#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 0.97 0.16 2.12 -0.21 -1.26 -4.32 119.66 117.12 2krs s GLN 2 Ca 0.00 -0.36 -0.05 0.00 0.02 0.00 0.00 55.36 54.97 2krs s GLN 2 Cb 0.00 -1.84 -0.06 0.00 1.00 0.00 0.00 33.01 32.12 2krs s GLN 2 CO 0.00 -0.49 0.41 0.20 -2.12 0.00 0.00 175.29 173.29 2krs s GLY 3 N 1.78 2.20 -0.10 3.09 0.00 -1.03 -4.06 107.32 109.20 2krs s GLY 3 Ca 0.01 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 44.23 2krs s GLY 3 CO -0.07 -0.45 -0.23 0.14 0.00 0.00 0.00 173.10 172.49 2krs s VAL 4 N -1.71 2.20 -0.05 1.40 1.01 -1.09 -2.59 120.40 119.57 2krs s VAL 4 Ca 0.42 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 2krs s VAL 4 Cb -0.12 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2krs s VAL 4 CO 0.25 0.56 0.83 -0.69 0.00 0.00 0.00 175.10 176.05 2krs s VAL 5 N 0.23 4.96 -0.33 2.92 1.01 -0.52 -2.03 120.40 126.63 2krs s VAL 5 Ca -0.15 1.73 -0.01 0.00 0.00 0.00 0.00 61.98 63.55 2krs s VAL 5 Cb -0.17 -4.17 0.07 0.00 0.00 0.00 0.00 36.38 32.11 2krs s VAL 5 CO 0.07 0.19 0.05 -0.54 0.00 0.00 0.00 175.10 174.87 2krs s LYS 6 N 1.01 2.19 -0.01 2.72 -0.14 0.30 -1.66 119.74 124.16 2krs s LYS 6 Ca 0.44 -1.48 -0.02 0.00 -1.36 0.00 0.00 55.97 53.54 2krs s LYS 6 Cb -0.19 -3.26 -0.00 0.00 -1.68 0.00 0.00 37.83 32.69 2krs s LYS 6 CO 0.22 -0.77 0.05 0.54 -0.76 0.00 0.00 175.35 174.63 2krs s VAL 7 N 1.17 0.05 0.20 3.17 0.11 -1.26 -4.47 120.40 119.36 2krs s VAL 7 Ca -0.00 -0.37 -0.10 0.00 -2.93 0.00 0.00 61.98 58.58 2krs s VAL 7 Cb -0.20 -0.20 0.12 0.00 -1.53 0.00 0.00 36.38 34.57 2krs s VAL 7 CO -0.03 -0.21 1.76 0.78 -3.33 0.00 0.00 175.10 174.08 2krs h ASN 8 N 5.36 0.97 0.00 3.54 -0.26 -1.99 -3.44 115.58 119.76 2krs h ASN 8 Ca -0.28 -0.16 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 2krs h ASN 8 Cb 1.20 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 2krs h ASN 8 CO 0.44 0.87 0.00 -1.20 -1.06 0.00 0.00 177.43 176.48 2krs n SER 9 N -4.37 0.00 -4.53 5.81 7.64 -1.26 -5.04 113.62 111.86 2krs n SER 9 Ca 0.06 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 2krs n SER 9 Cb 0.17 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.25 2krs n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2krs s ALA 10 N -2.00 2.83 -0.13 -0.43 0.00 -1.26 -4.15 121.76 116.63 2krs s ALA 10 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2krs s ALA 10 Cb 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 2krs s ALA 10 CO 0.00 0.59 -0.18 -1.17 0.00 0.00 0.00 175.76 175.00 2krs s LEU 11 N -1.29 2.41 0.16 0.00 2.96 -0.99 -4.97 118.68 116.96 2krs s LEU 11 Ca 0.15 -0.46 -0.27 0.00 -0.22 0.00 0.00 54.13 53.34 2krs s LEU 11 Cb -0.11 -1.52 -0.08 0.00 0.50 0.00 0.00 46.19 44.98 2krs s LEU 11 CO 0.05 0.14 0.83 0.20 -1.32 0.00 0.00 176.35 176.25 2krs s ASN 12 N 0.48 7.43 0.11 3.68 0.01 -1.26 0.15 114.94 125.53 2krs s ASN 12 Ca -0.12 1.69 0.03 0.00 -0.71 0.00 0.00 52.86 53.75 2krs s ASN 12 Cb -0.16 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 2krs s ASN 12 CO 0.05 0.14 0.15 -0.32 -1.51 0.00 0.00 177.10 175.62 2krs s MET 13 N -0.88 3.08 0.12 -0.60 1.75 -0.15 -4.77 119.30 117.86 2krs s MET 13 Ca 0.38 -0.68 0.06 0.00 -1.25 0.00 0.00 55.69 54.20 