#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 0.75 0.28 2.12 0.74 -1.26 -3.67 119.66 118.62 2krs s GLN 2 Ca 0.00 0.03 -0.04 0.00 0.05 0.00 0.00 55.36 55.40 2krs s GLN 2 Cb 0.00 -1.01 -0.05 0.00 1.10 0.00 0.00 33.01 33.05 2krs s GLN 2 CO 0.00 -0.26 0.53 0.20 -0.55 0.00 0.00 175.29 175.21 2krs s GLY 3 N 1.73 1.79 -0.06 2.59 0.00 -0.09 -4.25 107.32 109.04 2krs s GLY 3 Ca 0.02 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.13 2krs s GLY 3 CO -0.05 -0.54 -0.14 0.14 0.00 0.00 0.00 173.10 172.51 2krs s VAL 4 N -2.08 1.21 -0.12 1.40 1.01 -1.04 -2.19 120.40 118.59 2krs s VAL 4 Ca 0.43 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 2krs s VAL 4 Cb -0.11 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2krs s VAL 4 CO 0.31 0.37 0.62 -0.69 0.00 0.00 0.00 175.10 175.70 2krs s VAL 5 N 0.42 5.07 -0.28 2.92 1.01 -0.87 -2.58 120.40 126.11 2krs s VAL 5 Ca -0.11 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2krs s VAL 5 Cb -0.14 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.37 2krs s VAL 5 CO 0.03 0.22 -0.01 -0.54 0.00 0.00 0.00 175.10 174.80 2krs s LYS 6 N 1.14 1.51 -0.06 2.72 1.02 -1.21 -1.28 119.74 123.58 2krs s LYS 6 Ca 0.32 -1.27 -0.26 0.00 0.02 0.00 0.00 55.97 54.77 2krs s LYS 6 Cb -0.16 -2.69 0.06 0.00 -0.52 0.00 0.00 37.83 34.52 2krs s LYS 6 CO 0.13 -0.75 0.58 0.54 -0.92 0.00 0.00 175.35 174.94 2krs s VAL 7 N 1.27 0.01 -0.01 3.17 0.11 -1.26 -4.79 120.40 118.90 2krs s VAL 7 Ca 0.01 -0.11 -0.25 0.00 -2.93 0.00 0.00 61.98 58.69 2krs s VAL 7 Cb -0.19 -0.89 -0.19 0.00 -1.53 0.00 0.00 36.38 33.58 2krs s VAL 7 CO -0.10 -0.06 1.29 0.78 -3.33 0.00 0.00 175.10 173.68 2krs h ASN 8 N 3.46 -0.06 -2.34 3.54 -0.26 -2.01 -3.41 115.58 114.51 2krs h ASN 8 Ca -0.28 -0.39 -0.45 0.00 -0.56 0.00 0.00 56.30 54.62 2krs h ASN 8 Cb 1.15 0.01 0.02 0.00 -1.06 0.00 0.00 38.32 38.45 2krs h ASN 8 CO 0.36 0.37 -0.18 -0.94 -1.06 0.00 0.00 177.43 175.98 2krs s SER 9 N -5.55 5.81 0.45 5.81 1.04 -1.26 -4.89 113.70 115.11 2krs s SER 9 Ca -0.15 0.06 -0.24 0.00 0.48 0.00 0.00 55.95 56.09 2krs s SER 9 Cb 0.02 -1.32 -0.08 0.00 0.10 0.00 0.00 66.02 64.74 2krs s SER 9 CO 0.65 -0.66 1.27 0.00 0.98 0.00 0.00 173.24 175.48 2krs s ALA 10 N -2.44 3.10 -0.12 5.32 0.00 -1.26 -4.74 121.76 121.61 2krs s ALA 10 Ca 0.48 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.60 2krs s ALA 10 Cb -0.10 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2krs s ALA 10 CO 0.35 -0.88 -0.08 -1.17 0.00 0.00 0.00 175.76 173.98 2krs s LEU 11 N -2.80 3.04 0.38 0.00 2.96 -0.33 -4.94 118.68 116.99 2krs s LEU 11 Ca 0.61 -0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 54.11 2krs s LEU 11 Cb -0.36 -1.70 -0.10 0.00 0.50 0.00 0.00 46.19 44.54 2krs s LEU 11 CO 0.45 