#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krs s GLN 2 N 0.00 0.43 0.02 2.12 1.11 -1.26 -4.22 119.66 117.87 2krs s GLN 2 Ca 0.00 0.17 -0.02 0.00 0.01 0.00 0.00 55.36 55.52 2krs s GLN 2 Cb 0.00 -0.84 -0.04 0.00 -1.01 0.00 0.00 33.01 31.12 2krs s GLN 2 CO 0.00 -0.30 0.21 0.20 0.01 0.00 0.00 175.29 175.41 2krs s GLY 3 N 1.97 2.19 -0.08 3.09 0.00 -0.83 -4.11 107.32 109.54 2krs s GLY 3 Ca 0.04 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 44.03 2krs s GLY 3 CO -0.04 -0.68 -0.18 0.14 0.00 0.00 0.00 173.10 172.33 2krs s VAL 4 N -1.40 1.56 -0.12 1.40 1.01 -1.07 -2.19 120.40 119.58 2krs s VAL 4 Ca 0.31 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 2krs s VAL 4 Cb -0.13 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2krs s VAL 4 CO 0.22 0.45 0.68 -0.69 0.00 0.00 0.00 175.10 175.75 2krs s VAL 5 N 0.44 5.03 -0.28 2.92 1.01 -1.07 -1.96 120.40 126.48 2krs s VAL 5 Ca -0.15 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.20 2krs s VAL 5 Cb -0.16 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.29 2krs s VAL 5 CO 0.06 0.19 -0.02 -0.54 0.00 0.00 0.00 175.10 174.79 2krs s LYS 6 N 1.30 1.63 -0.22 2.72 1.02 -1.18 -0.87 119.74 124.14 2krs s LYS 6 Ca 0.34 -1.38 -0.20 0.00 0.02 0.00 0.00 55.97 54.75 2krs s LYS 6 Cb -0.17 -2.80 0.06 0.00 -0.52 0.00 0.00 37.83 34.40 2krs s LYS 6 CO 0.14 -0.75 0.59 0.54 -0.92 0.00 0.00 175.35 174.96 2krs s VAL 7 N 1.18 -0.00 0.02 3.17 0.11 -1.26 -4.84 120.40 118.78 2krs s VAL 7 Ca 0.01 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.82 2krs s VAL 7 Cb -0.19 -0.83 -0.17 0.00 -1.53 0.00 0.00 36.38 33.66 2krs s VAL 7 CO -0.09 0.00 1.38 -1.13 -3.33 0.00 0.00 175.10 171.94 2krs h ASN 8 N 5.37 0.11 -3.16 3.54 -1.24 -2.00 -3.37 115.58 114.84 2krs h ASN 8 Ca -0.29 -0.39 -0.54 0.00 0.71 0.00 0.00 56.30 55.79 2krs h ASN 8 Cb 1.17 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 40.17 2krs h ASN 8 CO 0.14 0.47 -0.23 -0.44 -1.29 0.00 0.00 177.43 176.08 2krs s SER 9 N -5.71 6.48 0.44 1.15 0.01 -1.26 -4.86 113.70 109.95 2krs s SER 9 Ca -0.15 0.64 -0.25 0.00 1.31 0.00 0.00 55.95 57.50 2krs s SER 9 Cb 0.03 -2.11 -0.08 0.00 0.21 0.00 0.00 66.02 64.07 2krs s SER 9 CO 0.69 -0.07 1.41 0.00 0.41 0.00 0.00 173.24 175.68 2krs s ALA 10 N -1.87 3.25 -0.13 1.44 0.00 -1.26 -4.85 121.76 118.34 2krs s ALA 10 Ca 0.42 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.83 2krs s ALA 10 Cb -0.11 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 2krs s ALA 10 CO 0.27 -1.13 -0.19 -1.17 0.00 0.00 0.00 175.76 173.54 2krs s LEU 11 N -2.66 2.35 0.42 0.00 2.96 -0.98 -4.95 118.68 115.83 2krs s LEU 11 Ca 0.60 -0.48 -0.24 0.00 -0.22 0.00 0.00 54.13 53.79 2krs s LEU 11 Cb -0.43 -1.50 -0.08 0.00 0.50 0.00 0.00 46.19 44.67 2krs s LEU 11 CO 0.55 0.13 1.12 0.54 -1.32 0.00 0.00 176.35 