2krs s MET 13 Cb -0.23 -2.80 -0.04 0.00 2.84 0.00 0.00 34.83 34.60 2krs s MET 13 CO 0.27 0.55 -0.13 1.03 -0.65 0.00 0.00 175.02 176.09 2krs s ARG 14 N -2.74 1.02 0.00 4.11 0.52 -1.04 -2.30 118.95 118.51 2krs s ARG 14 Ca 0.32 -1.26 0.29 0.00 -0.52 0.00 0.00 55.73 54.55 2krs s ARG 14 Cb -0.12 -0.85 1.23 0.00 0.52 0.00 0.00 34.95 35.73 2krs s ARG 14 CO 0.25 0.16 1.86 -1.13 0.02 0.00 0.00 175.30 176.45 2krs n SER 15 N 0.44 0.44 -3.47 0.23 3.41 -1.26 -0.41 113.62 113.01 2krs n SER 15 Ca -0.15 -0.54 -0.12 0.00 -0.26 0.00 0.00 58.87 57.81 2krs n SER 15 Cb 0.57 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2krs n SER 15 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2krs s GLY 16 N -2.49 -0.55 -0.91 5.00 0.00 -1.26 -4.66 107.32 102.45 2krs s GLY 16 Ca 0.28 0.85 -0.25 0.00 0.00 0.00 0.00 44.72 45.60 2krs s GLY 16 CO 0.48 0.37 2.16 2.56 0.00 0.00 0.00 173.10 178.67 2krs s PRO 17 N -3.06 1.95 0.00 2.90 0.04 -1.26 -4.71 135.00 130.86 2krs s PRO 17 Ca 0.00 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2krs s PRO 17 Cb -0.01 -4.96 0.00 0.00 0.04 0.00 0.00 34.50 29.58 2krs s PRO 17 CO -0.08 -4.20 0.00 0.41 0.04 0.00 0.00 177.00 173.17 2krs n GLY 18 N 6.63 3.86 0.10 0.56 0.00 -1.26 -4.97 105.19 110.11 2krs n GLY 18 Ca 0.44 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 0.41 0.00 1.61 2.88 -1.26 -1.71 113.62 115.55 2krs n SER 19 Ca 0.00 0.64 0.12 0.00 -1.33 0.00 0.00 58.87 58.30 2krs n SER 19 Cb 0.00 -0.71 0.65 0.00 -0.75 0.00 0.00 64.21 63.40 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 -2.00 0.00 -0.21 -3.46 3.02 -1.26 -2.35 115.26 109.01 2krs n ASN 20 Ca 0.01 -0.31 0.13 0.00 -0.03 0.00 0.00 54.58 54.38 2krs n ASN 20 Cb 0.12 -0.19 0.37 0.00 -0.61 0.00 0.00 39.78 39.48 2krs n ASN 20 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2krs n TYR 21 N -1.19 0.00 -0.96 3.10 4.01 -0.69 -5.05 117.16 116.37 2krs n TYR 21 Ca 0.14 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.01 2krs n TYR 21 Cb 0.15 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.01 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 1.36 -1.76 3.60 2.72 0.00 -0.99 -4.52 105.19 105.59 2krs n GLY 22 Ca 0.11 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.93 4.86 -1.87 1.61 0.11 -1.26 -4.28 120.40 117.64 2krs s VAL 23 Ca 0.00 0.00 0.20 0.00 -2.93 0.00 0.00 61.98 59.26 2krs s VAL 23 Cb 0.00 -3.23 -0.00 0.00 -1.53 0.00 0.00 36.38 31.61 2krs s VAL 23 CO 0.00 0.40 1.01 2.30 -3.33 0.00 0.00 175.10 175.48 2krs n ILE 24 N 4.06 0.00 -1.25 7.04 -5.35 -0.97 -5.01 119.36 117.88 2krs n ILE 24 Ca -0.16 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 2krs n ILE 24 Cb 0.52 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 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 1.33 -1.42 3.17 3.28 0.00 -1.25 -5.03 105.19 105.26 2krs n GLY 25 Ca 0.08 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.39 0.78 0.12 2.61 -4.23 -1.26 -0.98 115.64 110.30 2krs s THR 26 Ca 0.00 -1.85 0.10 0.00 -1.18 0.00 0.00 61.69 58.75 2krs s THR 26 Cb 0.00 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.22 2krs s THR 26 CO 0.00 -0.78 -0.24 -0.76 -0.54 0.00 0.00 174.62 172.30 2krs s LEU 