0.22 0.99 0.20 -1.32 0.00 0.00 176.35 176.89 2krs s ASN 12 N 0.03 7.01 0.07 3.68 0.02 -1.26 0.70 114.94 125.19 2krs s ASN 12 Ca -0.02 1.89 -0.03 0.00 -1.02 0.00 0.00 52.86 53.68 2krs s ASN 12 Cb -0.14 -2.57 -0.05 0.00 0.02 0.00 0.00 41.25 38.51 2krs s ASN 12 CO 0.03 -0.31 0.27 -0.32 0.02 0.00 0.00 177.10 176.80 2krs s MET 13 N -2.48 3.52 0.21 -0.60 -2.45 -0.83 -4.85 119.30 111.83 2krs s MET 13 Ca 0.56 -0.25 0.10 0.00 -1.25 0.00 0.00 55.69 54.85 2krs s MET 13 Cb -0.18 -2.99 -0.05 0.00 1.25 0.00 0.00 34.83 32.86 2krs s MET 13 CO 0.23 0.58 -0.18 1.03 1.05 0.00 0.00 175.02 177.72 2krs s ARG 14 N -2.37 1.44 0.11 4.11 0.52 -1.06 -2.55 118.95 119.15 2krs s ARG 14 Ca 0.35 -1.58 0.26 0.00 -0.52 0.00 0.00 55.73 54.24 2krs s ARG 14 Cb -0.13 -1.47 0.71 0.00 0.52 0.00 0.00 34.95 34.58 2krs s ARG 14 CO 0.24 0.28 1.61 -1.13 0.02 0.00 0.00 175.30 176.32 2krs n SER 15 N -0.16 0.56 -1.50 0.23 3.41 -1.26 0.44 113.62 115.34 2krs n SER 15 Ca -0.09 0.30 -0.02 0.00 -0.26 0.00 0.00 58.87 58.79 2krs n SER 15 Cb 0.59 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.39 1.56 3.49 5.00 0.00 -1.26 -4.74 105.19 110.63 2krs n GLY 16 Ca 0.05 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.15 3.16 0.00 1.61 -0.04 -1.26 -4.73 135.00 133.59 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 0.15 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.14 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 5.26 2.61 0.06 0.55 0.00 -1.26 -4.98 105.19 107.44 2krs n GLY 18 Ca 0.49 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.66 2krs n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2krs n SER 19 N 0.00 0.34 0.00 1.61 3.41 -1.26 -2.04 113.62 115.68 2krs n SER 19 Ca 0.00 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.33 2krs n SER 19 Cb 0.00 -0.65 0.75 0.00 -0.26 0.00 0.00 64.21 64.05 2krs n SER 19 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2krs n ASN 20 N -1.87 0.00 -0.24 4.04 6.94 -1.26 -2.85 115.26 120.02 2krs n ASN 20 Ca 0.03 -0.28 0.15 0.00 -0.02 0.00 0.00 54.58 54.46 2krs n ASN 20 Cb 0.22 -0.23 0.65 0.00 -2.36 0.00 0.00 39.78 38.06 2krs n ASN 20 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2krs n TYR 21 N -1.23 0.00 -0.62 -2.53 4.01 -0.86 -5.04 117.16 110.89 2krs n TYR 21 Ca 0.15 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.98 2krs n TYR 21 Cb 0.20 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 2krs n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2krs n GLY 22 N 1.17 -1.64 3.60 2.72 0.00 -1.13 -4.62 105.19 105.28 2krs n GLY 22 Ca 0.19 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.67 4.20 -0.56 1.61 0.11 -1.26 -4.33 120.40 118.49 2krs s VAL 23 Ca 0.00 -0.27 0.15 0.00 -2.93 0.00 0.00 61.98 