177.38 2krs s ASN 12 N 0.52 6.51 -0.06 3.68 4.22 -1.26 -0.18 114.94 128.37 2krs s ASN 12 Ca -0.12 2.22 -0.11 0.00 -2.14 0.00 0.00 52.86 52.71 2krs s ASN 12 Cb -0.16 -2.60 -0.05 0.00 1.28 0.00 0.00 41.25 39.72 2krs s ASN 12 CO 0.05 -0.68 0.27 -0.32 -2.04 0.00 0.00 177.10 174.38 2krs s MET 13 N -2.49 3.67 0.24 3.55 1.75 -0.44 -4.85 119.30 120.74 2krs s MET 13 Ca 0.59 0.14 -0.04 0.00 -1.25 0.00 0.00 55.69 55.13 2krs s MET 13 Cb -0.27 -3.20 -0.05 0.00 2.84 0.00 0.00 34.83 34.15 2krs s MET 13 CO 0.33 0.74 0.49 1.03 -0.65 0.00 0.00 175.02 176.96 2krs s ARG 14 N -1.06 3.61 0.00 4.11 3.00 0.07 -2.60 118.95 126.08 2krs s ARG 14 Ca 0.19 -0.08 0.26 0.00 0.00 0.00 0.00 55.73 56.10 2krs s ARG 14 Cb -0.14 -2.72 0.65 0.00 0.00 0.00 0.00 34.95 32.73 2krs s ARG 14 CO 0.09 0.30 1.51 -1.13 0.00 0.00 0.00 175.30 176.07 2krs n SER 15 N -0.70 0.45 -1.60 0.23 3.41 -1.26 0.58 113.62 114.73 2krs n SER 15 Ca -0.02 -0.17 -0.02 0.00 -0.26 0.00 0.00 58.87 58.39 2krs n SER 15 Cb 0.54 0.12 0.01 0.00 -0.26 0.00 0.00 64.21 64.61 2krs n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2krs n GLY 16 N 1.49 1.48 3.43 5.00 0.00 -1.26 -4.68 105.19 110.65 2krs n GLY 16 Ca 0.06 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 2krs n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2krs n PRO 17 N -0.18 3.16 0.00 1.61 -0.04 -1.26 -4.62 135.00 133.66 2krs n PRO 17 Ca -0.02 -3.21 0.00 0.00 -0.04 0.00 0.00 63.50 60.23 2krs n PRO 17 Cb 0.18 -3.43 0.00 0.00 -0.04 0.00 0.00 33.50 30.21 2krs n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2krs n GLY 18 N 5.09 2.67 0.10 0.55 0.00 -1.26 -4.99 105.19 107.34 2krs n GLY 18 Ca 0.49 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.64 2krs n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2krs n SER 19 N 0.00 0.48 -0.63 1.61 2.88 -1.26 -1.85 113.62 114.85 2krs n SER 19 Ca 0.00 0.63 0.05 0.00 -1.33 0.00 0.00 58.87 58.22 2krs n SER 19 Cb 0.00 -0.73 0.14 0.00 -0.75 0.00 0.00 64.21 62.87 2krs n SER 19 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2krs n ASN 20 N -2.05 1.80 -0.54 -3.46 5.03 -1.26 -3.64 115.26 111.14 2krs n ASN 20 Ca 0.02 -2.05 0.13 0.00 0.87 0.00 0.00 54.58 53.54 2krs n ASN 20 Cb 0.18 -0.26 0.45 0.00 -1.02 0.00 0.00 39.78 39.14 2krs n ASN 20 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2krs n TYR 21 N 0.36 0.07 -2.81 3.10 4.02 -0.77 -5.05 117.16 116.08 2krs n TYR 21 Ca 0.10 -0.03 0.01 0.00 -0.01 0.00 0.00 57.90 57.97 2krs n TYR 21 Cb 0.31 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.63 2krs n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2krs n GLY 22 N 1.18 -2.01 3.23 2.72 0.00 -1.24 -4.47 105.19 104.59 2krs n GLY 22 Ca 0.18 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 2krs n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krs