#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 0.92 -0.01 0.03 -0.21 -1.26 -4.41 119.66 114.72 2krs s GLN 2 Ca 0.00 -0.02 -0.15 0.00 0.02 0.00 0.00 55.36 55.21 2krs s GLN 2 Cb 0.00 -1.16 -0.06 0.00 1.00 0.00 0.00 33.01 32.80 2krs s GLN 2 CO 0.00 -0.27 0.40 0.20 -2.12 0.00 0.00 175.29 173.50 2krs s GLY 3 N 1.81 2.47 -0.08 3.09 0.00 -0.94 -1.56 107.32 112.12 2krs s GLY 3 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.57 2krs s GLY 3 CO -0.06 0.17 -0.21 0.14 0.00 0.00 0.00 173.10 173.14 2krs s VAL 4 N -0.97 1.81 -0.12 1.40 1.01 -1.03 -2.17 120.40 120.33 2krs s VAL 4 Ca 0.23 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 2krs s VAL 4 Cb -0.16 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2krs s VAL 4 CO 0.13 0.51 0.56 -0.69 0.00 0.00 0.00 175.10 175.61 2krs s VAL 5 N 0.24 5.12 -0.27 2.92 1.01 -1.19 -2.55 120.40 125.67 2krs s VAL 5 Ca -0.12 1.12 0.01 0.00 0.00 0.00 0.00 61.98 62.99 2krs s VAL 5 Cb -0.16 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.40 2krs s VAL 5 CO 0.06 0.26 -0.01 -0.54 0.00 0.00 0.00 175.10 174.87 2krs s LYS 6 N 0.94 1.47 0.04 2.72 1.02 -0.36 0.15 119.74 125.72 2krs s LYS 6 Ca 0.29 -1.24 -0.00 0.00 0.02 0.00 0.00 55.97 55.05 2krs s LYS 6 Cb -0.16 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 2krs s LYS 6 CO 0.12 -0.74 -0.04 0.54 -0.92 0.00 0.00 175.35 174.31 2krs s VAL 7 N 1.30 0.26 0.22 3.17 0.11 -1.26 -4.69 120.40 119.51 2krs s VAL 7 Ca 0.01 -1.42 -0.09 0.00 -2.93 0.00 0.00 61.98 57.55 2krs s VAL 7 Cb -0.19 -0.98 0.18 0.00 -1.53 0.00 0.00 36.38 33.86 2krs s VAL 7 CO -0.10 -0.74 1.85 -1.13 -3.33 0.00 0.00 175.10 171.65 2krs h ASN 8 N 3.82 1.00 0.00 3.54 -0.73 -2.01 -3.44 115.58 117.76 2krs h ASN 8 Ca -0.34 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 57.75 2krs h ASN 8 Cb 1.17 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.51 2krs h ASN 8 CO 0.54 0.79 0.00 -0.24 -0.37 0.00 0.00 177.43 178.15 2krs n SER 9 N -4.43 -0.14 -3.74 1.15 2.88 -1.26 -5.03 113.62 103.04 2krs n SER 9 Ca 0.08 0.37 -0.13 0.00 -1.33 0.00 0.00 58.87 57.86 2krs n SER 9 Cb 0.07 0.31 -0.10 0.00 -0.75 0.00 0.00 64.21 63.75 2krs n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2krs s ALA 10 N -2.00 -0.91 -0.06 -1.46 0.00 -1.26 -4.08 121.76 111.99 2krs s ALA 10 Ca 0.00 0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.81 2krs s ALA 10 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2krs s ALA 10 CO 0.00 -0.22 -0.24 -1.17 0.00 0.00 0.00 175.76 174.13 2krs s LEU 11 N -0.44 2.05 0.22 0.00 2.96 -0.81 -4.96 118.68 117.70 2krs s LEU 11 Ca -0.06 -0.50 -0.28 0.00 -0.22 0.00 0.00 54.13 53.07 2krs s LEU 11 Cb -0.04 -1.34 -0.09 0.00 0.50 0.00 0.00 46.19 45.23 2krs s LEU 11 CO 0.02 