58.93 2krs s VAL 23 Cb 0.00 -2.81 -0.18 0.00 -1.53 0.00 0.00 36.38 31.86 2krs s VAL 23 CO 0.00 0.54 0.57 -0.38 -3.33 0.00 0.00 175.10 172.50 2krs n ILE 24 N 2.90 0.00 -3.70 7.04 -0.00 -1.06 -5.03 119.36 119.52 2krs n ILE 24 Ca -0.18 -0.19 0.00 0.00 -0.00 0.00 0.00 62.75 62.38 2krs n ILE 24 Cb 0.53 0.83 0.00 0.00 -0.00 0.00 0.00 39.64 41.00 2krs n ILE 24 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2krs n GLY 25 N 1.41 0.87 3.17 7.39 0.00 -1.26 -5.03 105.19 111.73 2krs n GLY 25 Ca 0.02 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.30 1.02 0.07 2.61 -4.23 -1.26 -1.96 115.64 109.58 2krs s THR 26 Ca 0.02 -1.43 0.09 0.00 -1.18 0.00 0.00 61.69 59.18 2krs s THR 26 Cb -0.00 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 2krs s THR 26 CO 0.00 -0.37 -0.23 -0.76 -0.54 0.00 0.00 174.62 172.72 2krs s LEU 27 N -2.03 2.21 0.33 4.79 1.43 0.22 -4.85 118.68 120.78 2krs s LEU 27 Ca 0.01 -0.60 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 2krs s LEU 27 Cb -0.07 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 2krs s LEU 27 CO 0.01 0.18 0.26 -0.13 0.23 0.00 0.00 176.35 176.90 2krs s ARG 28 N -1.44 2.70 0.58 1.70 0.52 -1.26 -1.19 118.95 120.56 2krs s ARG 28 Ca 0.09 -1.30 -0.20 0.00 -0.52 0.00 0.00 55.73 53.81 2krs s ARG 28 Cb -0.09 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 2krs s ARG 28 CO 0.03 0.13 1.25 -0.80 0.02 0.00 0.00 175.30 175.92 2krs s ASN 29 N -3.96 5.22 -1.62 0.23 0.01 -1.26 -2.82 114.94 110.73 2krs s ASN 29 Ca 0.40 2.49 -0.03 0.00 -0.71 0.00 0.00 52.86 55.01 2krs s ASN 29 Cb -0.06 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.00 2krs s ASN 29 CO 0.26 -1.58 0.31 0.59 -1.51 0.00 0.00 177.10 175.17 2krs n ASN 30 N -1.41 -5.83 -4.75 -1.22 3.02 -0.40 -4.96 115.26 99.71 2krs n ASN 30 Ca 0.13 -0.15 -0.40 0.00 -0.03 0.00 0.00 54.58 54.12 2krs n ASN 30 Cb 0.48 -4.78 -0.05 0.00 -0.61 0.00 0.00 39.78 34.82 2krs n ASN 30 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2krs s ASP 31 N -2.39 7.45 -0.23 6.41 1.11 -1.13 -4.87 116.67 123.02 2krs s ASP 31 Ca 0.16 1.73 -0.08 0.00 0.18 0.00 0.00 52.55 54.54 2krs s ASP 31 Cb -0.07 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 2krs s ASP 31 CO 0.20 0.08 0.08 -0.54 1.18 0.00 0.00 175.17 176.17 2krs s LYS 32 N -0.61 3.76 0.09 8.23 1.02 -1.26 -2.04 119.74 128.93 2krs s LYS 32 Ca 0.41 -0.43 -0.00 0.00 0.02 0.00 0.00 55.97 55.97 2krs s LYS 32 Cb -0.23 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 2krs s LYS 32 CO 0.28 -0.06 -0.01 0.14 -0.92 0.00 0.00 175.35 174.77 2krs s VAL 33 N 1.29 0.33 -0.17 3.17 -7.23 -0.93 -5.04 120.40 111.82 2krs s VAL 33 Ca 0.05 -1.87 -0.10 0.00 -1.81 0.00 0.00 61.98 58.25 2krs s VAL 33 Cb -0.15 