27 N -2.88 2.32 0.36 4.79 1.43 0.12 -4.89 118.68 119.93 2krs s LEU 27 Ca 0.10 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 2krs s LEU 27 Cb 0.03 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 2krs s LEU 27 CO -0.03 0.11 0.56 -0.13 0.23 0.00 0.00 176.35 177.09 2krs s ARG 28 N -2.04 3.40 0.61 1.70 3.00 -1.26 -2.33 118.95 122.02 2krs s ARG 28 Ca 0.11 -0.40 -0.18 0.00 0.00 0.00 0.00 55.73 55.25 2krs s ARG 28 Cb -0.10 -2.66 -0.03 0.00 0.00 0.00 0.00 34.95 32.17 2krs s ARG 28 CO 0.05 0.08 1.21 0.54 0.00 0.00 0.00 175.30 177.18 2krs s ASN 29 N -4.07 5.09 -1.68 0.23 2.20 -1.26 -3.01 114.94 112.44 2krs s ASN 29 Ca 0.41 2.39 -0.02 0.00 -0.94 0.00 0.00 52.86 54.70 2krs s ASN 29 Cb -0.10 -2.60 0.00 0.00 -2.00 0.00 0.00 41.25 36.56 2krs s ASN 29 CO 0.36 -1.66 0.25 -3.20 -2.94 0.00 0.00 177.10 169.90 2krs n ASN 30 N -1.71 -5.96 -4.75 3.54 5.15 -0.67 -4.96 115.26 105.90 2krs n ASN 30 Ca 0.14 -0.12 -0.40 0.00 -0.60 0.00 0.00 54.58 53.59 2krs n ASN 30 Cb 0.50 -4.90 -0.05 0.00 -0.53 0.00 0.00 39.78 34.79 2krs n ASN 30 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2krs s ASP 31 N -2.31 7.39 -0.22 1.20 1.01 -1.16 -4.80 116.67 117.77 2krs s ASP 31 Ca 0.12 1.66 -0.06 0.00 0.71 0.00 0.00 52.55 54.98 2krs s ASP 31 Cb -0.06 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2krs s ASP 31 CO 0.15 0.07 0.02 -0.54 0.21 0.00 0.00 175.17 175.09 2krs s LYS 32 N -0.50 3.61 0.13 8.23 1.02 -1.26 -1.45 119.74 129.52 2krs s LYS 32 Ca 0.40 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 55.89 2krs s LYS 32 Cb -0.23 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 2krs s LYS 32 CO 0.27 -0.09 -0.02 0.14 -0.92 0.00 0.00 175.35 174.72 2krs s VAL 33 N 1.30 0.61 -0.06 3.17 -7.23 -1.07 -4.99 120.40 112.13 2krs s VAL 33 Ca 0.04 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 58.02 2krs s VAL 33 Cb -0.15 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 2krs s VAL 33 CO 0.02 -0.67 0.73 -0.70 -0.31 0.00 0.00 175.10 174.17 2krs s GLU 34 N -3.89 4.45 -0.27 4.82 2.12 -1.26 -2.46 118.70 122.21 2krs s GLU 34 Ca 0.18 0.94 -0.11 0.00 0.36 0.00 0.00 54.97 56.34 2krs s GLU 34 Cb 0.06 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 2krs s GLU 34 CO -0.01 0.04 0.18 0.42 -0.54 0.00 0.00 175.26 175.35 2krs s ILE 35 N 0.86 5.29 -0.13 -3.70 1.01 -1.26 -2.59 121.20 120.68 2krs s ILE 35 Ca 0.39 0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.98 2krs s ILE 35 Cb -0.18 -3.51 -0.26 0.00 0.01 0.00 0.00 42.46 38.52 2krs s ILE 35 CO 0.19 0.28 0.61 0.40 0.00 0.00 0.00 174.94 176.42 2krs h ILE 36 N 5.28 1.31 -1.52 2.92 2.04 -1.76 -3.49 117.51 122.29 2krs h ILE 36 Ca -0.36 -2.37 0.27 0.00 1.00 0.00 0.00 64.86 63.40 2krs h ILE 36 Cb 1.18 2.90 -0.16 0.00 -0.74 0.00 0.00 36.82 40.00 2krs h ILE 36 CO 0.58 0.60 0.80 -1.59 0.00 0.00 0.00 178.15 178.53 2krs s LYS 37 N -2.37 0.38 -0.21 2.37 -2.85 -1.26 -5.05 119.74 110.75 2krs s LYS 37 Ca -0.20 -0.17 -0.06 0.00 -1.00 0.00 0.00 55.97 54.54 2krs s LYS 37 Cb 0.02 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 2krs s LYS 37 CO 0.72 -0.17 0.03 -2.00 0.10 0.00 0.00 175.35 174.03 2krs s GLU 38 N -2.47 3.68 -0.08 1.78 2.12 -1.26 -1.83 118.70 