s VAL 23 N -0.42 2.25 -1.11 1.61 0.11 -1.26 -4.31 120.40 117.26 2krs s VAL 23 Ca 0.00 -0.93 0.11 0.00 -2.93 0.00 0.00 61.98 58.23 2krs s VAL 23 Cb 0.00 -1.89 0.02 0.00 -1.53 0.00 0.00 36.38 32.97 2krs s VAL 23 CO 0.00 0.55 0.72 2.30 -3.33 0.00 0.00 175.10 175.33 2krs n ILE 24 N 3.78 0.00 -3.92 7.04 -5.35 -1.07 -5.02 119.36 114.82 2krs n ILE 24 Ca -0.19 -0.41 0.01 0.00 -0.27 0.00 0.00 62.75 61.89 2krs n ILE 24 Cb 0.52 1.16 0.01 0.00 -1.74 0.00 0.00 39.64 39.59 2krs n ILE 24 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2krs n GLY 25 N 0.87 0.43 3.20 3.28 0.00 -1.26 -5.02 105.19 106.71 2krs n GLY 25 Ca 0.05 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 2krs n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2krs s THR 26 N -2.09 1.10 0.10 2.61 -4.23 -1.26 -1.32 115.64 110.54 2krs s THR 26 Ca 0.19 -1.69 0.08 0.00 -1.18 0.00 0.00 61.69 59.09 2krs s THR 26 Cb -0.01 -1.45 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 2krs s THR 26 CO 0.00 -0.51 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.60 2krs s LEU 27 N -2.48 2.29 0.30 4.79 1.43 0.75 -4.82 118.68 120.93 2krs s LEU 27 Ca 0.07 -0.67 0.11 0.00 -1.03 0.00 0.00 54.13 52.62 2krs s LEU 27 Cb -0.03 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 2krs s LEU 27 CO 0.01 0.06 -0.16 -0.13 0.23 0.00 0.00 176.35 176.36 2krs s ARG 28 N -1.84 1.72 0.48 1.70 0.52 -1.26 -2.31 118.95 117.96 2krs s ARG 28 Ca 0.06 -1.82 -0.24 0.00 -0.52 0.00 0.00 55.73 53.21 2krs s ARG 28 Cb -0.10 -1.73 -0.08 0.00 0.52 0.00 0.00 34.95 33.57 2krs s ARG 28 CO 0.04 0.26 1.30 -1.71 0.02 0.00 0.00 175.30 175.21 2krs n ASN 29 N -0.67 2.57 -2.93 0.23 5.15 -1.26 -2.15 115.26 116.20 2krs n ASN 29 Ca -0.05 1.05 -0.22 0.00 -0.60 0.00 0.00 54.58 54.76 2krs n ASN 29 Cb 0.61 -1.53 0.03 0.00 -0.53 0.00 0.00 39.78 38.36 2krs n ASN 29 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2krs n ASN 30 N -0.28 -5.96 -4.60 1.20 3.02 -0.05 -4.94 115.26 103.65 2krs n ASN 30 Ca 0.08 -0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.97 2krs n ASN 30 Cb 0.42 -4.84 -0.04 0.00 -0.61 0.00 0.00 39.78 34.70 2krs n ASN 30 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2krs s ASP 31 N -2.59 6.65 -0.03 6.41 -1.08 -0.91 -4.87 116.67 120.25 2krs s ASP 31 Ca 0.25 0.55 -0.30 0.00 -0.52 0.00 0.00 52.55 52.54 2krs s ASP 31 Cb -0.11 -2.44 -0.03 0.00 -1.46 0.00 0.00 42.92 38.88 2krs s ASP 31 CO 0.31 -0.78 0.97 -0.54 0.52 0.00 0.00 175.17 175.65 2krs s LYS 32 N 3.29 4.52 0.08 4.34 1.02 -1.26 -2.60 119.74 129.13 2krs s LYS 32 Ca 0.36 1.38 -0.03 0.00 0.02 0.00 0.00 55.97 57.70 2krs s LYS 32 Cb -0.13 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 2krs s LYS 32 CO 0.17 -0.11 0.04 0.14 -0.92 0.00 0.00 175.35 174.67 2krs s VAL 33 N 1.24 0.18 -0.16 3.17 -7.23 -0.93 -5.01 120.40 