0.22 0.88 0.54 -1.32 0.00 0.00 176.35 176.70 2krs s ASN 12 N -0.08 7.55 0.13 3.68 4.22 -1.26 -0.13 114.94 129.05 2krs s ASN 12 Ca -0.06 1.84 0.02 0.00 -2.14 0.00 0.00 52.86 52.53 2krs s ASN 12 Cb -0.14 -2.57 -0.04 0.00 1.28 0.00 0.00 41.25 39.78 2krs s ASN 12 CO 0.04 0.17 0.24 -0.32 -2.04 0.00 0.00 177.10 175.19 2krs s MET 13 N -1.19 3.33 0.18 3.55 1.75 -0.78 -4.91 119.30 121.22 2krs s MET 13 Ca 0.39 -0.61 0.08 0.00 -1.25 0.00 0.00 55.69 54.30 2krs s MET 13 Cb -0.25 -2.92 -0.04 0.00 2.84 0.00 0.00 34.83 34.46 2krs s MET 13 CO 0.30 0.53 -0.17 1.03 -0.65 0.00 0.00 175.02 176.07 2krs s ARG 14 N -3.04 1.28 0.00 4.11 0.52 -1.06 -2.28 118.95 118.47 2krs s ARG 14 Ca 0.34 -1.46 0.30 0.00 -0.52 0.00 0.00 55.73 54.39 2krs s ARG 14 Cb -0.11 -1.23 1.45 0.00 0.52 0.00 0.00 34.95 35.58 2krs s ARG 14 CO 0.27 0.23 2.02 -1.13 0.02 0.00 0.00 175.30 176.71 2krs n SER 15 N 0.07 0.05 -1.18 0.23 3.41 -1.26 0.24 113.62 115.18 2krs n SER 15 Ca -0.11 -0.10 -0.01 0.00 -0.26 0.00 0.00 58.87 58.39 2krs n SER 15 Cb 0.58 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 1.32 1.94 0.44 5.00 0.00 -1.26 -4.61 105.19 108.02 2krs n GLY 16 Ca 0.13 -1.05 0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.05 1.57 -3.70 1.61 -0.04 -1.26 -4.49 135.00 128.63 2krs n PRO 17 Ca -0.01 -0.87 -0.35 0.00 -0.04 0.00 0.00 63.50 62.23 2krs n PRO 17 Cb 0.06 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.15 2krs n PRO 17 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2krs s GLY 18 N -1.30 2.03 0.02 0.55 0.00 -1.26 -4.95 107.32 102.41 2krs s GLY 18 Ca 0.25 -0.73 0.11 0.00 0.00 0.00 0.00 44.72 44.35 2krs s GLY 18 CO 0.19 0.23 1.36 -1.14 0.00 0.00 0.00 173.10 173.73 2krs n SER 19 N 3.72 0.05 -0.75 1.64 3.41 -1.26 -1.61 113.62 118.82 2krs n SER 19 Ca -0.15 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.05 2krs n SER 19 Cb 0.52 -0.52 0.24 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.55 2.20 -0.15 4.04 0.23 -1.26 -3.86 115.26 114.91 2krs n ASN 20 Ca 0.02 -1.92 0.13 0.00 -0.53 0.00 0.00 54.58 52.29 2krs n ASN 20 Cb 0.13 -0.23 0.48 0.00 -2.08 0.00 0.00 39.78 38.08 2krs n ASN 20 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2krs n TYR 21 N 0.69 0.00 -0.55 -2.53 4.01 -0.63 -5.05 117.16 113.10 2krs n TYR 21 Ca 0.15 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.97 2krs n TYR 21 Cb 0.37 -0.18 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 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 1.33 -1.71 3.69 2.72 0.00 -1.25 -4.66 105.19 105.31 2krs n GLY 22 Ca 0.12 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.76 5.31 -1.12 1.61 0.11 -1.26 -4.44 120.40 118.85 2krs s VAL 23 Ca 0.00 0.41 0.14 0.00 -2.93 0.00 0.00 61.98 59.61 2krs