#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 1.93 0.44 2.12 1.11 -1.26 -3.04 119.66 120.95 2krs s GLN 2 Ca 0.00 -0.79 0.05 0.00 0.01 0.00 0.00 55.36 54.62 2krs s GLN 2 Cb 0.00 -2.36 0.01 0.00 -1.01 0.00 0.00 33.01 29.65 2krs s GLN 2 CO 0.00 -0.43 0.61 0.20 0.01 0.00 0.00 175.29 175.68 2krs s GLY 3 N 1.43 1.78 -0.06 3.09 0.00 0.18 -4.17 107.32 109.56 2krs s GLY 3 Ca -0.01 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.30 2krs s GLY 3 CO -0.08 -1.26 -0.17 0.14 0.00 0.00 0.00 173.10 171.73 2krs s VAL 4 N -2.44 1.47 -0.38 1.40 1.01 -0.98 -2.07 120.40 118.41 2krs s VAL 4 Ca 0.52 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 2krs s VAL 4 Cb -0.10 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2krs s VAL 4 CO 0.35 0.43 0.59 -0.69 0.00 0.00 0.00 175.10 175.77 2krs s VAL 5 N 0.34 4.92 -0.25 2.92 1.01 -1.00 -1.70 120.40 126.65 2krs s VAL 5 Ca -0.11 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 2krs s VAL 5 Cb -0.15 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.17 2krs s VAL 5 CO 0.04 -0.35 -0.03 -0.75 0.00 0.00 0.00 175.10 174.01 2krs s LYS 6 N 2.61 3.10 0.03 2.72 2.20 0.76 -1.15 119.74 130.01 2krs s LYS 6 Ca 0.22 -0.81 -0.06 0.00 -0.36 0.00 0.00 55.97 54.95 2krs s LYS 6 Cb -0.15 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 2krs s LYS 6 CO 0.15 -0.33 0.11 0.54 -0.36 0.00 0.00 175.35 175.47 2krs s VAL 7 N 1.42 0.12 0.20 4.02 0.11 -1.26 -4.63 120.40 120.38 2krs s VAL 7 Ca 0.03 -1.01 -0.09 0.00 -2.93 0.00 0.00 61.98 57.98 2krs s VAL 7 Cb -0.16 -0.81 0.13 0.00 -1.53 0.00 0.00 36.38 34.01 2krs s VAL 7 CO -0.03 -0.56 1.76 -1.13 -3.33 0.00 0.00 175.10 171.82 2krs h ASN 8 N 3.75 1.00 0.00 3.54 -1.24 -1.99 -3.44 115.58 117.20 2krs h ASN 8 Ca -0.32 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.52 2krs h ASN 8 Cb 1.19 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.98 2krs h ASN 8 CO 0.48 0.89 0.00 -1.54 -1.29 0.00 0.00 177.43 175.98 2krs n SER 9 N -4.35 0.00 -3.70 1.15 3.41 -1.26 -5.06 113.62 103.80 2krs n SER 9 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.53 2krs n SER 9 Cb 0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 2krs n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2krs s ALA 10 N -2.00 -1.12 -0.13 7.33 0.00 -1.26 -4.15 121.76 120.43 2krs s ALA 10 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2krs s ALA 10 Cb 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2krs s ALA 10 CO 0.00 -0.25 -0.14 -1.17 0.00 0.00 0.00 175.76 174.20 2krs s LEU 11 N -0.39 2.61 0.37 0.00 2.96 -1.07 -4.95 118.68 118.21 2krs s LEU 11 Ca -0.05 -0.38 -0.25 0.00 -0.22 0.00 0.00 54.13 53.22 2krs s LEU 11 Cb -0.03 -1.59 -0.09 0.00 0.50 