#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 1.55 0.56 2.12 -0.21 -1.26 -3.64 119.66 118.78 2krs s GLN 2 Ca 0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 55.36 55.01 2krs s GLN 2 Cb 0.00 -1.36 0.02 0.00 1.00 0.00 0.00 33.01 32.67 2krs s GLN 2 CO 0.00 -0.04 0.83 0.20 -2.12 0.00 0.00 175.29 174.16 2krs s GLY 3 N 0.90 1.65 -0.09 3.09 0.00 -0.22 -4.30 107.32 108.35 2krs s GLY 3 Ca -0.10 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.69 2krs s GLY 3 CO 0.01 -0.69 -0.18 0.14 0.00 0.00 0.00 173.10 172.38 2krs s VAL 4 N -2.87 1.62 -0.42 1.40 1.01 -1.07 -2.17 120.40 117.91 2krs s VAL 4 Ca 0.54 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 2krs s VAL 4 Cb -0.10 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2krs s VAL 4 CO 0.42 0.46 0.42 -0.69 0.00 0.00 0.00 175.10 175.71 2krs s VAL 5 N 0.56 5.10 -0.18 2.92 1.01 -1.06 -2.62 120.40 126.12 2krs s VAL 5 Ca -0.15 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2krs s VAL 5 Cb -0.17 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2krs s VAL 5 CO 0.05 -0.40 -0.18 -0.75 0.00 0.00 0.00 175.10 173.82 2krs s LYS 6 N 2.09 3.03 0.05 2.72 2.20 -1.18 0.03 119.74 128.69 2krs s LYS 6 Ca 0.11 -0.81 -0.02 0.00 -0.36 0.00 0.00 55.97 54.90 2krs s LYS 6 Cb -0.17 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 2krs s LYS 6 CO 0.13 -0.21 -0.01 0.54 -0.36 0.00 0.00 175.35 175.44 2krs s VAL 7 N 1.31 0.21 0.22 4.02 0.11 -1.26 -4.72 120.40 120.28 2krs s VAL 7 Ca 0.05 -1.73 -0.09 0.00 -2.93 0.00 0.00 61.98 57.28 2krs s VAL 7 Cb -0.13 -1.47 0.17 0.00 -1.53 0.00 0.00 36.38 33.42 2krs s VAL 7 CO -0.12 -0.96 1.86 -1.13 -3.33 0.00 0.00 175.10 171.42 2krs h ASN 8 N 3.16 0.97 0.00 3.54 -0.73 -1.99 -3.42 115.58 117.10 2krs h ASN 8 Ca -0.34 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 57.77 2krs h ASN 8 Cb 1.15 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.49 2krs h ASN 8 CO 0.65 0.75 0.00 -0.24 -0.37 0.00 0.00 177.43 178.21 2krs n SER 9 N -4.47 0.07 -3.62 1.15 2.88 -1.26 -5.03 113.62 103.35 2krs n SER 9 Ca 0.08 0.05 -0.15 0.00 -1.33 0.00 0.00 58.87 57.52 2krs n SER 9 Cb 0.06 0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.45 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 -1.60 -0.15 -1.46 0.00 -1.26 -4.11 121.76 111.17 2krs s ALA 10 Ca 0.00 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 2krs s ALA 10 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2krs s ALA 10 CO 0.00 -0.33 -0.08 -1.17 0.00 0.00 0.00 175.76 174.19 2krs s LEU 11 N -0.30 2.99 0.30 0.00 2.96 -0.36 -4.92 118.68 119.36 2krs s LEU 11 Ca -0.05 -0.24 -0.28 0.00 -0.22 0.00 0.00 54.13 53.34 2krs s LEU 11 Cb -0.03 -1.71 -0.09 0.00 0.50 0.00 0.00 46.19 44.86 2krs s LEU 