s VAL 23 Cb 0.00 -3.59 -0.05 0.00 -1.53 0.00 0.00 36.38 31.21 2krs s VAL 23 CO 0.00 0.34 0.74 2.30 -3.33 0.00 0.00 175.10 175.15 2krs n ILE 24 N 4.03 0.00 -3.82 7.04 -5.35 -0.97 -5.01 119.36 115.28 2krs n ILE 24 Ca -0.13 -0.29 0.02 0.00 -0.27 0.00 0.00 62.75 62.08 2krs n ILE 24 Cb 0.52 1.12 0.01 0.00 -1.74 0.00 0.00 39.64 39.54 2krs n ILE 24 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2krs s GLY 25 N -1.96 -0.22 -0.05 3.28 0.00 -1.26 -5.02 107.32 102.09 2krs s GLY 25 Ca 0.10 0.27 0.04 0.00 0.00 0.00 0.00 44.72 45.14 2krs s GLY 25 CO 0.44 2.95 -0.18 -1.59 0.00 0.00 0.00 173.10 174.72 2krs s THR 26 N -2.22 1.49 0.05 0.90 2.01 -1.26 -1.87 115.64 114.74 2krs s THR 26 Ca 0.22 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2krs s THR 26 Cb 0.02 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 2krs s THR 26 CO -0.01 0.43 0.07 -0.76 -0.69 0.00 0.00 174.62 173.65 2krs s LEU 27 N 0.07 3.78 0.27 4.42 1.43 0.81 -4.96 118.68 124.51 2krs s LEU 27 Ca -0.05 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 2krs s LEU 27 Cb -0.12 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2krs s LEU 27 CO 0.03 0.21 0.31 -0.13 0.23 0.00 0.00 176.35 176.99 2krs s ARG 28 N -2.13 3.09 0.41 1.70 1.81 -1.26 -1.92 118.95 120.65 2krs s ARG 28 Ca 0.26 -0.99 -0.26 0.00 -1.72 0.00 0.00 55.73 53.03 2krs s ARG 28 Cb -0.12 -2.70 -0.08 0.00 -0.45 0.00 0.00 34.95 31.60 2krs s ARG 28 CO 0.19 0.31 1.30 0.54 -0.68 0.00 0.00 175.30 176.95 2krs s ASN 29 N -3.96 6.26 -1.50 0.23 2.20 -1.26 -2.68 114.94 114.23 2krs s ASN 29 Ca 0.36 2.64 -0.05 0.00 -0.94 0.00 0.00 52.86 54.87 2krs s ASN 29 Cb -0.08 -2.64 0.02 0.00 -2.00 0.00 0.00 41.25 36.55 2krs s ASN 29 CO 0.27 -0.89 0.51 -3.20 -2.94 0.00 0.00 177.10 170.85 2krs n ASN 30 N 0.04 -5.51 -4.61 3.54 5.15 0.12 -4.92 115.26 109.08 2krs n ASN 30 Ca 0.04 -0.26 -0.42 0.00 -0.60 0.00 0.00 54.58 53.34 2krs n ASN 30 Cb 0.44 -4.49 -0.04 0.00 -0.53 0.00 0.00 39.78 35.16 2krs n ASN 30 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2krs s ASP 31 N -2.62 6.68 0.04 1.20 -1.08 -1.09 -4.84 116.67 114.96 2krs s ASP 31 Ca 0.28 0.60 -0.31 0.00 -0.52 0.00 0.00 52.55 52.61 2krs s ASP 31 Cb -0.13 -2.45 -0.06 0.00 -1.46 0.00 0.00 42.92 38.82 2krs s ASP 31 CO 0.35 -0.80 1.27 -0.54 0.52 0.00 0.00 175.17 175.98 2krs s LYS 32 N 3.33 4.37 0.09 4.34 -0.14 -1.26 -3.15 119.74 127.33 2krs s LYS 32 Ca 0.37 1.85 0.00 0.00 -1.36 0.00 0.00 55.97 56.83 2krs s LYS 32 Cb -0.13 -3.40 -0.04 0.00 -1.68 0.00 0.00 37.83 32.58 2krs s LYS 32 CO 0.17 -0.38 -0.03 0.14 -0.76 0.00 0.00 175.35 174.49 2krs s VAL 33 N 1.50 0.44 -0.22 3.17 -7.23 -0.92 -5.05 120.40 112.08 2krs s VAL 33 Ca 0.60 -1.89 -0.06 0.00 -1.81 0.00 0.00 61.98 58.82 2krs s VAL 