111.66 2krs s VAL 33 Ca 0.50 -1.70 -0.07 0.00 -1.81 0.00 0.00 61.98 58.90 2krs s VAL 33 Cb -0.20 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2krs s VAL 33 CO 0.25 -0.80 0.08 -1.61 -0.31 0.00 0.00 175.10 172.71 2krs s GLU 34 N -3.94 3.77 -0.40 4.82 0.41 -1.25 -1.97 118.70 120.14 2krs s GLU 34 Ca 0.10 -0.29 -0.13 0.00 -0.41 0.00 0.00 54.97 54.25 2krs s GLU 34 Cb 0.07 -3.19 0.03 0.00 -1.78 0.00 0.00 34.13 29.26 2krs s GLU 34 CO -0.07 0.44 0.25 0.42 -0.49 0.00 0.00 175.26 175.81 2krs s ILE 35 N -0.09 4.83 0.12 -1.63 1.01 -1.26 -1.77 121.20 122.41 2krs s ILE 35 Ca 0.08 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.74 2krs s ILE 35 Cb -0.12 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2krs s ILE 35 CO 0.01 -0.30 1.56 0.40 0.00 0.00 0.00 174.94 176.60 2krs h ILE 36 N 5.80 1.26 -2.33 2.92 2.04 -1.95 -3.47 117.51 121.78 2krs h ILE 36 Ca -0.26 -1.03 0.25 0.00 1.00 0.00 0.00 64.86 64.82 2krs h ILE 36 Cb 1.11 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 2krs h ILE 36 CO 0.71 0.35 0.75 -1.59 0.00 0.00 0.00 178.15 178.36 2krs s LYS 37 N -4.96 0.85 -0.18 2.37 -2.85 -1.26 -5.08 119.74 108.64 2krs s LYS 37 Ca -0.13 -0.55 -0.02 0.00 -1.00 0.00 0.00 55.97 54.27 2krs s LYS 37 Cb 0.10 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 36.09 2krs s LYS 37 CO 0.79 -0.40 -0.08 -2.00 0.10 0.00 0.00 175.35 173.76 2krs s GLU 38 N -2.08 3.39 -0.06 1.78 -6.30 -1.26 -2.07 118.70 112.09 2krs s GLU 38 Ca 0.26 -0.65 0.04 0.00 -2.50 0.00 0.00 54.97 52.12 2krs s GLU 38 Cb -0.02 -2.84 0.00 0.00 0.00 0.00 0.00 34.13 31.28 2krs s GLU 38 CO 0.02 -0.00 -0.17 0.08 0.02 0.00 0.00 175.26 175.21 2krs s VAL 39 N 0.94 1.46 -1.46 3.70 1.01 1.00 -4.73 120.40 122.33 2krs s VAL 39 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2krs s VAL 39 Cb -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.96 2krs s VAL 39 CO -0.00 0.42 0.00 0.47 0.00 0.00 0.00 175.10 175.99 2krs n ASP 40 N 3.38 -4.86 0.00 3.32 8.00 -1.26 0.33 116.55 125.46 2krs n ASP 40 Ca -0.20 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2krs n ASP 40 Cb 0.53 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 2krs n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2krs n GLY 41 N -0.84 2.54 3.88 0.44 0.00 -1.26 -5.00 105.19 104.95 2krs n GLY 41 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2krs n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2krs s TRP 42 N -3.06 3.50 -0.16 1.61 0.52 0.15 -4.69 118.94 116.82 2krs s TRP 42 Ca 0.00 0.70 -0.13 0.00 0.02 0.00 0.00 56.10 56.69 2krs s TRP 42 Cb 0.00 -2.11 -0.05 0.00 -1.15 0.00 0.00 33.47 30.16 2krs s TRP 42 CO 0.00 0.43 0.26 0.71 0.02 0.00 0.00 176.95 178.37 2krs s TYR 43 N -1.61 3.48 0.43 -1.98 2.02 -1.22 -0.00 117.35 118.47 2krs s TYR 43 Ca 0.40 0.57 -0.15 0.00 -0.37 0.00 0.00 