11 CO 0.04 0.15 1.06 0.20 -1.32 0.00 0.00 176.35 176.48 2krs s ASN 12 N 0.46 7.23 0.03 3.68 0.01 -1.26 0.09 114.94 125.17 2krs s ASN 12 Ca -0.06 2.15 -0.00 0.00 -0.71 0.00 0.00 52.86 54.24 2krs s ASN 12 Cb -0.15 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 2krs s ASN 12 CO 0.04 -0.16 0.13 -0.32 -1.51 0.00 0.00 177.10 175.27 2krs s MET 13 N -1.65 3.19 0.01 -0.60 1.75 -0.81 -4.89 119.30 116.29 2krs s MET 13 Ca 0.47 -0.48 0.08 0.00 -1.25 0.00 0.00 55.69 54.51 2krs s MET 13 Cb -0.28 -2.92 -0.02 0.00 2.84 0.00 0.00 34.83 34.44 2krs s MET 13 CO 0.36 0.63 -0.25 1.03 -0.65 0.00 0.00 175.02 176.14 2krs s ARG 14 N -2.08 1.99 0.18 4.11 0.52 -0.98 -2.50 118.95 120.20 2krs s ARG 14 Ca 0.28 -1.00 -0.08 0.00 -0.52 0.00 0.00 55.73 54.40 2krs s ARG 14 Cb -0.12 -2.04 0.08 0.00 0.52 0.00 0.00 34.95 33.39 2krs s ARG 14 CO 0.20 0.54 1.62 0.66 0.02 0.00 0.00 175.30 178.33 2krs h SER 15 N 5.14 1.00 -1.56 0.23 4.64 -1.80 0.71 113.55 121.91 2krs h SER 15 Ca -0.45 -0.32 -0.58 0.00 -0.47 0.00 0.00 61.79 59.96 2krs h SER 15 Cb 1.13 -0.27 -0.10 0.00 -0.31 0.00 0.00 62.40 62.85 2krs h SER 15 CO 0.46 1.11 -0.52 -0.83 -0.87 0.00 0.00 176.83 176.18 2krs s GLY 16 N -3.67 2.40 -1.31 -0.77 0.00 -1.26 -4.16 107.32 98.55 2krs s GLY 16 Ca -0.11 -2.11 -0.09 0.00 0.00 0.00 0.00 44.72 42.41 2krs s GLY 16 CO 0.86 -1.96 3.03 -1.55 0.00 0.00 0.00 173.10 173.48 2krs n PRO 17 N -1.19 3.33 -3.63 2.90 -0.04 -1.26 -4.44 135.00 130.67 2krs n PRO 17 Ca -0.02 -1.95 -0.04 0.00 -0.04 0.00 0.00 63.50 61.45 2krs n PRO 17 Cb 0.65 -2.64 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 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 2.20 0.03 0.38 0.55 0.00 -1.26 -5.00 107.32 104.22 2krs s GLY 18 Ca 0.68 2.71 0.27 0.00 0.00 0.00 0.00 44.72 48.38 2krs s GLY 18 CO -0.05 1.12 1.82 0.23 0.00 0.00 0.00 173.10 176.23 2krs h SER 19 N 2.19 0.00 0.47 1.64 0.87 -1.93 -1.60 113.55 115.19 2krs h SER 19 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2krs h SER 19 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2krs h SER 19 CO 0.23 0.00 0.00 -3.20 -0.53 0.00 0.00 176.83 173.33 2krs n ASN 20 N -2.47 0.00 -0.23 6.23 2.85 -1.26 -2.16 115.26 118.21 2krs n ASN 20 Ca -0.00 0.20 0.12 0.00 -0.11 0.00 0.00 54.58 54.79 2krs n ASN 20 Cb 0.13 -0.37 0.26 0.00 1.24 0.00 0.00 39.78 41.04 2krs n ASN 20 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2krs n TYR 21 N -1.37 0.00 -2.51 1.20 4.01 -0.60 -5.07 117.16 112.82 2krs n TYR 21 Ca 0.07 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.89 2krs n TYR 21 Cb 0.18 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 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 1.39 -1.74 3.58 2.72 0.00 -0.92 -4.54 105.19 105.68 2krs