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 3krz s VAL 304 Cb -0.09 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 3krz s VAL 304 CO 0.02 0.45 0.14 0.00 0.00 0.00 0.00 175.10 175.70 3krz s ALA 305 N 1.02 3.73 -0.12 5.51 0.00 0.02 -1.00 121.76 130.93 3krz s ALA 305 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3krz s ALA 305 Cb -0.15 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 3krz s ALA 305 CO 0.01 0.26 -0.17 -0.51 0.00 0.00 0.00 175.76 175.35 3krz s LEU 306 N 0.04 2.48 0.00 0.00 1.43 -0.37 -4.45 118.68 117.82 3krz s LEU 306 Ca 0.10 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3krz s LEU 306 Cb -0.11 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3krz s LEU 306 CO -0.00 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3krz n GLY 307 N 3.47 -0.06 0.35 -3.19 0.00 -1.26 -1.33 105.19 103.17 3krz n GLY 307 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 0.63 -0.68 1.61 3.08 -1.95 -0.64 114.38 116.43 3krz h ARG 308 Ca 0.00 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3krz h ARG 308 Cb 0.00 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 3krz h ARG 308 CO 0.00 0.42 0.45 1.49 -1.07 0.00 0.00 179.97 181.25 3krz h GLU 309 N 0.65 0.71 0.00 0.04 4.57 -1.88 -1.36 114.58 117.31 3krz h GLU 309 Ca 0.30 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3krz h GLU 309 Cb 0.33 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3krz h GLU 309 CO -0.10 0.47 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.09 3krz h LEU 310 N 0.73 0.00 -0.06 1.64 3.38 -1.33 0.56 115.31 120.24 3krz h LEU 310 Ca 0.29 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 3krz h LEU 310 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3krz h LEU 310 CO -0.09 0.01 -0.25 -0.07 0.09 0.00 0.00 178.44 178.12 3krz h LEU 311 N 0.00 0.32 0.00 1.67 3.38 -1.08 -3.22 115.31 116.39 3krz h LEU 311 Ca 0.00 -0.65 -0.07 0.00 0.09 0.00 0.00 57.88 57.25 3krz h LEU 311 Cb 0.77 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3krz h LEU 311 CO 0.00 0.92 -0.60 0.08 0.09 0.00 0.00 178.44 178.93 3krz h ARG 312 N -0.26 0.00 -2.01 1.13 0.11 -1.37 -3.40 114.38 108.58 3krz h ARG 312 Ca -0.02 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.51 3krz h ARG 312 Cb 0.91 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 31.60 3krz h ARG 312 CO 0.05 0.24 -1.09 -1.71 0.10 0.00 0.00 179.97 177.56 3krz n ASN 313 N -3.04 0.08 0.29 0.08 5.15 0.18 -5.00 115.26 113.00 3krz n ASN 313 Ca 0.00 -2.67 0.16 0.00 -0.60 0.00 0.00 54.58 51.48 3krz n ASN 313 Cb 0.66 -0.61 0.91 0.00 -0.53 0.00 0.00 39.78 40.22 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 4.15 0.00 -0.56 1.20 0.13 -1.77 -2.34 132.00 132.81 3krz h PRO 314 Ca 0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.13 3krz h PRO 314 Cb 0.88 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.96 3krz h PRO 314 CO 0.45 0.04 0.10 0.66 -0.23 0.00 0.00 178.00 179.02 3krz n TYR 315 N -3.54 1.95 -0.30 1.56 4.02 -1.26 -4.47 117.16 115.11 3krz n TYR 315 Ca -0.02 -0.98 0.08 0.00 -0.01 0.00 0.00 57.90 56.97 3krz n TYR 315 Cb 0.15 -0.54 0.19 0.00 -0.02 0.00 0.00 39.34 39.12 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 2.91 -0.16 -0.51 -0.72 7.01 -1.65 -0.84 115.95 121.99 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 2.00 0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 29.24 3krz h TRP 316 CO 1.04 -0.34 0.16 0.28 -2.79 0.00 0.00 178.44 176.79 3krz h VAL 317 N 0.05 1.23 -0.79 2.65 2.07 -1.83 -2.76 116.25 116.86 3krz h VAL 317 Ca 0.48 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 67.30 3krz h VAL 317 Cb 0.88 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 3krz h VAL 317 CO -0.82 0.28 0.52 -0.07 0.02 0.00 0.00 177.57 177.50 3krz h LEU 318 N 0.70 0.74 -1.44 2.57 3.38 -0.98 -0.89 115.31 119.40 3krz h LEU 318 Ca 0.17 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3krz h LEU 318 Cb 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3krz h LEU 318 CO -0.01 0.47 0.00 0.45 0.09 0.00 0.00 178.44 179.45 3krz h HIS 319 N 0.84 0.00 0.00 1.13 3.86 -1.14 -1.73 115.15 118.11 3krz h HIS 319 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 3krz h HIS 319 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3krz h HIS 319 CO -0.00 0.00 -0.45 1.79 0.86 0.00 0.00 177.93 180.13 3krz