33 Cb -0.31 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2krs s VAL 33 CO 0.28 -0.82 0.04 -1.61 -0.31 0.00 0.00 175.10 172.68 2krs s GLU 34 N -3.90 3.70 -0.12 4.82 8.01 -1.26 -2.21 118.70 127.74 2krs s GLU 34 Ca 0.13 -0.47 -0.21 0.00 0.01 0.00 0.00 54.97 54.43 2krs s GLU 34 Cb 0.07 -3.21 -0.03 0.00 -4.31 0.00 0.00 34.13 26.64 2krs s GLU 34 CO -0.05 -0.02 0.63 0.42 0.01 0.00 0.00 175.26 176.25 2krs s ILE 35 N 1.14 5.07 -0.20 -1.63 1.01 -1.26 -2.67 121.20 122.66 2krs s ILE 35 Ca 0.04 1.26 -0.16 0.00 0.00 0.00 0.00 60.65 61.78 2krs s ILE 35 Cb -0.14 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 2krs s ILE 35 CO 0.03 0.23 -0.30 -0.38 0.00 0.00 0.00 174.94 174.51 2krs n ILE 36 N 4.02 1.50 -3.93 2.92 5.41 0.43 -4.98 119.36 124.73 2krs n ILE 36 Ca -0.03 -0.01 -0.10 0.00 1.00 0.00 0.00 62.75 63.62 2krs n ILE 36 Cb 0.51 -2.21 -0.10 0.00 -0.71 0.00 0.00 39.64 37.13 2krs n ILE 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2krs s LYS 37 N -2.68 0.52 -0.20 0.38 1.02 -1.25 -5.00 119.74 112.53 2krs s LYS 37 Ca -0.30 -0.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.00 2krs s LYS 37 Cb 0.07 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 2krs s LYS 37 CO 0.43 -0.12 -0.11 -2.00 -0.92 0.00 0.00 175.35 172.62 2krs s GLU 38 N -2.20 3.21 -0.05 1.68 2.12 -1.26 0.32 118.70 122.52 2krs s GLU 38 Ca -0.08 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.56 2krs s GLU 38 Cb -0.04 -2.80 0.01 0.00 0.26 0.00 0.00 34.13 31.56 2krs s GLU 38 CO -0.03 -0.17 -0.12 0.08 -0.54 0.00 0.00 175.26 174.47 2krs s VAL 39 N 1.32 1.12 -1.38 3.70 1.01 0.69 -4.76 120.40 122.11 2krs s VAL 39 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2krs s VAL 39 Cb -0.14 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2krs s VAL 39 CO -0.07 0.35 0.00 0.47 0.00 0.00 0.00 175.10 175.85 2krs n ASP 40 N 3.60 -4.29 0.00 3.32 8.00 -1.26 0.32 116.55 126.25 2krs n ASP 40 Ca -0.21 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2krs n ASP 40 Cb 0.52 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 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 -0.66 2.14 3.80 0.44 0.00 -1.26 -5.03 105.19 104.62 2krs n GLY 41 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.31 3.69 -0.18 1.61 0.52 0.15 -4.14 118.94 118.28 2krs s TRP 42 Ca 0.00 1.55 -0.08 0.00 0.02 0.00 0.00 56.10 57.59 2krs s TRP 42 Cb 0.00 -2.74 -0.04 0.00 -1.15 0.00 0.00 33.47 29.54 2krs s TRP 42 CO 0.00 0.31 0.07 0.71 0.02 0.00 0.00 176.95 178.06 2krs s TYR 43 N -1.52 3.27 -0.22 -1.98 2.02 -0.92 -0.22 117.35 117.79 2krs s TYR 43 Ca 0.45 0.11 -0.20 0.00 -0.37 0.00 0.00 57.07 57.06 2krs s TYR 43 Cb -0.18 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.28 2krs s TYR 