0.00 0.00 46.19 44.98 2krs s LEU 11 CO 0.03 0.14 1.07 0.20 -1.32 0.00 0.00 176.35 176.47 2krs s ASN 12 N 0.48 6.85 0.09 3.68 0.01 -1.26 0.20 114.94 124.99 2krs s ASN 12 Ca -0.10 2.11 0.04 0.00 -0.71 0.00 0.00 52.86 54.20 2krs s ASN 12 Cb -0.16 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 2krs s ASN 12 CO 0.05 -0.43 0.04 -0.32 -1.51 0.00 0.00 177.10 174.93 2krs s MET 13 N -2.25 2.70 0.09 -0.60 1.75 0.31 -4.87 119.30 116.43 2krs s MET 13 Ca 0.55 -0.78 0.06 0.00 -1.25 0.00 0.00 55.69 54.27 2krs s MET 13 Cb -0.25 -2.62 -0.03 0.00 2.84 0.00 0.00 34.83 34.77 2krs s MET 13 CO 0.31 0.55 -0.17 1.03 -0.65 0.00 0.00 175.02 176.09 2krs s ARG 14 N -2.39 0.95 0.33 4.11 0.52 -0.93 -2.31 118.95 119.23 2krs s ARG 14 Ca 0.28 -1.05 0.26 0.00 -0.52 0.00 0.00 55.73 54.69 2krs s ARG 14 Cb -0.12 -1.06 1.11 0.00 0.52 0.00 0.00 34.95 35.39 2krs s ARG 14 CO 0.20 0.24 1.78 1.03 0.02 0.00 0.00 175.30 178.57 2krs h SER 15 N 4.17 0.00 -1.49 0.23 0.87 -1.78 0.44 113.55 116.00 2krs h SER 15 Ca -0.43 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2krs h SER 15 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2krs h SER 15 CO 0.40 0.00 0.09 0.61 -0.53 0.00 0.00 176.83 177.40 2krs n GLY 16 N -0.10 1.65 3.42 5.77 0.00 -1.26 -4.64 105.19 110.03 2krs n GLY 16 Ca 0.01 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 3.22 0.00 1.61 -0.04 -1.26 -4.76 135.00 133.62 2krs n PRO 17 Ca -0.02 -3.35 0.00 0.00 -0.04 0.00 0.00 63.50 60.09 2krs n PRO 17 Cb 0.16 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 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 4.82 2.34 0.14 0.55 0.00 -1.26 -4.99 105.19 106.80 2krs n GLY 18 Ca 0.46 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.66 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 0.65 0.00 1.61 2.88 -1.26 -1.55 113.62 115.95 2krs n SER 19 Ca 0.00 0.70 0.15 0.00 -1.33 0.00 0.00 58.87 58.40 2krs n SER 19 Cb 0.00 -0.82 0.89 0.00 -0.75 0.00 0.00 64.21 63.52 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 -2.27 0.00 -0.36 -3.46 3.02 -1.26 -2.73 115.26 108.20 2krs n ASN 20 Ca 0.01 -0.81 0.14 0.00 -0.03 0.00 0.00 54.58 53.89 2krs n ASN 20 Cb 0.17 -0.06 0.51 0.00 -0.61 0.00 0.00 39.78 39.79 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 -1.06 0.00 -1.00 3.10 4.02 -0.60 -5.05 117.16 116.58 2krs n TYR 21 Ca 0.21 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.24 2krs n TYR 21 Cb 0.13 -0.05 -0.04 0.00 -0.02 0.00 0.00 39.34 39.37 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 1.22 -1.97 3.62 2.72 0.00 -1.10 -4.45 105.19 105.22 2krs n GLY 22 Ca 0.17 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.23 5.10 -2.26 1.61 0.11 -1.26 -4.19 120.40 