h THR 320 N 0.00 0.00 -3.97 2.45 1.35 -1.13 -3.47 112.91 108.13 3krz h THR 320 Ca 0.00 -0.63 -0.51 0.00 -0.55 0.00 0.00 66.41 64.72 3krz h THR 320 Cb 0.30 1.35 0.07 0.00 -1.73 0.00 0.00 68.15 68.14 3krz h THR 320 CO 0.00 0.00 0.52 -0.31 -0.25 0.00 0.00 175.52 175.48 3krz s TYR 321 N -3.19 2.91 -2.88 4.73 2.02 -0.65 -4.92 117.35 115.36 3krz s TYR 321 Ca 0.06 1.51 0.23 0.00 -0.37 0.00 0.00 57.07 58.51 3krz s TYR 321 Cb 0.11 -3.46 0.21 0.00 -0.40 0.00 0.00 41.96 38.42 3krz s TYR 321 CO 0.69 -1.61 1.26 0.25 -1.57 0.00 0.00 175.55 174.57 3krz n THR 322 N -0.20 0.05 -3.86 -0.71 -2.24 -1.26 -4.96 114.28 101.09 3krz n THR 322 Ca 0.06 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 3krz n THR 322 Cb 0.46 1.44 -0.11 0.00 -2.10 0.00 0.00 70.33 70.03 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 -1.91 -0.02 0.48 3.42 0.15 -1.26 -5.05 113.70 109.51 3krz s SER 323 Ca 0.28 -0.07 0.15 0.00 0.70 0.00 0.00 55.95 57.02 3krz s SER 323 Cb 0.20 0.23 1.11 0.00 -1.71 0.00 0.00 66.02 65.85 3krz s SER 323 CO 0.29 -0.26 2.05 0.07 1.20 0.00 0.00 173.24 176.59 3krz h LYS 324 N 4.83 0.00 0.00 5.44 2.10 -1.92 -2.71 116.57 124.31 3krz h LYS 324 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3krz h LYS 324 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3krz h LYS 324 CO 0.41 0.12 0.00 -0.85 -2.00 0.00 0.00 179.45 177.12 3krz n GLU 325 N -4.38 0.08 0.23 0.07 0.00 -1.26 -1.88 120.64 113.50 3krz n GLU 325 Ca -0.03 0.28 0.12 0.00 0.00 0.00 0.00 57.16 57.53 3krz n GLU 325 Cb 0.19 -1.65 0.35 0.00 0.00 0.00 0.00 31.44 30.33 3krz n GLU 325 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3krz h ASP 326 N 0.00 0.00 -4.23 -1.84 3.32 -1.91 -3.47 116.42 108.29 3krz h ASP 326 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3krz h ASP 326 Cb 0.34 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.92 3krz h ASP 326 CO 0.00 0.11 0.38 0.26 -1.72 0.00 0.00 179.24 178.27 3krz s TRP 327 N -3.38 3.48 0.35 4.55 0.52 -0.79 -5.01 118.94 118.66 3krz s TRP 327 Ca 0.04 1.43 -0.26 0.00 0.02 0.00 0.00 56.10 57.33 3krz s TRP 327 Cb 0.07 -2.78 -0.12 0.00 -1.15 0.00 0.00 33.47 29.49 3krz s TRP 327 CO 0.64 -0.45 0.99 -2.30 0.02 0.00 0.00 176.95 175.85 3krz n PRO 328 N -1.83 1.35 -0.29 4.98 -0.02 -1.26 -4.81 135.00 133.11 3krz n PRO 328 Ca 0.06 0.48 0.04 0.00 -2.02 0.00 0.00 63.50 62.06 3krz n PRO 328 Cb 0.54 -1.93 0.24 0.00 -0.02 0.00 0.00 33.50 32.33 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 1.76 1.00 0.00 -0.52 1.63 -1.93 -1.38 116.57 117.12 3krz h LYS 329 Ca -0.42 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.32 3krz h LYS 329 Cb 1.34 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 32.74 3krz h LYS 329 CO 0.58 0.66 -0.02 1.96 -3.45 0.00 0.00 179.45 179.19 3krz h GLN 330 N 1.03 0.00 -0.28 1.90 7.50 -2.01 -2.80 115.11 120.45 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 0.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.69 3krz h GLN 330 CO -0.13 0.02 0.00 0.66 -1.50 0.00 0.00 178.83 177.88 3krz n TYR 331 N -3.82 0.37 -0.27 2.96 4.01 -0.54 -4.71 117.16 115.16 3krz n TYR 331 Ca -0.03 -0.37 0.10 0.00 -0.16 0.00 0.00 57.90 57.44 3krz n TYR 331 Cb 0.10 -0.02 0.34 0.00 -0.31 0.00 0.00 39.34 39.46 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 2.26 0.76 0.00 -0.72 4.81 -1.29 0.23 114.58 120.62 3krz h GLU 332 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3krz h GLU 332 Cb 0.69 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3krz h GLU 332 CO 0.00 0.50 0.00 0.00 -0.73 0.00 0.00 179.01 178.78 3krz h ARG 333 N 0.78 0.00 -0.00 1.92 2.47 -1.84 -2.71 114.38 115.00 3krz h ARG 333 Ca 0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 3krz h ARG 333 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 3krz h ARG 333 CO -0.19 0.00 -0.44 0.00 0.56 0.00 0.00 179.97 179.89 3krz n ALA 334 N -1.80 3.46 -1.79 0.04 0.00 0.07 -4.92 120.51 115.58 3krz n ALA 334 Ca -0.01 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 3krz n ALA 334 Cb 0.08 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.77 2.89 0.00 0.00 5.36 -1.02 -5.18 117.98 117.25 3krz s PHE 335 Ca 0.17 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 3krz s PHE 335 Cb 0.18 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 3krz s PHE 335 CO 0.63 -3.79 0.24 1.63 -1.46 0.00 0.00 175.22 172.47