43 CO 0.22 0.19 0.60 -2.00 -1.57 0.00 0.00 175.55 172.99 2krs s GLU 44 N 0.31 4.17 0.17 -0.62 2.12 0.15 -2.14 118.70 122.86 2krs s GLU 44 Ca 0.04 0.53 0.06 0.00 0.36 0.00 0.00 54.97 55.97 2krs s GLU 44 Cb -0.12 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 2krs s GLU 44 CO -0.00 -0.27 -0.13 0.96 -0.54 0.00 0.00 175.26 175.28 2krs s ILE 45 N 2.03 1.48 -0.12 -3.70 -4.36 -1.00 -0.43 121.20 115.09 2krs s ILE 45 Ca 0.26 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 2krs s ILE 45 Cb -0.16 -1.89 -0.00 0.00 1.25 0.00 0.00 42.46 41.66 2krs s ILE 45 CO 0.10 -0.61 -0.20 -0.60 0.24 0.00 0.00 174.94 173.86 2krs s ARG 46 N -3.51 3.15 -0.10 0.37 3.52 -1.09 -2.13 118.95 119.18 2krs s ARG 46 Ca 0.18 -0.81 -0.07 0.00 -0.13 0.00 0.00 55.73 54.90 2krs s ARG 46 Cb -0.00 -2.45 0.03 0.00 -1.56 0.00 0.00 34.95 30.97 2krs s ARG 46 CO 0.04 0.14 0.24 0.12 -0.81 0.00 0.00 175.30 175.03 2krs s PHE 47 N 0.48 -0.29 -1.47 5.12 5.36 0.15 -4.28 117.98 123.04 2krs s PHE 47 Ca -0.13 0.71 -0.04 0.00 -0.96 0.00 0.00 56.93 56.50 2krs s PHE 47 Cb -0.17 0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.60 2krs s PHE 47 CO 0.05 -0.18 0.41 0.09 -1.46 0.00 0.00 175.22 174.14 2krs n ASN 48 N 3.56 -5.30 0.00 6.13 5.03 -1.26 0.01 115.26 123.43 2krs n ASN 48 Ca -0.19 -0.21 0.00 0.00 0.87 0.00 0.00 54.58 55.05 2krs n ASN 48 Cb 0.56 -4.34 0.00 0.00 -1.02 0.00 0.00 39.78 34.98 2krs n ASN 48 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2krs n GLY 49 N -1.28 0.47 3.63 7.41 0.00 -1.26 -5.00 105.19 109.16 2krs n GLY 49 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2krs n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krs s LYS 50 N -0.50 2.47 -0.10 1.61 1.02 0.10 -5.12 119.74 119.22 2krs s LYS 50 Ca 0.00 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.20 2krs s LYS 50 Cb 0.00 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2krs s LYS 50 CO 0.00 0.56 -0.20 0.08 -0.92 0.00 0.00 175.35 174.87 2krs s VAL 51 N -1.16 2.41 0.00 3.17 1.01 -1.26 0.30 120.40 124.86 2krs s VAL 51 Ca 0.21 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2krs s VAL 51 Cb -0.11 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2krs s VAL 51 CO 0.13 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2krs n GLY 52 N 3.36 4.06 3.16 4.51 0.00 -0.90 -4.87 105.19 114.50 2krs n GLY 52 Ca -0.18 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.27 0.91 0.05 1.61 1.51 0.14 -2.38 117.35 116.91 2krs s TYR 53 Ca 0.00 -0.82 -0.09 0.00 -1.01 0.00 0.00 57.07 55.15 2krs s TYR 53 Cb 0.00 -0.52 0.00 0.00 -0.11 0.00 0.00 41.96 41.34 2krs s TYR 53 CO 0.00 -0.11 0.20 0.00 -1.11 0.00 0.00 175.55 174.53 2krs s ALA 54 N -3.18 -0.34 0.58 3.71 0.00 -0.91 -2.57 121.76 