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 2krs s VAL 33 CO 0.04 -0.81 0.17 -0.70 -0.31 0.00 0.00 175.10 173.50 2krs s GLU 34 N -3.93 4.02 -0.44 4.82 2.12 -1.26 -0.91 118.70 123.12 2krs s GLU 34 Ca 0.13 -0.12 -0.15 0.00 0.36 0.00 0.00 54.97 55.20 2krs s GLU 34 Cb 0.07 -3.36 0.05 0.00 0.26 0.00 0.00 34.13 31.15 2krs s GLU 34 CO -0.05 0.42 0.34 0.42 -0.54 0.00 0.00 175.26 175.84 2krs s ILE 35 N 0.00 5.14 0.11 -3.70 1.01 -1.24 -2.01 121.20 120.51 2krs s ILE 35 Ca 0.12 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 2krs s ILE 35 Cb -0.12 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2krs s ILE 35 CO 0.01 -0.44 1.55 0.40 0.00 0.00 0.00 174.94 176.46 2krs h ILE 36 N 5.73 1.26 -1.70 2.92 2.04 -1.91 -3.47 117.51 122.39 2krs h ILE 36 Ca -0.27 -1.03 0.29 0.00 1.00 0.00 0.00 64.86 64.84 2krs h ILE 36 Cb 1.11 1.21 -0.11 0.00 -0.74 0.00 0.00 36.82 38.29 2krs h ILE 36 CO 0.80 0.34 0.73 -1.59 0.00 0.00 0.00 178.15 178.43 2krs s LYS 37 N -4.94 0.62 -0.17 2.37 -2.85 -1.26 -5.06 119.74 108.45 2krs s LYS 37 Ca -0.13 -0.34 -0.02 0.00 -1.00 0.00 0.00 55.97 54.47 2krs s LYS 37 Cb 0.09 0.21 -0.02 0.00 -2.06 0.00 0.00 37.83 36.06 2krs s LYS 37 CO 0.79 -0.28 -0.07 -2.00 0.10 0.00 0.00 175.35 173.88 2krs s GLU 38 N -2.67 3.46 -0.06 1.78 2.12 -1.26 -1.53 118.70 120.55 2krs s GLU 38 Ca 0.14 -0.62 0.03 0.00 0.36 0.00 0.00 54.97 54.88 2krs s GLU 38 Cb 0.03 -2.85 0.01 0.00 0.26 0.00 0.00 34.13 31.58 2krs s GLU 38 CO -0.02 0.07 -0.15 0.08 -0.54 0.00 0.00 175.26 174.70 2krs s VAL 39 N 0.77 1.34 -1.16 3.70 1.01 0.80 -4.76 120.40 122.11 2krs s VAL 39 Ca -0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2krs s VAL 39 Cb -0.15 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2krs s VAL 39 CO 0.02 0.40 0.04 0.47 0.00 0.00 0.00 175.10 176.02 2krs n ASP 40 N 3.54 -4.16 0.00 3.32 8.00 -1.26 0.02 116.55 126.01 2krs n ASP 40 Ca -0.21 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2krs n ASP 40 Cb 0.52 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 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 -0.86 2.91 3.82 0.44 0.00 -1.26 -5.02 105.19 105.21 2krs n GLY 41 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.04 3.61 -0.22 1.61 0.52 0.10 -4.60 118.94 117.92 2krs s TRP 42 Ca 0.00 1.35 -0.10 0.00 0.02 0.00 0.00 56.10 57.37 2krs s TRP 42 Cb 0.00 -2.60 -0.05 0.00 -1.15 0.00 0.00 33.47 29.68 2krs s TRP 42 CO 0.00 0.31 0.13 0.71 0.02 0.00 0.00 176.95 178.12 2krs s TYR 43 N -1.58 3.33 0.49 -1.98 2.02 -1.19 -0.14 117.35 118.30 2krs s TYR 43 Ca 0.44 0.21 -0.18 0.00 -0.37 0.00 0.00 57.07 57.17 2krs s TYR 43 Cb -0.16 -2.21 -0.08 0.00 -0.40 0.00 0.00 41.96 39.11 2krs s TYR 43 CO 0.20 0.13 0.99 -2.00 -1.57 0.00 0.00 175.55 173.30 2krs s GLU 44 N 0.78 3.94 