117.28 2krs s VAL 23 Ca 0.00 0.09 0.22 0.00 -2.93 0.00 0.00 61.98 59.36 2krs s VAL 23 Cb 0.00 -3.37 0.05 0.00 -1.53 0.00 0.00 36.38 31.53 2krs s VAL 23 CO 0.00 0.35 1.11 2.30 -3.33 0.00 0.00 175.10 175.53 2krs n ILE 24 N 4.35 0.00 -0.73 7.04 -5.35 -0.98 -5.02 119.36 118.68 2krs n ILE 24 Ca -0.15 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 2krs n ILE 24 Cb 0.52 1.32 0.00 0.00 -1.74 0.00 0.00 39.64 39.74 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 1.36 -1.69 3.21 3.28 0.00 -1.25 -5.03 105.19 105.07 2krs n GLY 25 Ca 0.10 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.22 1.02 -0.09 2.61 -4.23 -1.26 -0.53 115.64 110.94 2krs s THR 26 Ca 0.00 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 2krs s THR 26 Cb 0.00 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 72.15 2krs s THR 26 CO 0.00 -0.71 -0.11 -0.76 -0.54 0.00 0.00 174.62 172.50 2krs s LEU 27 N -2.92 2.89 0.59 4.79 1.43 0.13 -4.87 118.68 120.72 2krs s LEU 27 Ca 0.12 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 52.94 2krs s LEU 27 Cb 0.01 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2krs s LEU 27 CO -0.01 0.27 0.96 -0.60 0.23 0.00 0.00 176.35 177.20 2krs s ARG 28 N -0.26 3.46 0.31 1.70 6.06 -1.26 -2.60 118.95 126.35 2krs s ARG 28 Ca 0.02 0.51 -0.29 0.00 -2.50 0.00 0.00 55.73 53.47 2krs s ARG 28 Cb -0.13 -2.17 -0.11 0.00 0.06 0.00 0.00 34.95 32.60 2krs s ARG 28 CO 0.03 -0.52 1.49 -0.80 -2.50 0.00 0.00 175.30 173.00 2krs s ASN 29 N -4.19 6.48 -1.45 -2.12 -0.87 -1.26 -2.32 114.94 109.22 2krs s ASN 29 Ca 0.53 2.87 -0.08 0.00 -1.57 0.00 0.00 52.86 54.61 2krs s ASN 29 Cb -0.11 -2.64 0.04 0.00 -0.02 0.00 0.00 41.25 38.52 2krs s ASN 29 CO 0.51 -0.80 0.71 -3.20 -2.57 0.00 0.00 177.10 171.74 2krs n ASN 30 N 1.60 -5.24 -4.62 -1.22 2.85 -0.30 -4.92 115.26 103.42 2krs n ASN 30 Ca 0.05 -0.43 -0.42 0.00 -0.11 0.00 0.00 54.58 53.66 2krs n ASN 30 Cb 0.39 -4.23 -0.04 0.00 1.24 0.00 0.00 39.78 37.15 2krs n ASN 30 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2krs s ASP 31 N -2.89 6.75 0.09 1.20 -1.08 -0.98 -4.83 116.67 114.93 2krs s ASP 31 Ca 0.43 0.77 -0.31 0.00 -0.52 0.00 0.00 52.55 52.92 2krs s ASP 31 Cb -0.21 -2.45 -0.07 0.00 -1.46 0.00 0.00 42.92 38.73 2krs s ASP 31 CO 0.53 -0.72 1.25 -0.54 0.52 0.00 0.00 175.17 176.20 2krs s LYS 32 N 3.22 4.41 0.10 4.34 1.02 -1.26 -2.39 119.74 129.18 2krs s LYS 32 Ca 0.37 1.86 -0.00 0.00 0.02 0.00 0.00 55.97 58.22 2krs s LYS 32 Cb -0.13 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2krs s LYS 32 CO 0.14 -0.28 -0.00 0.14 -0.92 0.00 0.00 175.35 174.43 2krs s VAL 33 N 0.91 0.30 -0.24 3.17 -7.23 -0.88 -5.00 120.40 111.44 2krs s VAL 33 Ca 0.59 -1.88 -0.08 0.00 -1.81 