57.07 57.52 2krs s TYR 43 Cb -0.13 -2.28 -0.08 0.00 -0.40 0.00 0.00 41.96 39.08 2krs s TYR 43 CO 0.22 0.31 0.86 -2.00 -1.57 0.00 0.00 175.55 173.36 2krs s GLU 44 N 0.25 3.95 0.01 -0.62 2.12 -0.88 -2.59 118.70 120.93 2krs s GLU 44 Ca 0.15 0.76 -0.08 0.00 0.36 0.00 0.00 54.97 56.17 2krs s GLU 44 Cb -0.13 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 31.98 2krs s GLU 44 CO 0.03 -0.07 0.16 0.96 -0.54 0.00 0.00 175.26 175.80 2krs s ILE 45 N -2.35 0.09 -0.16 -3.70 -4.36 0.11 -4.02 121.20 106.80 2krs s ILE 45 Ca 0.56 -0.71 -0.00 0.00 -0.26 0.00 0.00 60.65 60.24 2krs s ILE 45 Cb -0.10 -0.51 -0.01 0.00 1.25 0.00 0.00 42.46 43.10 2krs s ILE 45 CO 0.26 -0.39 -0.13 -0.60 0.24 0.00 0.00 174.94 174.32 2krs s ARG 46 N -1.53 3.29 -0.03 0.37 3.52 -0.73 -1.30 118.95 122.54 2krs s ARG 46 Ca -0.14 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 2krs s ARG 46 Cb -0.07 -2.68 0.03 0.00 -1.56 0.00 0.00 34.95 30.67 2krs s ARG 46 CO 0.01 0.05 0.01 0.12 -0.81 0.00 0.00 175.30 174.68 2krs s PHE 47 N 0.75 0.28 -1.42 5.12 5.36 -0.56 -3.91 117.98 123.60 2krs s PHE 47 Ca -0.06 0.02 -0.09 0.00 -0.96 0.00 0.00 56.93 55.85 2krs s PHE 47 Cb -0.15 -0.40 0.06 0.00 -0.34 0.00 0.00 43.02 42.18 2krs s PHE 47 CO 0.01 -0.13 0.64 -1.71 -1.46 0.00 0.00 175.22 172.57 2krs n ASN 48 N 4.23 -4.62 -0.46 6.13 5.15 -1.26 -0.04 115.26 124.38 2krs n ASN 48 Ca -0.25 -0.45 -0.06 0.00 -0.60 0.00 0.00 54.58 53.22 2krs n ASN 48 Cb 0.50 -3.76 -0.03 0.00 -0.53 0.00 0.00 39.78 35.97 2krs n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2krs n GLY 49 N -1.39 0.81 3.20 8.20 0.00 -1.26 -4.99 105.19 109.75 2krs n GLY 49 Ca -0.03 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2krs n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2krs s LYS 50 N -2.11 3.08 0.16 1.61 2.36 0.94 -5.11 119.74 120.65 2krs s LYS 50 Ca 0.00 -0.83 -0.30 0.00 -2.55 0.00 0.00 55.97 52.29 2krs s LYS 50 Cb 0.00 -2.47 -0.07 0.00 -1.05 0.00 0.00 37.83 34.24 2krs s LYS 50 CO 0.00 0.02 0.94 0.08 1.55 0.00 0.00 175.35 177.94 2krs s VAL 51 N 0.75 4.35 0.24 4.02 1.01 -1.26 -1.50 120.40 128.02 2krs s VAL 51 Ca -0.08 2.06 -0.19 0.00 0.00 0.00 0.00 61.98 63.77 2krs s VAL 51 Cb -0.16 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 31.93 2krs s VAL 51 CO -0.00 0.39 0.62 -0.83 0.00 0.00 0.00 175.10 175.28 2krs s GLY 52 N -0.45 -0.04 0.21 4.51 0.00 -0.42 -4.89 107.32 106.24 2krs s GLY 52 Ca 0.44 -0.30 0.10 0.00 0.00 0.00 0.00 44.72 44.97 2krs s GLY 52 CO 0.30 -0.19 -0.20 -0.19 0.00 0.00 0.00 173.10 172.82 2krs s TYR 53 N -3.91 2.11 0.01 1.90 1.51 0.20 0.05 117.35 119.21 2krs s TYR 53 Ca 0.11 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.64 2krs s TYR 53 Cb -0.03 -1.00 0.02 0.00 -0.11 0.00 0.00 41.96 40.84 2krs s TYR 53 CO 0.03 0.51 0.28 0.00 -1.11 0.00 0.00 175.55 175.25 