120.64 2krs s GLU 38 Ca 0.11 -0.48 0.03 0.00 0.36 0.00 0.00 54.97 54.99 2krs s GLU 38 Cb 0.01 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.25 2krs s GLU 38 CO -0.04 0.01 -0.18 0.08 -0.54 0.00 0.00 175.26 174.58 2krs s VAL 39 N 1.04 1.59 -1.35 3.70 1.01 0.10 -4.71 120.40 121.79 2krs s VAL 39 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2krs s VAL 39 Cb -0.14 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2krs s VAL 39 CO 0.02 0.46 0.00 0.47 0.00 0.00 0.00 175.10 176.05 2krs n ASP 40 N 3.65 -4.29 0.00 3.32 8.00 -1.26 0.58 116.55 126.55 2krs n ASP 40 Ca -0.21 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2krs n ASP 40 Cb 0.52 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 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 -0.69 1.95 3.85 0.44 0.00 -1.26 -5.03 105.19 104.45 2krs n GLY 41 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.48 3.45 -0.16 1.61 0.52 0.20 -4.39 118.94 117.68 2krs s TRP 42 Ca 0.00 1.13 -0.07 0.00 0.02 0.00 0.00 56.10 57.18 2krs s TRP 42 Cb 0.00 -2.45 -0.04 0.00 -1.15 0.00 0.00 33.47 29.83 2krs s TRP 42 CO 0.00 0.21 0.07 0.71 0.02 0.00 0.00 176.95 177.96 2krs s TYR 43 N -1.82 3.28 -0.24 -1.98 2.02 -1.15 0.02 117.35 117.49 2krs s TYR 43 Ca 0.49 0.15 -0.17 0.00 -0.37 0.00 0.00 57.07 57.17 2krs s TYR 43 Cb -0.12 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 2krs s TYR 43 CO 0.19 0.26 0.45 -1.21 -1.57 0.00 0.00 175.55 173.67 2krs s GLU 44 N 0.06 4.10 0.17 -0.62 2.02 -0.76 -1.80 118.70 121.87 2krs s GLU 44 Ca 0.06 0.22 0.07 0.00 0.02 0.00 0.00 54.97 55.34 2krs s GLU 44 Cb -0.12 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 2krs s GLU 44 CO 0.01 -0.22 -0.15 0.96 0.02 0.00 0.00 175.26 175.88 2krs s ILE 45 N 1.90 1.59 -0.22 -1.63 -4.36 -0.99 -1.87 121.20 115.61 2krs s ILE 45 Ca 0.19 -2.03 -0.04 0.00 -0.26 0.00 0.00 60.65 58.52 2krs s ILE 45 Cb -0.15 -1.87 -0.01 0.00 1.25 0.00 0.00 42.46 41.68 2krs s ILE 45 CO 0.09 -0.52 -0.04 -0.60 0.24 0.00 0.00 174.94 174.11 2krs s ARG 46 N -3.28 3.34 -0.02 0.37 3.52 -1.07 -1.97 118.95 119.84 2krs s ARG 46 Ca 0.17 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 2krs s ARG 46 Cb -0.02 -3.01 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 2krs s ARG 46 CO 0.05 -0.21 0.01 0.12 -0.81 0.00 0.00 175.30 174.46 2krs s PHE 47 N 1.47 0.16 -1.54 5.12 5.36 0.22 -4.32 117.98 124.45 2krs s PHE 47 Ca 0.05 0.05 -0.05 0.00 -0.96 0.00 0.00 56.93 56.02 2krs s PHE 47 Cb -0.14 -0.26 0.01 0.00 -0.34 0.00 0.00 43.02 42.28 2krs s PHE 47 CO -0.03 -0.08 0.52 -1.71 -1.46 0.00 0.00 175.22 172.46 2krs n ASN 48 N 3.90 -5.78 0.00 6.13 5.15 -1.26 -0.35 115.26 123.06 2krs n ASN 48 Ca -0.24 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 2krs n ASN 48 Cb 0.52 -4.70 0.00 0.00 -0.53 0.00 0.00 39.78 35.08 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 -1.42 0.45 3.52 8.20 0.00 -1.26 -4.99 105.19 109.69 2krs n GLY 49 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.57 2.18 -0.13 1.61 2.20 0.53 -5.13 119.74 120.44 2krs s LYS 50 Ca 0.00 -0.94 -0.00 0.00 -0.36 0.00 0.00 55.97 54.66 2krs s LYS 50 Cb 0.00 -2.28 -0.02 0.00 -1.51 0.00 0.00 37.83 34.02 2krs s LYS 50 CO 0.00 