0.00 0.00 61.98 58.80 2krs s VAL 33 Cb -0.32 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2krs s VAL 33 CO 0.30 -0.76 0.09 -1.61 -0.31 0.00 0.00 175.10 172.82 2krs s GLU 34 N -3.95 3.81 -0.52 4.82 2.02 -1.25 -0.65 118.70 122.99 2krs s GLU 34 Ca 0.15 -0.41 -0.22 0.00 0.02 0.00 0.00 54.97 54.52 2krs s GLU 34 Cb 0.07 -3.36 0.05 0.00 0.10 0.00 0.00 34.13 30.99 2krs s GLU 34 CO -0.04 -0.05 0.77 0.42 0.02 0.00 0.00 175.26 176.38 2krs s ILE 35 N 1.27 4.65 0.10 -1.63 1.01 -1.17 -2.35 121.20 123.08 2krs s ILE 35 Ca 0.05 -0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 2krs s ILE 35 Cb -0.14 -4.39 -0.06 0.00 0.01 0.00 0.00 42.46 37.87 2krs s ILE 35 CO 0.04 -0.91 1.54 0.40 0.00 0.00 0.00 174.94 176.01 2krs h ILE 36 N 5.94 1.26 -1.48 2.92 2.04 -1.64 -3.44 117.51 123.11 2krs h ILE 36 Ca -0.27 -0.95 0.33 0.00 1.00 0.00 0.00 64.86 64.98 2krs h ILE 36 Cb 1.09 1.27 -0.12 0.00 -0.74 0.00 0.00 36.82 38.32 2krs h ILE 36 CO 1.01 0.31 0.84 -1.59 0.00 0.00 0.00 178.15 178.72 2krs s LYS 37 N -4.99 0.38 -0.17 2.37 -2.85 -1.25 -5.06 119.74 108.18 2krs s LYS 37 Ca -0.13 -0.22 -0.01 0.00 -1.00 0.00 0.00 55.97 54.61 2krs s LYS 37 Cb 0.08 0.13 -0.00 0.00 -2.06 0.00 0.00 37.83 35.98 2krs s LYS 37 CO 0.76 -0.18 -0.13 -2.00 0.10 0.00 0.00 175.35 173.91 2krs s GLU 38 N -2.37 3.26 -0.05 1.78 -6.30 -1.26 -1.42 118.70 112.33 2krs s GLU 38 Ca 0.15 -0.72 0.03 0.00 -2.50 0.00 0.00 54.97 51.94 2krs s GLU 38 Cb 0.05 -2.72 0.00 0.00 0.00 0.00 0.00 34.13 31.46 2krs s GLU 38 CO -0.04 -0.04 -0.14 0.08 0.02 0.00 0.00 175.26 175.15 2krs s VAL 39 N 0.97 1.22 -1.74 3.70 1.01 -0.43 -4.72 120.40 120.41 2krs s VAL 39 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2krs s VAL 39 Cb -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2krs s VAL 39 CO -0.02 0.37 0.00 -0.67 0.00 0.00 0.00 175.10 174.78 2krs n ASP 40 N 3.45 -4.73 0.00 3.32 -0.08 -1.26 0.27 116.55 117.53 2krs n ASP 40 Ca -0.20 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 2krs n ASP 40 Cb 0.53 -4.16 0.00 0.00 2.34 0.00 0.00 41.12 39.82 2krs n ASP 40 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2krs n GLY 41 N -0.51 1.77 3.82 0.27 0.00 -1.26 -5.02 105.19 104.27 2krs n GLY 41 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.98 3.58 -0.34 1.61 0.52 0.14 -4.40 118.94 117.07 2krs s TRP 42 Ca 0.00 1.34 -0.16 0.00 0.02 0.00 0.00 56.10 57.30 2krs s TRP 42 Cb 0.00 -2.59 -0.01 0.00 -1.15 0.00 0.00 33.47 29.72 2krs s TRP 42 CO 0.00 0.28 0.42 0.71 0.02 0.00 0.00 176.95 178.39 2krs s TYR 43 N -1.63 3.20 -0.19 -1.98 1.51 0.44 -1.32 117.35 117.39 2krs s TYR 43 Ca 0.45 0.06 -0.26 0.00 -1.01 0.00 0.00 57.07 56.32 2krs s TYR 43 Cb -0.15 -2.77 -0.01 0.00 -0.11 