2krs s ALA 54 N -2.17 -0.66 0.39 3.71 0.00 -1.07 -0.75 121.76 121.22 2krs s ALA 54 Ca 0.22 0.13 -0.27 0.00 0.00 0.00 0.00 51.96 52.04 2krs s ALA 54 Cb -0.06 0.16 -0.10 0.00 0.00 0.00 0.00 23.12 23.13 2krs s ALA 54 CO 0.10 -0.30 1.39 0.45 0.00 0.00 0.00 175.76 177.40 2krs s SER 55 N -1.60 6.33 0.30 0.00 0.15 -1.26 -3.41 113.70 114.20 2krs s SER 55 Ca -0.11 2.85 0.24 0.00 0.70 0.00 0.00 55.95 59.63 2krs s SER 55 Cb -0.04 -2.65 1.08 0.00 -1.71 0.00 0.00 66.02 62.70 2krs s SER 55 CO 0.01 -0.86 1.73 0.07 1.20 0.00 0.00 173.24 175.39 2krs h LYS 56 N 2.86 0.00 -0.21 5.44 2.10 -1.91 -2.74 116.57 122.11 2krs h LYS 56 Ca -0.50 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.08 2krs h LYS 56 Cb 1.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 2krs h LYS 56 CO 0.63 0.00 -0.17 0.66 -2.00 0.00 0.00 179.45 178.57 2krs h SER 57 N 0.00 0.34 -0.65 7.07 4.64 -1.97 -2.77 113.55 120.22 2krs h SER 57 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2krs h SER 57 Cb 0.27 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2krs h SER 57 CO 0.00 0.54 0.00 -1.22 -0.87 0.00 0.00 176.83 175.28 2krs n TYR 58 N -4.20 0.98 -4.89 4.77 4.01 -1.03 -4.92 117.16 111.88 2krs n TYR 58 Ca -0.00 -0.53 -0.33 0.00 -0.16 0.00 0.00 57.90 56.88 2krs n TYR 58 Cb 0.33 -0.05 -0.15 0.00 -0.31 0.00 0.00 39.34 39.15 2krs n TYR 58 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2krs s ILE 59 N -1.18 2.80 -0.16 -0.72 -1.09 -1.05 -3.08 121.20 116.74 2krs s ILE 59 Ca 0.45 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 2krs s ILE 59 Cb 0.25 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.97 2krs s ILE 59 CO 0.29 0.53 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.48 2krs s THR 60 N 0.33 2.60 0.09 2.92 2.01 -0.83 -4.92 115.64 117.84 2krs s THR 60 Ca -0.13 -0.79 -0.28 0.00 0.31 0.00 0.00 61.69 60.80 2krs s THR 60 Cb -0.16 -2.09 -0.06 0.00 0.01 0.00 0.00 72.50 70.20 2krs s THR 60 CO 0.06 0.52 0.89 -0.63 -0.69 0.00 0.00 174.62 174.77 2krs s ILE 61 N 0.86 4.58 0.26 1.82 -1.09 -1.26 -2.61 121.20 123.77 2krs s ILE 61 Ca -0.04 1.91 -0.30 0.00 -2.23 0.00 0.00 60.65 59.98 2krs s ILE 61 Cb -0.15 -4.25 -0.11 0.00 -1.58 0.00 0.00 42.46 36.38 2krs s ILE 61 CO -0.01 0.34 1.54 -0.69 -1.23 0.00 0.00 174.94 174.89 2krs s VAL 62 N -0.03 2.32 -0.99 2.92 1.01 -1.26 -4.71 120.40 119.66 2krs s VAL 62 Ca 0.44 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 2krs s VAL 62 Cb -0.22 -3.17 -0.33 0.00 0.00 0.00 0.00 36.38 32.66 2krs s VAL 62 CO 0.27 0.04 2.16 0.59 0.00 0.00 0.00 175.10 178.17 2krs n ASN 63 N 2.49 -1.34 -4.51 3.32 5.03 -1.26 -4.83 115.26 114.16 2krs n ASN 63 Ca 0.09 -0.59 -0.39 0.00 0.87 0.00 0.00 54.58 54.56 2krs n ASN 63 Cb 0.38 -0.58 -0.11 0.00 -1.02 0.00 0.00 39.78 38.46 2krs n ASN 63 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2krs s GLU 64 N 7.09 3.54 -0.45 3.52 2.12 -1.26 -4.72 118.70 128.53 2krs s GLU 64 Ca 1.30 -0.60 -0.37 0.00 0.36 0.00 0.00 54.97 55.66 2krs s GLU 64 Cb -0.82 -3.70 0.06 0.00 0.26 0.00 0.00 34.13 29.92 2krs s GLU 64 CO 0.55 -0.38 0.66 0.41 -0.54 0.00 0.00 175.26 175.96 2krs n GLY 65 N 5.06 0.03 3.74 -1.50 0.00 -1.26 -4.86 105.19 106.39 2krs n GLY 65 Ca -0.13 1.