0.54 -0.11 0.08 -0.36 0.00 0.00 175.35 175.50 2krs s VAL 51 N -1.02 3.21 0.00 4.02 1.01 -1.26 0.71 120.40 127.07 2krs s VAL 51 Ca 0.17 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2krs s VAL 51 Cb -0.11 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2krs s VAL 51 CO 0.08 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2krs n GLY 52 N 3.41 4.43 3.40 4.51 0.00 -0.83 -4.98 105.19 115.13 2krs n GLY 52 Ca -0.18 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.91 2.10 0.04 1.61 1.51 0.45 -2.36 117.35 118.79 2krs s TYR 53 Ca 0.00 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.59 2krs s TYR 53 Cb 0.00 -0.99 -0.01 0.00 -0.11 0.00 0.00 41.96 40.86 2krs s TYR 53 CO 0.00 0.51 0.12 0.00 -1.11 0.00 0.00 175.55 175.07 2krs s ALA 54 N -2.21 -0.15 0.20 3.71 0.00 -0.74 -2.51 121.76 120.06 2krs s ALA 54 Ca 0.23 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 2krs s ALA 54 Cb -0.05 0.25 -0.09 0.00 0.00 0.00 0.00 23.12 23.23 2krs s ALA 54 CO 0.10 -0.33 1.36 0.45 0.00 0.00 0.00 175.76 177.35 2krs s SER 55 N -2.09 6.81 0.11 0.00 0.15 -1.26 -2.91 113.70 114.51 2krs s SER 55 Ca -0.05 2.47 -0.16 0.00 0.70 0.00 0.00 55.95 58.90 2krs s SER 55 Cb -0.01 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 2krs s SER 55 CO -0.04 -0.60 1.58 0.50 1.20 0.00 0.00 173.24 175.88 2krs h LYS 56 N 5.50 0.59 0.00 5.44 3.64 -1.89 -2.63 116.57 127.22 2krs h LYS 56 Ca -0.45 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2krs h LYS 56 Cb 1.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2krs h LYS 56 CO 0.79 0.68 0.14 1.03 -2.27 0.00 0.00 179.45 179.82 2krs h SER 57 N 0.42 0.00 -0.40 4.20 0.87 -1.92 0.34 113.55 117.06 2krs h SER 57 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2krs h SER 57 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2krs h SER 57 CO 0.01 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 175.09 2krs n TYR 58 N -2.86 0.52 -4.38 2.24 4.02 -1.00 -4.92 117.16 110.77 2krs n TYR 58 Ca -0.02 -0.32 -0.21 0.00 -0.01 0.00 0.00 57.90 57.34 2krs n TYR 58 Cb 0.19 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.35 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 -1.24 0.81 -0.08 -0.72 1.01 0.12 0.11 121.20 121.21 2krs s ILE 59 Ca 0.34 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2krs s ILE 59 Cb 0.20 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2krs s ILE 59 CO 0.27 0.27 -0.20 -0.89 0.00 0.00 0.00 174.94 174.39 2krs s THR 60 N 0.55 1.70 -0.02 2.92 2.01 -0.86 -4.85 115.64 117.09 2krs s THR 60 Ca -0.09 -0.81 -0.28 0.00 0.31 0.00 0.00 61.69 60.81 2krs s THR 60 Cb -0.13 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 2krs s THR 60 CO 0.01 0.48 0.89 -0.63 -0.69 0.00 0.00 174.62 174.68 2krs s ILE 61 N 0.41 4.91 0.19 1.82 -1.09 -1.26 -2.68 121.20 123.50 2krs s ILE 61 Ca -0.16 1.86 -0.30 0.00 -2.23 0.00 0.00 60.65 59.82 2krs s ILE 61 Cb -0.17 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 36.40 2krs s ILE 61 CO 0.07 0.20 1.27 -0.69 -1.23 0.00 0.00 174.94 174.56 2krs s VAL 62 N 0.88 3.34 0.06 2.92 1.01 -1.26 -4.93 120.40 122.43 2krs s VAL 62 Ca 0.47 1.11 -0.31 0.00 0.00 0.00 0.00 61.98 63.25 2krs s VAL 62 Cb -0.20 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 2krs s VAL 62 CO 0.25 0.17 1.91 0.59 0.00 0.00 0.00 175.10 178.02 2krs n ASN 63 N 2.64 4.04 -4.66 3.32 3.02 -1.26 -4.93 115.26 117.44 2krs n ASN 63 Ca 0.06 0.94 -0.42 0.00 -0.03 0.00 0.00 54.58 55.13 2krs n ASN 63 Cb 0.43 -1.52 -0.04 0.00 -0.61 0.00 0.00 39.78 38.05 2krs n ASN 63 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2krs s GLU 64 N 3.73 4.25 1.14 3.52 2.02 -1.26 -4.77 118.70 127.33 2krs s GLU 64 Ca 0.87 1.08 0.00 0.00 0.02 0.00 0.00 54.97 56.93 2krs s GLU 64 Cb -0.48 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.14 2krs s GLU 64 CO 0.41 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2krs n GLY 65 N 3.53 -1.77 1.50 -1.39 0.00 -1.26 -4.82 105.19 100.98 2krs n GLY 65 Ca 0.07 -1.30 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 2krs n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2krs n SER 66 N -0.70 -0.83 0.00 1.61 7.64 -1.26 -4.79 113.62 115.29 2krs n SER 66 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2krs n SER 66 Cb 0.04 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 2krs n SER 66 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2krs n LEU 67 N -1.50 1.42 0.00 -3.43 7.94 -1.26 -4.98 117.00 115.19 2krs n LEU 67 Ca -0.02 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 2krs n LEU 67 Cb 0.18 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.13 2krs n LEU 67 CO 0.03 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.69 2krs n GLU 68 N -0.35 0.00 -3.08 1.96 4.71 -1.26 -4.51 120.64 118.10 2krs n GLU 68 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.76 2krs n GLU 68 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 2krs n GLU 68 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2krs s HIS 69 N 0.00 3.60 0.00 -0.32 3.76 -1.26 -4.84 115.29 116.24 2krs s HIS 69 Ca 0.00 1.24 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 2krs s HIS 69 Cb 0.00 -2.76 0.00 0.00 1.11 0.00 0.00 32.58 30.93 2krs s HIS 69 CO 0.00 0.15 0.00 0.72 -0.85 0.00 0.00 174.74 174.76 2krs n HIS 70 N 3.51 0.00 -3.41 1.40 8.25 -1.26 -4.79 115.22 118.92 2krs n HIS 70 Ca -0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 2krs n HIS 70 Cb 0.51 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.65 2krs n HIS 70 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2krs n HIS 71 N 0.00 -2.18 -3.48 4.41 -0.00 -1.26 -4.98 115.22 107.73 2krs n HIS 71 Ca 0.00 0.91 -0.22 0.00 -0.00 0.00 0.00 57.72 58.42 2krs n HIS 71 Cb 0.00 -1.72 -0.13 0.00 -0.00 0.00 0.00 29.99 28.14 2krs n HIS 71 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2krs s HIS 72 N -1.41 -0.14 0.00 1.57 2.46 -1.26 -5.04 115.29 111.47 2krs s HIS 72 Ca 0.30 -0.30 0.00 0.00 0.47 0.00 0.00 55.06 55.53 2krs s HIS 72 Cb -0.03 -0.58 0.00 0.00 -0.13 0.00 0.00 32.58 31.83 2krs s HIS 72 CO 0.69 -0.79 0.00 0.72 -2.47 0.00 0.00 174.74 172.89 2krs n HIS 73 N 5.29 0.00 0.00 3.88 8.25 -1.26 -5.31 115.22 126.07 2krs n HIS 73 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2krs n HIS 73 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 2krs n HIS 73 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70