0.00 0.00 41.96 38.92 2krs s TYR 43 CO 0.20 -0.47 0.87 -2.00 -1.11 0.00 0.00 175.55 173.04 2krs s GLU 44 N 2.16 4.28 0.21 -0.62 2.12 -0.51 -0.79 118.70 125.55 2krs s GLU 44 Ca 0.15 1.07 0.06 0.00 0.36 0.00 0.00 54.97 56.60 2krs s GLU 44 Cb -0.16 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 2krs s GLU 44 CO 0.12 -0.40 -0.08 0.96 -0.54 0.00 0.00 175.26 175.32 2krs s ILE 45 N 2.42 1.40 -0.08 -3.70 -4.36 -0.94 -1.63 121.20 114.30 2krs s ILE 45 Ca 0.39 -2.11 0.03 0.00 -0.26 0.00 0.00 60.65 58.70 2krs s ILE 45 Cb -0.16 -2.16 0.01 0.00 1.25 0.00 0.00 42.46 41.40 2krs s ILE 45 CO 0.11 -0.50 -0.18 -0.60 0.24 0.00 0.00 174.94 174.01 2krs s ARG 46 N -3.74 2.33 -0.14 0.37 3.52 -0.99 -1.82 118.95 118.47 2krs s ARG 46 Ca 0.24 -0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 55.12 2krs s ARG 46 Cb 0.03 -1.82 0.05 0.00 -1.56 0.00 0.00 34.95 31.64 2krs s ARG 46 CO 0.07 0.10 0.34 0.12 -0.81 0.00 0.00 175.30 175.12 2krs s PHE 47 N 0.51 -0.46 -1.46 5.12 5.36 0.10 -3.93 117.98 123.23 2krs s PHE 47 Ca -0.17 1.04 -0.07 0.00 -0.96 0.00 0.00 56.93 56.77 2krs s PHE 47 Cb -0.17 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.71 2krs s PHE 47 CO 0.06 -0.27 0.66 -1.71 -1.46 0.00 0.00 175.22 172.50 2krs n ASN 48 N 3.88 -5.29 -0.53 6.13 5.15 -1.26 0.08 115.26 123.42 2krs n ASN 48 Ca -0.21 -0.39 -0.07 0.00 -0.60 0.00 0.00 54.58 53.31 2krs n ASN 48 Cb 0.55 -4.28 -0.03 0.00 -0.53 0.00 0.00 39.78 35.49 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 -1.48 0.87 3.37 8.20 0.00 -1.26 -4.99 105.19 109.90 2krs n GLY 49 Ca -0.06 -0.35 -0.32 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 -2.25 2.84 -0.15 1.61 2.47 0.11 -5.12 119.74 119.26 2krs s LYS 50 Ca 0.00 -0.76 -0.03 0.00 -1.56 0.00 0.00 55.97 53.61 2krs s LYS 50 Cb 0.00 -2.39 -0.03 0.00 -1.46 0.00 0.00 37.83 33.95 2krs s LYS 50 CO 0.00 0.39 -0.03 0.08 0.16 0.00 0.00 175.35 175.95 2krs s VAL 51 N -0.15 3.93 0.00 4.02 1.01 -1.26 0.02 120.40 127.97 2krs s VAL 51 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2krs s VAL 51 Cb -0.14 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2krs s VAL 51 CO 0.04 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2krs n GLY 52 N 3.36 3.98 3.09 4.51 0.00 -0.76 -4.90 105.19 114.47 2krs n GLY 52 Ca -0.17 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.57 0.62 0.13 1.61 1.51 0.15 -2.22 117.35 117.59 2krs s TYR 53 Ca 0.00 -0.79 -0.16 0.00 -1.01 0.00 0.00 57.07 55.11 2krs s TYR 53 Cb 0.00 -0.40 0.04 0.00 -0.11 0.00 0.00 41.96 41.49 2krs s TYR 53 CO 0.00 -0.20 0.42 0.00 -1.11 0.00 0.00 175.55 174.66 2krs s ALA 54 N -2.79 -0.96 0.64 3.71 0.00 0.03 -2.20 121.76 120.19 2krs s ALA 54 