0.03 -0.62 2.12 -0.58 -2.28 118.70 122.08 2krs s GLU 44 Ca 0.07 1.10 -0.06 0.00 0.36 0.00 0.00 54.97 56.44 2krs s GLU 44 Cb -0.13 -2.13 -0.01 0.00 0.26 0.00 0.00 34.13 32.13 2krs s GLU 44 CO 0.02 -0.29 0.11 0.96 -0.54 0.00 0.00 175.26 175.52 2krs s ILE 45 N -2.37 0.12 -0.15 -3.70 -4.36 -0.70 -3.92 121.20 106.12 2krs s ILE 45 Ca 0.62 -0.97 0.02 0.00 -0.26 0.00 0.00 60.65 60.06 2krs s ILE 45 Cb -0.11 -0.75 0.01 0.00 1.25 0.00 0.00 42.46 42.86 2krs s ILE 45 CO 0.24 -0.53 -0.20 -0.60 0.24 0.00 0.00 174.94 174.09 2krs s ARG 46 N -2.24 2.83 -0.06 0.37 3.52 -0.85 -1.82 118.95 120.71 2krs s ARG 46 Ca -0.08 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 54.72 2krs s ARG 46 Cb -0.03 -2.36 0.04 0.00 -1.56 0.00 0.00 34.95 31.03 2krs s ARG 46 CO -0.03 -0.09 0.11 0.12 -0.81 0.00 0.00 175.30 174.60 2krs s PHE 47 N 1.02 -0.09 -1.43 5.12 5.36 0.36 -4.01 117.98 124.31 2krs s PHE 47 Ca -0.03 0.40 -0.08 0.00 -0.96 0.00 0.00 56.93 56.26 2krs s PHE 47 Cb -0.15 -0.23 0.04 0.00 -0.34 0.00 0.00 43.02 42.35 2krs s PHE 47 CO -0.06 -0.18 0.62 -1.71 -1.46 0.00 0.00 175.22 172.43 2krs n ASN 48 N 4.67 -5.00 -0.29 6.13 2.85 -1.26 0.06 115.26 122.42 2krs n ASN 48 Ca -0.17 -0.39 -0.04 0.00 -0.11 0.00 0.00 54.58 53.87 2krs n ASN 48 Cb 0.50 -4.06 -0.02 0.00 1.24 0.00 0.00 39.78 37.45 2krs n ASN 48 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2krs n GLY 49 N -1.41 0.65 3.58 8.20 0.00 -1.26 -5.01 105.19 109.93 2krs n GLY 49 Ca -0.05 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.70 2.26 -0.13 1.61 2.20 0.11 -5.12 119.74 118.97 2krs s LYS 50 Ca 0.00 -0.93 -0.02 0.00 -0.36 0.00 0.00 55.97 54.66 2krs s LYS 50 Cb 0.00 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.93 2krs s LYS 50 CO 0.00 0.54 -0.06 0.08 -0.36 0.00 0.00 175.35 175.55 2krs s VAL 51 N -1.14 3.71 0.00 4.02 1.01 -1.26 -0.49 120.40 126.26 2krs s VAL 51 Ca 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2krs s VAL 51 Cb -0.11 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2krs s VAL 51 CO 0.12 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2krs n GLY 52 N 3.15 3.70 3.19 4.51 0.00 -0.76 -4.76 105.19 114.21 2krs n GLY 52 Ca -0.18 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 2krs n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2krs s TYR 53 N -3.45 0.13 0.04 1.61 1.51 0.17 -1.72 117.35 115.64 2krs s TYR 53 Ca 0.00 -0.48 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 2krs s TYR 53 Cb 0.00 -0.06 -0.02 0.00 -0.11 0.00 0.00 41.96 41.76 2krs s TYR 53 CO 0.00 -0.49 0.02 0.00 -1.11 0.00 0.00 175.55 173.98 2krs s ALA 54 N -3.32 0.18 0.50 3.71 0.00 -0.97 -2.56 121.76 119.30 2krs s ALA 54 Ca 0.01 -0.80 -0.21 0.00 0.00 0.00 0.00 51.96 50.95 2krs s ALA 54 Cb 0.02 