119.04 2krs s ALA 54 Ca 0.09 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.52 2krs s ALA 54 Cb 0.02 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 2krs s ALA 54 CO -0.03 -0.39 1.12 -1.12 0.00 0.00 0.00 175.76 175.34 2krs s SER 55 N -2.24 5.55 0.44 0.00 0.01 -1.26 -2.17 113.70 114.03 2krs s SER 55 Ca -0.03 2.12 0.28 0.00 1.31 0.00 0.00 55.95 59.63 2krs s SER 55 Cb 0.00 -2.57 0.86 0.00 0.21 0.00 0.00 66.02 64.52 2krs s SER 55 CO -0.05 -1.34 1.79 0.07 0.41 0.00 0.00 173.24 174.12 2krs h LYS 56 N 0.86 0.00 -0.63 12.44 2.10 -1.84 -2.96 116.57 126.55 2krs h LYS 56 Ca -0.49 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.14 2krs h LYS 56 Cb 1.26 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.56 2krs h LYS 56 CO 0.56 0.00 0.33 0.77 -2.00 0.00 0.00 179.45 179.11 2krs h SER 57 N 0.00 0.80 0.02 7.07 0.02 -1.93 -2.80 113.55 116.73 2krs h SER 57 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2krs h SER 57 Cb 0.71 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2krs h SER 57 CO 0.00 0.68 -0.20 -1.22 -1.14 0.00 0.00 176.83 174.95 2krs n TYR 58 N -4.53 0.00 -4.65 3.45 4.01 -1.22 -4.86 117.16 109.35 2krs n TYR 58 Ca 0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.45 2krs n TYR 58 Cb 0.10 -0.02 -0.14 0.00 -0.31 0.00 0.00 39.34 38.97 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 -2.24 3.08 -0.08 -0.72 1.09 -1.06 -1.22 121.20 120.06 2krs s ILE 59 Ca 0.26 -0.64 0.03 0.00 -1.10 0.00 0.00 60.65 59.20 2krs s ILE 59 Cb 0.19 -2.31 0.01 0.00 -1.06 0.00 0.00 42.46 39.29 2krs s ILE 59 CO 0.43 0.51 -0.17 -0.89 -0.10 0.00 0.00 174.94 174.72 2krs s THR 60 N 0.49 1.54 0.01 2.92 2.01 -1.06 -4.69 115.64 116.87 2krs s THR 60 Ca -0.09 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 2krs s THR 60 Cb -0.16 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 2krs s THR 60 CO 0.04 0.45 1.04 -0.63 -0.69 0.00 0.00 174.62 174.83 2krs s ILE 61 N 0.49 4.64 -0.17 1.82 -1.09 -1.26 -2.45 121.20 123.18 2krs s ILE 61 Ca -0.16 1.90 -0.14 0.00 -2.23 0.00 0.00 60.65 60.02 2krs s ILE 61 Cb -0.16 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.45 2krs s ILE 61 CO 0.06 0.14 0.32 -0.69 -1.23 0.00 0.00 174.94 173.53 2krs s VAL 62 N 1.11 5.28 -0.35 2.92 1.01 -0.60 -4.64 120.40 125.13 2krs s VAL 62 Ca 0.54 0.59 -0.09 0.00 0.00 0.00 0.00 61.98 63.02 2krs s VAL 62 Cb -0.23 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2krs s VAL 62 CO 0.28 0.36 0.30 -3.20 0.00 0.00 0.00 175.10 172.84 2krs n ASN 63 N 3.73 -7.77 0.00 3.32 2.85 -1.26 -4.11 115.26 112.02 2krs n ASN 63 Ca -0.11 0.89 0.14 0.00 -0.11 0.00 0.00 54.58 55.39 2krs n ASN 63 Cb 0.52 -4.92 0.75 0.00 1.24 0.00 0.00 39.78 37.37 2krs n ASN 63 