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 2krs s ALA 54 Cb -0.00 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2krs s ALA 54 CO -0.04 -0.66 1.21 -1.54 0.00 0.00 0.00 175.76 174.72 2krs s SER 55 N -2.81 4.86 0.13 0.00 1.04 -1.26 -0.42 113.70 115.23 2krs s SER 55 Ca 0.03 2.36 0.13 0.00 0.48 0.00 0.00 55.95 58.96 2krs s SER 55 Cb 0.01 -2.59 -0.11 0.00 0.10 0.00 0.00 66.02 63.43 2krs s SER 55 CO -0.11 -1.82 1.10 0.07 0.98 0.00 0.00 173.24 173.46 2krs h LYS 56 N 0.45 0.00 -0.81 4.02 2.10 -1.87 -3.31 116.57 117.15 2krs h LYS 56 Ca -0.49 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.13 2krs h LYS 56 Cb 1.30 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.59 2krs h LYS 56 CO 0.53 0.55 0.40 1.03 -2.00 0.00 0.00 179.45 179.96 2krs h SER 57 N 0.00 1.05 -0.05 7.07 0.87 -1.93 -1.74 113.55 118.81 2krs h SER 57 Ca -0.10 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2krs h SER 57 Cb 1.63 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2krs h SER 57 CO 0.08 0.88 0.00 -1.22 -0.53 0.00 0.00 176.83 176.04 2krs n TYR 58 N -4.35 0.06 -4.87 2.24 4.02 -1.25 -4.75 117.16 108.26 2krs n TYR 58 Ca 0.08 -0.03 -0.28 0.00 -0.01 0.00 0.00 57.90 57.65 2krs n TYR 58 Cb 0.13 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.28 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 -1.94 1.59 -0.13 -0.72 1.01 -0.65 -0.17 121.20 120.19 2krs s ILE 59 Ca 0.35 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2krs s ILE 59 Cb 0.18 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 2krs s ILE 59 CO 0.29 0.46 -0.15 -0.89 0.00 0.00 0.00 174.94 174.64 2krs s THR 60 N 0.54 2.80 -0.15 2.92 2.01 -0.69 -4.81 115.64 118.27 2krs s THR 60 Ca -0.16 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 60.84 2krs s THR 60 Cb -0.17 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 2krs s THR 60 CO 0.06 0.52 0.87 -0.63 -0.69 0.00 0.00 174.62 174.75 2krs s ILE 61 N 0.51 4.86 0.01 1.82 1.01 -1.26 -2.33 121.20 125.82 2krs s ILE 61 Ca -0.10 1.73 -0.19 0.00 0.00 0.00 0.00 60.65 62.09 2krs s ILE 61 Cb -0.16 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 2krs s ILE 61 CO 0.04 0.03 0.55 0.68 0.00 0.00 0.00 174.94 176.24 2krs s VAL 62 N 2.05 4.90 0.03 2.92 -7.23 -1.26 -5.01 120.40 116.81 2krs s VAL 62 Ca 0.41 1.14 -0.35 0.00 -1.81 0.00 0.00 61.98 61.37 2krs s VAL 62 Cb -0.17 -3.87 -0.14 0.00 0.56 0.00 0.00 36.38 32.76 2krs s VAL 62 CO 0.14 0.48 1.66 -0.46 -0.31 0.00 0.00 175.10 176.61 2krs n ASN 63 N 2.37 2.94 -0.17 4.85 0.23 -1.26 -4.87 115.26 119.35 2krs n ASN 63 Ca -0.09 1.05 -0.11 0.00 -0.53 0.00 0.00 54.58 54.90 2krs n ASN 63 Cb 0.51 -1.35 0.00 0.00 -2.08 0.00 0.00 39.78 36.87 2krs n ASN 63 