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.71 2krs n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2krs s SER 66 N -1.59 4.80 -0.85 1.61 1.04 -1.26 -4.93 113.70 112.52 2krs s SER 66 Ca 0.37 2.33 -0.20 0.00 0.48 0.00 0.00 55.95 58.93 2krs s SER 66 Cb -0.04 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.60 2krs s SER 66 CO 0.87 -1.85 1.09 -0.22 0.98 0.00 0.00 173.24 174.11 2krs s LEU 67 N -4.58 4.80 0.00 2.42 2.96 -1.26 -4.91 118.68 118.10 2krs s LEU 67 Ca 0.75 -1.72 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 2krs s LEU 67 Cb -0.29 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 43.99 2krs s LEU 67 CO 0.39 -1.19 0.00 1.21 -1.32 0.00 0.00 176.35 175.44 2krs n GLU 68 N 6.98 0.00 -3.89 1.98 2.13 -1.26 -4.50 120.64 122.08 2krs n GLU 68 Ca 0.16 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.90 2krs n GLU 68 Cb 0.48 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.15 2krs n GLU 68 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2krs s HIS 69 N 0.00 0.07 0.06 4.31 3.76 -1.26 -5.12 115.29 117.11 2krs s HIS 69 Ca 0.00 -0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 54.15 2krs s HIS 69 Cb 0.00 0.41 -0.09 0.00 1.11 0.00 0.00 32.58 34.01 2krs s HIS 69 CO 0.00 -1.06 1.88 -3.38 -0.85 0.00 0.00 174.74 171.33 2krs s HIS 70 N -3.95 1.69 0.14 1.40 -3.43 -1.26 -4.88 115.29 104.99 2krs s HIS 70 Ca 0.16 -0.22 -0.14 0.00 -0.80 0.00 0.00 55.06 54.06 2krs s HIS 70 Cb -0.02 -4.18 0.00 0.00 -1.43 0.00 0.00 32.58 26.95 2krs s HIS 70 CO 0.06 -5.10 1.60 1.25 -2.00 0.00 0.00 174.74 170.54 2krs h HIS 71 N 9.71 0.84 -3.36 0.38 2.76 -2.00 -3.41 115.15 120.07 2krs h HIS 71 Ca -0.47 -0.14 -0.59 0.00 -2.20 0.00 0.00 60.37 56.97 2krs h HIS 71 Cb 1.22 -0.22 -0.09 0.00 1.55 0.00 0.00 27.41 29.87 2krs h HIS 71 CO 0.89 0.82 0.31 -3.38 -1.30 0.00 0.00 177.93 175.26 2krs s HIS 72 N -5.06 3.34 0.17 5.26 -3.43 -1.26 -4.95 115.29 109.36 2krs s HIS 72 Ca -0.13 1.05 -0.14 0.00 -0.80 0.00 0.00 55.06 55.04 2krs s HIS 72 Cb 0.11 -2.94 0.06 0.00 -1.43 0.00 0.00 32.58 28.37 2krs s HIS 72 CO 0.80 -0.30 1.78 1.25 -2.00 0.00 0.00 174.74 176.27 2krs h HIS 73 N 7.61 0.72 0.00 0.38 2.76 -2.02 -3.54 115.15 121.05 2krs h HIS 73 Ca -0.27 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 2krs h HIS 73 Cb 1.12 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2krs h HIS 73 CO 0.74 0.52 0.00 1.58 -1.30 0.00 0.00 177.93 179.47