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2krs n GLU 64 N 0.26 0.54 0.00 1.20 1.02 -1.26 -4.80 120.64 117.60 2krs n GLU 64 Ca 0.05 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2krs n GLU 64 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2krs n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2krs n GLY 65 N 1.01 0.00 3.77 0.62 0.00 -1.26 -4.98 105.19 104.36 2krs n GLY 65 Ca 0.16 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 2krs n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2krs s SER 66 N -1.46 7.00 0.00 1.61 0.01 -1.26 -4.94 113.70 114.67 2krs s SER 66 Ca 0.00 2.19 0.26 0.00 1.31 0.00 0.00 55.95 59.72 2krs s SER 66 Cb 0.00 -2.61 0.72 0.00 0.21 0.00 0.00 66.02 64.34 2krs s SER 66 CO 0.00 -0.32 1.55 0.18 0.41 0.00 0.00 173.24 175.05 2krs n LEU 67 N 0.62 1.28 -4.73 2.44 4.32 -1.26 -4.91 117.00 114.76 2krs n LEU 67 Ca 0.02 -0.38 -0.42 0.00 -0.02 0.00 0.00 56.01 55.21 2krs n LEU 67 Cb 0.47 -0.08 -0.03 0.00 -1.62 0.00 0.00 43.42 42.16 2krs n LEU 67 CO 0.50 0.23 1.08 -0.70 -1.22 0.00 0.00 177.39 177.29 2krs s GLU 68 N -2.38 4.30 0.44 3.23 2.56 -1.26 -5.00 118.70 120.59 2krs s GLU 68 Ca 0.27 2.18 -0.15 0.00 0.00 0.00 0.00 54.97 57.27 2krs s GLU 68 Cb 0.19 -3.18 -0.08 0.00 2.00 0.00 0.00 34.13 33.06 2krs s GLU 68 CO 0.48 -0.41 0.87 -1.01 -0.56 0.00 0.00 175.26 174.63 2krs s HIS 69 N 0.55 3.42 -0.07 5.30 3.76 -1.26 -5.01 115.29 121.97 2krs s HIS 69 Ca 0.62 1.33 -0.30 0.00 -0.15 0.00 0.00 55.06 56.56 2krs s HIS 69 Cb -0.39 -2.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.61 2krs s HIS 69 CO 0.36 -0.17 1.27 -1.01 -0.85 0.00 0.00 174.74 174.34 2krs s HIS 70 N -2.37 2.99 0.21 1.40 3.76 -1.26 -4.83 115.29 115.19 2krs s HIS 70 Ca 0.56 1.05 0.00 0.00 -0.15 0.00 0.00 55.06 56.52 2krs s HIS 70 Cb -0.10 -3.51 0.00 0.00 1.11 0.00 0.00 32.58 30.08 2krs s HIS 70 CO 0.26 -1.73 0.00 1.58 -0.85 0.00 0.00 174.74 174.00 2krs n HIS 71 N 5.67 -1.87 1.51 1.40 -0.00 -1.26 -4.14 115.22 116.52 2krs n HIS 71 Ca 0.12 0.96 0.15 0.00 0.46 0.00 0.00 57.72 59.41 2krs n HIS 71 Cb 0.45 -1.70 0.69 0.00 -0.12 0.00 0.00 29.99 29.31 2krs n HIS 71 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2krs n HIS 72 N -2.83 0.00 -2.98 1.57 -0.00 -1.26 -4.99 115.22 104.73 2krs n HIS 72 Ca -0.01 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 2krs n HIS 72 Cb 0.59 -0.16 -0.00 0.00 -0.12 0.00 0.00 29.99 30.29 2krs n HIS 72 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2krs n HIS 73 N -0.96 -1.63 0.00 1.57 -0.00 -1.26 -5.22 115.22 107.72 2krs n HIS 73 Ca 0.16 0.79 0.00 0.00 -0.00 0.00 0.00 57.72 58.67 2krs n HIS 73 Cb 0.25 -2.18 0.00 0.00 -0.00 0.00 0.00 29.99 28.05 2krs n HIS 73 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06