n GLY 22 Ca 0.10 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.04 4.52 -1.16 1.61 0.11 -1.26 -4.23 120.40 118.94 2krs s VAL 23 Ca 0.00 -0.13 0.15 0.00 -2.93 0.00 0.00 61.98 59.08 2krs s VAL 23 Cb 0.00 -3.03 -0.07 0.00 -1.53 0.00 0.00 36.38 31.75 2krs s VAL 23 CO 0.00 0.46 0.76 2.30 -3.33 0.00 0.00 175.10 175.29 2krs n ILE 24 N 3.68 0.00 -3.93 7.04 -5.35 -1.04 -5.03 119.36 114.73 2krs n ILE 24 Ca -0.17 -0.26 0.01 0.00 -0.27 0.00 0.00 62.75 62.06 2krs n ILE 24 Cb 0.52 1.11 0.01 0.00 -1.74 0.00 0.00 39.64 39.55 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 1.22 0.41 3.22 3.28 0.00 -1.26 -5.05 105.19 107.02 2krs n GLY 25 Ca 0.05 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.08 1.15 0.10 2.61 -4.23 -1.26 -1.93 115.64 110.01 2krs s THR 26 Ca 0.21 -1.76 0.09 0.00 -1.18 0.00 0.00 61.69 59.05 2krs s THR 26 Cb -0.01 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 2krs s THR 26 CO 0.00 -0.53 -0.22 -0.76 -0.54 0.00 0.00 174.62 172.56 2krs s LEU 27 N -2.59 2.29 -0.00 4.79 1.43 0.11 -4.87 118.68 119.84 2krs s LEU 27 Ca 0.09 -0.69 0.05 0.00 -1.03 0.00 0.00 54.13 52.55 2krs s LEU 27 Cb -0.03 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 2krs s LEU 27 CO 0.01 0.10 -0.13 -0.60 0.23 0.00 0.00 176.35 175.96 2krs s ARG 28 N -1.87 2.37 0.69 1.70 3.52 -1.26 -1.22 118.95 122.88 2krs s ARG 28 Ca 0.08 -0.80 -0.17 0.00 -0.13 0.00 0.00 55.73 54.71 2krs s ARG 28 Cb -0.10 -2.36 -0.09 0.00 -1.56 0.00 0.00 34.95 30.85 2krs s ARG 28 CO 0.04 0.59 0.18 0.27 -0.81 0.00 0.00 175.30 175.57 2krs n ASN 29 N 1.79 -2.48 -2.56 -2.12 0.23 -1.26 -2.42 115.26 106.45 2krs n ASN 29 Ca -0.16 0.56 -0.21 0.00 -0.53 0.00 0.00 54.58 54.25 2krs n ASN 29 Cb 0.52 -1.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.17 2krs n ASN 29 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2krs n ASN 30 N 0.99 -5.75 -4.59 0.53 3.02 0.11 -4.96 115.26 104.60 2krs n ASN 30 Ca 0.08 -0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 2krs n ASN 30 Cb 0.50 -4.76 -0.08 0.00 -0.61 0.00 0.00 39.78 34.83 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 -2.21 6.35 0.12 6.41 2.15 -1.01 -4.91 116.67 123.57 2krs s ASP 31 Ca 0.08 0.27 -0.30 0.00 0.43 0.00 0.00 52.55 53.02 2krs s ASP 31 Cb -0.03 -2.26 -0.07 0.00 -0.30 0.00 0.00 42.92 40.26 2krs s ASP 31 CO 0.09 -0.33 1.22 -0.54 -0.17 0.00 0.00 175.17 175.44 2krs s LYS 32 N 2.29 4.45 0.08 4.34 -0.14 -1.26 -2.58 119.74 126.92 2krs s LYS 32 Ca 0.19 1.85 -0.00 0.00 -1.36 0.00 0.00 55.97 56.65 2krs s LYS 32 Cb -0.16 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 2krs s LYS 32 CO 0.11 -0.20 -0.03 0.14 -0.76 0.00 0.00 175.35 174.62 2krs s VAL 33 N 0.54 0.38 -0.24 3.17 -7.23 -0.92 -5.01 120.40 111.09 