0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.32 2krs s ALA 54 CO -0.08 -0.31 1.16 -1.12 0.00 0.00 0.00 175.76 175.41 2krs s SER 55 N -2.28 5.95 0.29 0.00 0.01 -1.26 -3.17 113.70 113.24 2krs s SER 55 Ca -0.03 2.27 0.03 0.00 1.31 0.00 0.00 55.95 59.53 2krs s SER 55 Cb 0.00 -2.60 0.46 0.00 0.21 0.00 0.00 66.02 64.09 2krs s SER 55 CO -0.06 -1.06 1.76 0.07 0.41 0.00 0.00 173.24 174.36 2krs h LYS 56 N 1.68 0.51 -0.81 12.44 2.10 -1.86 -2.11 116.57 128.52 2krs h LYS 56 Ca -0.50 -0.17 -0.02 0.00 -2.00 0.00 0.00 60.65 57.97 2krs h LYS 56 Cb 1.26 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 32.50 2krs h LYS 56 CO 0.59 0.67 0.45 0.77 -2.00 0.00 0.00 179.45 179.92 2krs h SER 57 N 0.46 1.01 -0.41 7.07 0.02 -1.96 -2.18 113.55 117.55 2krs h SER 57 Ca 0.08 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2krs h SER 57 Cb 0.57 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2krs h SER 57 CO 0.04 0.82 0.00 -1.22 -1.14 0.00 0.00 176.83 175.32 2krs n TYR 58 N -4.41 0.54 -4.93 3.45 4.02 -1.14 -4.84 117.16 109.86 2krs n TYR 58 Ca 0.08 -0.27 -0.30 0.00 -0.01 0.00 0.00 57.90 57.40 2krs n TYR 58 Cb 0.09 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.24 2krs n TYR 58 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2krs s ILE 59 N -1.46 1.80 -0.11 -0.72 -1.09 -0.81 -3.35 121.20 115.48 2krs s ILE 59 Ca 0.35 -0.86 0.03 0.00 -2.23 0.00 0.00 60.65 57.94 2krs s ILE 59 Cb 0.19 -1.59 0.01 0.00 -1.58 0.00 0.00 42.46 39.49 2krs s ILE 59 CO 0.26 0.50 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.39 2krs s THR 60 N 0.55 1.79 -0.14 2.92 2.01 -1.06 -4.77 115.64 116.93 2krs s THR 60 Ca -0.15 -0.83 -0.19 0.00 0.31 0.00 0.00 61.69 60.83 2krs s THR 60 Cb -0.17 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 2krs s THR 60 CO 0.05 0.50 0.52 -0.63 -0.69 0.00 0.00 174.62 174.37 2krs s ILE 61 N 0.74 5.14 0.39 1.82 1.01 -1.26 -2.51 121.20 126.53 2krs s ILE 61 Ca -0.11 1.01 -0.22 0.00 0.00 0.00 0.00 60.65 61.33 2krs s ILE 61 Cb -0.16 -3.85 -0.11 0.00 0.01 0.00 0.00 42.46 38.36 2krs s ILE 61 CO 0.01 0.26 0.93 0.68 0.00 0.00 0.00 174.94 176.83 2krs s VAL 62 N 1.01 4.35 -1.51 2.92 -7.23 -1.26 -3.72 120.40 114.97 2krs s VAL 62 Ca 0.26 1.56 -0.05 0.00 -1.81 0.00 0.00 61.98 61.94 2krs s VAL 62 Cb -0.15 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.07 2krs s VAL 62 CO 0.11 -0.17 0.69 0.59 -0.31 0.00 0.00 175.10 176.00 2krs n ASN 63 N -0.26 -6.12 0.12 4.85 5.03 -1.26 -4.88 115.26 112.74 2krs n ASN 63 Ca 0.05 -0.32 0.12 0.00 0.87 0.00 0.00 54.58 55.30 2krs n ASN 63 Cb 0.53 -4.91 0.16 0.00 -1.02 0.00 0.00 39.78 34.54 2krs n ASN 63 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 2krs h GLU 64 N -1.57 0.00 0.00 3.52 4.57 -2.01 -3.43 114.58 115.65 2krs h GLU 64 Ca -0.53 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 2krs h GLU 64 Cb 1.