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2krs h GLU 64 N 6.94 0.96 0.00 -3.83 4.39 -1.97 -3.48 114.58 117.60 2krs h GLU 64 Ca -0.47 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 58.87 2krs h GLU 64 Cb 1.28 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2krs h GLU 64 CO 0.90 1.03 0.00 0.41 -1.16 0.00 0.00 179.01 180.19 2krs n GLY 65 N -0.24 2.60 3.17 -3.84 0.00 -1.26 -4.95 105.19 100.67 2krs n GLY 65 Ca 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 0.17 -6.63 -0.18 1.61 2.88 -1.26 -4.85 113.62 105.35 2krs n SER 66 Ca 0.00 0.46 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 2krs n SER 66 Cb 0.00 -1.96 0.47 0.00 -0.75 0.00 0.00 64.21 61.96 2krs n SER 66 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2krs n LEU 67 N 1.11 0.78 -4.77 2.46 7.99 -1.26 -4.90 117.00 118.41 2krs n LEU 67 Ca -0.01 -0.14 -0.41 0.00 -0.01 0.00 0.00 56.01 55.45 2krs n LEU 67 Cb 0.47 -0.16 -0.02 0.00 -0.11 0.00 0.00 43.42 43.60 2krs n LEU 67 CO 0.09 0.15 0.98 -0.70 -1.51 0.00 0.00 177.39 176.39 2krs s GLU 68 N -2.52 4.36 0.64 3.23 2.12 -1.26 -5.01 118.70 120.26 2krs s GLU 68 Ca 0.25 2.21 -0.09 0.00 0.36 0.00 0.00 54.97 57.70 2krs s GLU 68 Cb 0.19 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.51 2krs s GLU 68 CO 0.51 -0.19 1.00 -1.01 -0.54 0.00 0.00 175.26 175.03 2krs s HIS 69 N -1.06 3.35 0.21 5.30 3.76 -1.26 -4.98 115.29 120.60 2krs s HIS 69 Ca 0.49 0.92 -0.11 0.00 -0.15 0.00 0.00 55.06 56.22 2krs s HIS 69 Cb -0.40 -2.86 0.16 0.00 1.11 0.00 0.00 32.58 30.59 2krs s HIS 69 CO 0.52 -0.94 1.87 1.25 -0.85 0.00 0.00 174.74 176.59 2krs h HIS 70 N -0.39 0.89 -3.23 1.40 2.76 -2.01 -3.40 115.15 111.17 2krs h HIS 70 Ca -0.45 0.02 -0.57 0.00 -2.20 0.00 0.00 60.37 57.18 2krs h HIS 70 Cb 1.24 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.86 2krs h HIS 70 CO 0.52 0.55 0.58 -1.58 -1.30 0.00 0.00 177.93 176.69 2krs s HIS 71 N -6.13 3.47 -0.22 5.26 5.65 -1.26 -5.02 115.29 117.04 2krs s HIS 71 Ca -0.13 1.52 -0.18 0.00 0.25 0.00 0.00 55.06 56.52 2krs s HIS 71 Cb 0.15 -3.17 -0.03 0.00 -1.18 0.00 0.00 32.58 28.34 2krs s HIS 71 CO 0.77 -0.27 0.49 -1.58 -0.65 0.00 0.00 174.74 173.50 2krs s HIS 72 N 2.24 3.34 -0.29 3.88 2.46 -1.26 -5.03 115.29 120.63 2krs s HIS 72 Ca 0.46 0.70 -0.16 0.00 0.47 0.00 0.00 55.06 56.53 2krs s HIS 72 Cb -0.17 -2.65 0.13 0.00 -0.13 0.00 0.00 32.58 29.75 2krs s HIS 72 CO 0.15 -0.13 0.88 -1.58 -2.47 0.00 0.00 174.74 171.59 2krs s HIS 73 N 1.76 -0.74 -2.53 3.88 5.65 -1.26 -5.21 115.29 116.84 2krs s HIS 73 Ca 0.22 1.46 0.28 0.00 0.25 0.00 0.00 55.06 57.27 2krs s HIS 73 Cb -0.15 0.44 1.00 0.00 -1.18 0.00 0.00 32.58 32.68 2krs s HIS 73 CO 0.09 -0.37 1.71 1.58 -0.65 0.00 0.00 174.74 177.11