2krs s VAL 33 Ca 0.57 -1.87 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 2krs s VAL 33 Cb -0.32 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2krs s VAL 33 CO 0.33 -0.86 0.03 -0.70 -0.31 0.00 0.00 175.10 173.58 2krs s GLU 34 N -3.91 3.55 -0.08 4.82 2.12 -1.26 -1.06 118.70 122.89 2krs s GLU 34 Ca 0.12 -0.53 -0.24 0.00 0.36 0.00 0.00 54.97 54.67 2krs s GLU 34 Cb 0.07 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 2krs s GLU 34 CO -0.06 -0.18 0.75 0.42 -0.54 0.00 0.00 175.26 175.65 2krs s ILE 35 N 1.53 5.00 -0.13 -3.70 1.01 -1.24 -2.69 121.20 120.97 2krs s ILE 35 Ca 0.06 1.55 -0.11 0.00 0.00 0.00 0.00 60.65 62.15 2krs s ILE 35 Cb -0.15 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2krs s ILE 35 CO 0.01 0.20 -0.21 -0.38 0.00 0.00 0.00 174.94 174.56 2krs n ILE 36 N 3.97 1.26 -3.78 2.92 5.41 0.18 -4.79 119.36 124.53 2krs n ILE 36 Ca 0.01 0.23 -0.10 0.00 1.00 0.00 0.00 62.75 63.89 2krs n ILE 36 Cb 0.51 -2.26 -0.07 0.00 -0.71 0.00 0.00 39.64 37.11 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 -2.28 0.88 -0.20 0.38 1.02 -1.25 -4.99 119.74 113.30 2krs s LYS 37 Ca -0.17 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.01 2krs s LYS 37 Cb 0.02 0.37 -0.01 0.00 -0.52 0.00 0.00 37.83 37.69 2krs s LYS 37 CO 0.25 -0.30 -0.04 -2.00 -0.92 0.00 0.00 175.35 172.34 2krs s GLU 38 N -3.47 3.44 -0.08 1.68 2.12 -1.26 0.09 118.70 121.22 2krs s GLU 38 Ca 0.02 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 54.77 2krs s GLU 38 Cb 0.02 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.44 2krs s GLU 38 CO -0.09 -0.09 -0.17 0.08 -0.54 0.00 0.00 175.26 174.45 2krs s VAL 39 N 1.21 1.49 -1.20 3.70 1.01 0.11 -4.72 120.40 121.99 2krs s VAL 39 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2krs s VAL 39 Cb -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2krs s VAL 39 CO -0.01 0.43 0.00 -0.67 0.00 0.00 0.00 175.10 174.86 2krs n ASP 40 N 3.70 -3.94 0.00 3.32 2.03 -1.26 0.35 116.55 120.74 2krs n ASP 40 Ca -0.21 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2krs n ASP 40 Cb 0.52 -3.43 0.00 0.00 -0.72 0.00 0.00 41.12 37.50 2krs n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krs n GLY 41 N -0.67 3.23 3.75 0.27 0.00 -1.26 -5.03 105.19 105.49 2krs n GLY 41 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.23 3.79 -0.19 1.61 0.52 0.15 -4.41 118.94 118.18 2krs s TRP 42 Ca 0.00 1.81 -0.11 0.00 0.02 0.00 0.00 56.10 57.82 2krs s TRP 42 Cb 0.00 -3.12 -0.05 0.00 -1.15 0.00 0.00 33.47 29.15 2krs s TRP 42 CO 0.00 -0.02 0.17 0.71 0.02 0.00 0.00 176.95 177.83 2krs s TYR 43 N -1.19 3.42 -0.24 -1.98 2.02 -1.09 0.06 117.35 118.35 2krs s TYR 43 Ca 0.43 0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 