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 2krs h GLU 64 CO 0.56 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.80 2krs n GLY 65 N 1.22 0.00 3.06 1.92 0.00 -1.26 -5.04 105.19 105.10 2krs n GLY 65 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 2krs n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2krs n SER 66 N 0.00 -7.07 -4.79 1.61 2.88 -1.26 -4.92 113.62 100.07 2krs n SER 66 Ca 0.00 0.49 -0.35 0.00 -1.33 0.00 0.00 58.87 57.68 2krs n SER 66 Cb 0.00 -3.76 -0.03 0.00 -0.75 0.00 0.00 64.21 59.67 2krs n SER 66 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2krs s LEU 67 N -2.15 3.93 0.37 2.46 1.43 -1.26 -4.96 118.68 118.51 2krs s LEU 67 Ca 0.21 2.05 -0.26 0.00 -1.03 0.00 0.00 54.13 55.10 2krs s LEU 67 Cb -0.04 -4.42 -0.12 0.00 0.03 0.00 0.00 46.19 41.65 2krs s LEU 67 CO 0.69 -0.79 1.03 1.21 0.23 0.00 0.00 176.35 178.72 2krs n GLU 68 N -0.71 1.42 -2.59 1.70 4.07 -1.26 -4.92 120.64 118.36 2krs n GLU 68 Ca 0.08 0.50 -0.41 0.00 -0.06 0.00 0.00 57.16 57.28 2krs n GLU 68 Cb 0.51 -2.01 -0.04 0.00 -0.06 0.00 0.00 31.44 29.84 2krs n GLU 68 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2krs s HIS 69 N -1.20 3.68 0.03 4.31 3.76 -1.26 -4.87 115.29 119.74 2krs s HIS 69 Ca 0.61 1.68 0.00 0.00 -0.15 0.00 0.00 55.06 57.20 2krs s HIS 69 Cb -0.60 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 29.90 2krs s HIS 69 CO 0.58 -0.31 0.00 0.72 -0.85 0.00 0.00 174.74 174.88 2krs n HIS 70 N 2.35 -1.68 -3.85 1.40 8.25 -1.26 -4.88 115.22 115.54 2krs n HIS 70 Ca 0.02 0.17 -0.12 0.00 -0.26 0.00 0.00 57.72 57.53 2krs n HIS 70 Cb 0.47 -0.26 -0.13 0.00 1.12 0.00 0.00 29.99 31.18 2krs n HIS 70 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2krs s HIS 71 N -0.48 -0.05 -0.00 4.41 0.09 -1.26 -5.16 115.29 112.83 2krs s HIS 71 Ca 0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 55.06 55.17 2krs s HIS 71 Cb 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 32.58 32.59 2krs s HIS 71 CO 0.00 -0.05 0.04 -1.01 -0.00 0.00 0.00 174.74 173.72 2krs s HIS 72 N -0.07 0.07 -0.07 1.40 3.76 -1.26 -5.16 115.29 113.95 2krs s HIS 72 Ca -0.01 -0.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.77 2krs s HIS 72 Cb -0.01 -0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.59 2krs s HIS 72 CO 0.00 -0.13 -0.07 -1.01 -0.85 0.00 0.00 174.74 172.68 2krs s HIS 73 N -0.74 2.94 -2.00 1.40 3.76 -1.26 -5.27 115.29 114.11 2krs s HIS 73 Ca -0.08 -0.00 0.02 0.00 -0.15 0.00 0.00 55.06 54.85 2krs s HIS 73 Cb -0.05 -1.72 0.13 0.00 1.11 0.00 0.00 32.58 32.04 2krs s HIS 73 CO -0.00 0.31 0.61 0.72 -0.85 0.00 0.00 174.74 175.53