57.31 2krs s TYR 43 Cb -0.29 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.05 2krs s TYR 43 CO 0.36 0.27 0.69 -2.00 -1.57 0.00 0.00 175.55 173.31 2krs s GLU 44 N 0.39 4.15 0.18 -0.62 2.12 0.11 -2.05 118.70 122.99 2krs s GLU 44 Ca 0.10 0.68 0.07 0.00 0.36 0.00 0.00 54.97 56.18 2krs s GLU 44 Cb -0.11 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 2krs s GLU 44 CO -0.01 -0.42 -0.15 0.96 -0.54 0.00 0.00 175.26 175.11 2krs s ILE 45 N 2.53 1.64 -0.13 -3.70 -4.36 -0.87 0.48 121.20 116.80 2krs s ILE 45 Ca 0.29 -2.09 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 2krs s ILE 45 Cb -0.15 -1.93 0.01 0.00 1.25 0.00 0.00 42.46 41.63 2krs s ILE 45 CO 0.08 -0.55 -0.22 -0.60 0.24 0.00 0.00 174.94 173.89 2krs s ARG 46 N -3.40 3.03 -0.06 0.37 3.52 -1.10 -1.92 118.95 119.39 2krs s ARG 46 Ca 0.19 -0.86 -0.07 0.00 -0.13 0.00 0.00 55.73 54.86 2krs s ARG 46 Cb -0.02 -2.40 0.02 0.00 -1.56 0.00 0.00 34.95 30.99 2krs s ARG 46 CO 0.06 0.04 0.19 0.12 -0.81 0.00 0.00 175.30 174.90 2krs s PHE 47 N 0.68 -0.19 -1.59 5.12 5.36 0.67 -4.27 117.98 123.76 2krs s PHE 47 Ca -0.10 0.45 -0.03 0.00 -0.96 0.00 0.00 56.93 56.28 2krs s PHE 47 Cb -0.16 0.06 0.01 0.00 -0.34 0.00 0.00 43.02 42.59 2krs s PHE 47 CO 0.01 -0.12 0.37 -1.71 -1.46 0.00 0.00 175.22 172.32 2krs n ASN 48 N 2.83 -5.79 0.00 6.13 2.85 -1.26 -0.42 115.26 119.61 2krs n ASN 48 Ca -0.13 -0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.15 2krs n ASN 48 Cb 0.58 -4.74 0.00 0.00 1.24 0.00 0.00 39.78 36.87 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 -1.30 0.45 3.72 8.20 0.00 -1.26 -4.98 105.19 110.02 2krs n GLY 49 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.61 2.66 -0.10 1.61 1.02 0.44 -5.12 119.74 119.65 2krs s LYS 50 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.21 2krs s LYS 50 Cb 0.00 -2.60 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 2krs s LYS 50 CO 0.00 0.54 -0.18 0.08 -0.92 0.00 0.00 175.35 174.88 2krs s VAL 51 N -1.37 2.67 0.00 3.17 1.01 -1.26 -0.24 120.40 124.38 2krs s VAL 51 Ca 0.27 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2krs s VAL 51 Cb -0.12 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.19 2krs s VAL 51 CO 0.20 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.46 2krs n GLY 52 N 3.29 3.62 3.20 4.51 0.00 -0.81 -4.78 105.19 114.23 2krs n GLY 52 Ca -0.18 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.48 1.11 0.02 1.61 1.51 0.25 -2.05 117.35 117.32 2krs s TYR 53 Ca 0.00 -0.72 -0.02 0.00 -1.01 0.00 0.00 57.07 55.32 2krs s TYR 53 Cb 0.00 -0.60 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 2krs s TYR 53 CO 0.00 0.01 0.01 0.00 -1.11 0.00 0.00 175.55 174.46 2krs s ALA 54 N -2.89 0.06 0.55 3.71 0.00 -0.87 -2.31 121.76 120.00 2krs s ALA 54 Ca 0.10 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.30 2krs s ALA 54 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 2krs s ALA 54 CO -0.00 -0.20 1.25 -1.12 0.00 0.00 0.00 175.76 175.69 2krs s SER 55 N -1.62 5.39 0.42 0.00 0.01 -1.26 -2.67 113.70 113.97 2krs s SER 55 Ca -0.13 2.50 0.22 0.00 1.31 0.00 0.00 55.95 59.85 2krs s SER 55 Cb -0.07 -2.61 0.35 0.00 0.21 0.00 0.00 66.02 63.90 2krs s SER 55 CO -0.02 -1.47 1.60 0.07 0.41 0.00 0.00 173.24 173.84 2krs h LYS 56 N 1.29 0.00 -0.49 12.44 2.10 -1.86 -3.01 116.57 127.04 2krs h LYS 56 Ca -0.50 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.06 2krs h LYS 56 Cb 1.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 2krs h LYS 56 CO 0.57 0.09 -0.05 0.66 -2.00 0.00 0.00 179.45 178.71 2krs h SER 57 N 0.00 0.84 0.00 7.07 4.64 -1.94 -2.92 113.55 121.24 2krs h SER 57 Ca -0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2krs h SER 57 Cb 1.04 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2krs h SER 57 CO 0.01 0.94 -0.13 -1.22 -0.87 0.00 0.00 176.83 175.56 2krs n TYR 58 N -4.18 0.00 -4.75 4.77 4.02 -1.23 -4.88 117.16 110.91 2krs n TYR 58 Ca 0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.58 2krs n TYR 58 Cb 0.34 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.51 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 -2.15 3.15 -0.11 -0.72 1.09 -1.10 -3.11 121.20 118.24 2krs s ILE 59 Ca 0.28 -0.63 0.03 0.00 -1.10 0.00 0.00 60.65 59.23 2krs s ILE 59 Cb 0.20 -2.32 0.01 0.00 -1.06 0.00 0.00 42.46 39.28 2krs s ILE 59 CO 0.39 0.53 -0.22 -0.89 -0.10 0.00 0.00 174.94 174.65 2krs s THR 60 N 0.25 1.95 -0.02 2.92 2.01 -1.08 -4.77 115.64 116.91 2krs s THR 60 Ca -0.08 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.68 2krs s THR 60 Cb -0.15 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 2krs s THR 60 CO 0.05 0.53 0.96 -0.63 -0.69 0.00 0.00 174.62 174.84 2krs s ILE 61 N 0.58 4.87 0.55 1.82 1.01 -1.26 -2.59 121.20 126.19 2krs s ILE 61 Ca -0.13 2.01 -0.21 0.00 0.00 0.00 0.00 60.65 62.31 2krs s ILE 61 Cb -0.17 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 2krs s ILE 61 CO 0.04 0.14 1.27 -0.69 0.00 0.00 0.00 174.94 175.70 2krs s VAL 62 N 1.15 2.42 -1.06 2.92 1.01 -1.26 -3.09 120.40 122.50 2krs s VAL 62 Ca 0.50 0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.73 2krs s VAL 62 Cb -0.20 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.04 2krs s VAL 62 CO 0.26 -0.03 0.60 -3.20 0.00 0.00 0.00 175.10 172.73 2krs n ASN 63 N -1.18 -4.97 0.00 3.32 2.85 -1.26 -4.82 115.26 109.19 2krs n ASN 63 Ca 0.11 -0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2krs n ASN 63 Cb 0.47 -3.72 0.00 0.00 1.24 0.00 0.00 39.78 37.77 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 -3.35 1.55 -2.34 1.20 1.02 -1.18 -5.11 120.64 112.43 2krs n GLU 64 Ca -0.05 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.72 2krs n GLU 64 Cb 0.57 -0.33 -0.02 0.00 -0.02 0.00 0.00 31.44 31.64 2krs n GLU 64 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2krs s GLY 65 N -0.60 2.81 0.00 0.62 0.00 -1.25 -4.94 107.32 103.96 2krs s GLY 65 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.61 2krs s GLY 65 CO 0.00 1.37 0.88 1.44 0.00 0.00 0.00 173.10 176.79 2krs n SER 66 N -0.10 0.00 -0.21 1.64 7.64 -1.26 -4.81 113.62 116.53 2krs n SER 66 Ca 0.05 -1.77 0.14 0.00 1.01 0.00 0.00 58.87 58.30 2krs n SER 66 Cb 0.48 -0.15 0.52 0.00 -1.01 0.00 0.00 64.21 64.04 2krs n SER 66 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2krs n LEU 67 N 0.00 0.79 -4.69 -3.43 7.99 -1.26 -4.84 117.00 111.56 2krs n LEU 67 Ca 0.00 -0.16 -0.42 0.00 -0.01 0.00 0.00 56.01 55.43 2krs n LEU 67 Cb 0.65 -0.13 -0.03 0.00 -0.11 0.00 0.00 43.42 43.80 2krs n LEU 67 CO 0.00 0.14 0.66 -1.61 -1.51 0.00 0.00 177.39 175.08 2krs s GLU 68 N -2.41 4.43 -0.08 3.23 8.01 -1.26 -5.04 118.70 125.58 2krs s GLU 68 Ca 0.29 1.23 -0.01 0.00 0.01 0.00 0.00 54.97 56.49 2krs s GLU 68 Cb 0.20 -3.52 0.03 0.00 -4.31 0.00 0.00 34.13 26.53 2krs s GLU 68 CO 0.47 -0.20 0.00 -1.01 0.01 0.00 0.00 175.26 174.54 2krs s HIS 69 N 1.63 0.69 -0.07 1.61 3.76 -1.26 -4.99 115.29 116.66 2krs s HIS 69 Ca 0.45 -0.22 -0.04 0.00 -0.15 0.00 0.00 55.06 55.10 2krs s HIS 69 Cb -0.18 -0.82 0.01 0.00 1.11 0.00 0.00 32.58 32.70 2krs s HIS 69 CO 0.19 -0.35 0.07 0.72 -0.85 0.00 0.00 174.74 174.52 2krs n HIS 70 N 5.14 -1.47 -2.46 1.40 8.25 -1.26 -4.77 115.22 120.05 2krs n HIS 70 Ca -0.07 0.83 -0.42 0.00 -0.26 0.00 0.00 57.72 57.80 2krs n HIS 70 Cb 0.50 -1.97 -0.02 0.00 1.12 0.00 0.00 29.99 29.61 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 -0.35 2.46 0.14 4.41 0.09 -1.26 -4.87 115.29 115.90 2krs s HIS 71 Ca -0.08 0.53 -0.13 0.00 -0.00 0.00 0.00 55.06 55.37 2krs s HIS 71 Cb 0.01 -4.42 -0.01 0.00 -0.00 0.00 0.00 32.58 28.16 2krs s HIS 71 CO 0.26 -1.78 1.57 1.25 -0.00 0.00 0.00 174.74 176.05 2krs h HIS 72 N 10.35 0.87 -3.20 1.40 -0.00 -2.05 -3.42 115.15 119.10 2krs h HIS 72 Ca -0.26 -0.16 -0.53 0.00 -0.00 0.00 0.00 60.37 59.42 2krs h HIS 72 Cb 1.08 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 2krs h HIS 72 CO 1.02 0.86 0.55 -1.58 -0.00 0.00 0.00 177.93 178.78 2krs s HIS 73 N -4.96 3.45 0.00 5.26 5.04 -1.26 -5.32 115.29 117.51 2krs s HIS 73 Ca -0.13 1.32 0.00 0.00 -1.54 0.00 0.00 55.06 54.72 2krs s HIS 73 Cb 0.11 -3.40 0.00 0.00 0.04 0.00 0.00 32.58 29.32 2krs s HIS 73 CO 0.81 -1.21 0.00 1.58 -2.34 0.00 0.00 174.74 173.58