#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 0.01 0.50 2.12 -0.21 -1.26 -3.98 119.66 116.83 2krs s GLN 2 Ca 0.00 0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.54 2krs s GLN 2 Cb 0.00 -1.08 -0.02 0.00 1.00 0.00 0.00 33.01 32.91 2krs s GLN 2 CO 0.00 -0.49 0.78 0.20 -2.12 0.00 0.00 175.29 173.66 2krs s GLY 3 N 2.18 1.53 -0.08 3.09 0.00 -0.69 -4.38 107.32 108.96 2krs s GLY 3 Ca 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.09 2krs s GLY 3 CO -0.06 -0.50 -0.16 0.14 0.00 0.00 0.00 173.10 172.51 2krs s VAL 4 N -2.75 1.46 -0.11 1.40 1.01 -1.10 -2.56 120.40 117.76 2krs s VAL 4 Ca 0.49 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 2krs s VAL 4 Cb -0.10 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2krs s VAL 4 CO 0.43 0.43 0.69 -0.69 0.00 0.00 0.00 175.10 175.96 2krs s VAL 5 N 0.63 5.03 -0.26 2.92 1.01 -1.19 -2.02 120.40 126.51 2krs s VAL 5 Ca -0.14 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.25 2krs s VAL 5 Cb -0.16 -4.02 0.07 0.00 0.00 0.00 0.00 36.38 32.26 2krs s VAL 5 CO 0.04 0.20 -0.04 -0.54 0.00 0.00 0.00 175.10 174.77 2krs s LYS 6 N 1.17 1.65 0.02 2.72 1.02 0.12 0.50 119.74 126.94 2krs s LYS 6 Ca 0.35 -1.21 -0.01 0.00 0.02 0.00 0.00 55.97 55.13 2krs s LYS 6 Cb -0.17 -2.70 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2krs s LYS 6 CO 0.15 -0.68 -0.02 0.54 -0.92 0.00 0.00 175.35 174.42 2krs s VAL 7 N 1.27 0.12 0.19 3.17 0.11 -1.26 -4.49 120.40 119.52 2krs s VAL 7 Ca -0.03 -1.02 -0.11 0.00 -2.93 0.00 0.00 61.98 57.89 2krs s VAL 7 Cb -0.19 -0.44 0.11 0.00 -1.53 0.00 0.00 36.38 34.33 2krs s VAL 7 CO -0.08 -0.56 1.80 -0.55 -3.33 0.00 0.00 175.10 172.38 2krs h ASN 8 N 4.42 0.84 0.00 3.54 7.08 -1.99 -3.43 115.58 126.04 2krs h ASN 8 Ca -0.32 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 2krs h ASN 8 Cb 1.20 -0.21 0.00 0.00 -2.08 0.00 0.00 38.32 37.23 2krs h ASN 8 CO 0.44 0.69 0.00 -0.24 -2.08 0.00 0.00 177.43 176.25 2krs n SER 9 N -4.52 0.22 -3.61 6.14 2.88 -1.26 -5.03 113.62 108.45 2krs n SER 9 Ca 0.05 0.07 -0.15 0.00 -1.33 0.00 0.00 58.87 57.50 2krs n SER 9 Cb 0.09 -0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.61 -0.20 -1.46 0.00 -1.26 -4.25 121.76 110.98 2krs s ALA 10 Ca 0.00 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.42 2krs s ALA 10 Cb 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2krs s ALA 10 CO 0.00 -0.33 0.03 -1.17 0.00 0.00 0.00 175.76 174.29 2krs s LEU 11 N -0.40 3.45 0.31 0.00 2.96 -0.44 -4.91 118.68 119.65 2krs s LEU 11 Ca -0.05 -0.11 -0.27 0.00 -0.22 0.00 0.00 54.13 53.47 2krs s LEU 11 Cb -0.03 -1.88 -0.10 0.00 0.50 0.00 0.00 46.19 44.69 2krs s LEU 11 CO 0.05 0.09 0.95 0.20 -1.32 0.00 0.00 176.35 176.32 2krs s ASN 12 N 0.86 7.36 0.12 3.68 0.02 -1.26 0.49 114.94 126.20 2krs s ASN 12 Ca 0.02 1.88 0.06 0.00 -1.02 0.00 0.00 52.86 53.80 2krs s ASN 12 Cb -0.14 -2.59 -0.04 0.00 0.02 0.00 0.00 41.25 38.50 2krs s ASN 12 CO 0.02 -0.06 0.00 -0.32 0.02 0.00 0.00 177.10 176.77 2krs s MET 13 N -1.91 2.50 0.10 -0.60 1.75 -0.33 -4.82 119.30 115.99 2krs s MET 13 Ca 0.49 -0.92 0.07 0.00 -1.25 0.00 0.00 55.69 54.08 2krs s MET 13 Cb -0.20 -2.48 -0.03 0.00 2.84 0.00 0.00 34.83 34.95 2krs s MET 13 CO 0.26 0.51 -0.17 1.03 -0.65 0.00 0.00 175.02 176.00 2krs s ARG 14 N -2.51 1.03 0.20 4.11 0.52 -0.86 -1.72 118.95 119.71 2krs s ARG 14 Ca 0.26 -1.14 -0.10 0.00 -0.52 0.00 0.00 55.73 54.23 2krs s ARG 14 Cb -0.11 -1.12 0.12 0.00 0.52 0.00 0.00 34.95 34.37 2krs s ARG 14 CO 0.18 0.24 1.79 1.03 0.02 0.00 0.00 175.30 178.56 2krs h SER 15 N 3.93 0.92 -2.86 0.23 0.87 -1.78 0.60 113.55 115.48 2krs h SER 15 Ca -0.43 -0.13 -0.50 0.00 -1.23 0.00 0.00 61.79 59.50 2krs h SER 15 Cb 1.19 -0.24 -0.14 0.00 -0.44 0.00 0.00 62.40 62.77 2krs h SER 15 CO 0.43 0.80 -0.70 -0.83 -0.53 0.00 0.00 176.83 176.00 2krs s GLY 16 N -3.14 1.76 -0.99 5.77 0.00 -1.26 -4.18 107.32 105.28 2krs s GLY 16 Ca -0.13 -1.85 -0.24 0.00 0.00 0.00 0.00 44.72 42.50 2krs s GLY 16 CO 0.80 -1.85 2.00 2.56 0.00 0.00 0.00 173.10 176.62 2krs s PRO 17 N -3.68 2.36 0.00 2.90 0.04 -1.26 -4.63 135.00 130.73 2krs s PRO 17 Ca 0.28 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.81 2krs s PRO 17 Cb 0.02 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.47 2krs s PRO 17 CO 0.11 -3.80 0.00 0.41 0.04 0.00 0.00 177.00 173.76 2krs n GLY 18 N 6.48 3.24 0.19 0.56 0.00 -1.26 -4.98 105.19 109.42 2krs n GLY 18 Ca 0.42 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2krs n GLY 18 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2krs h SER 19 N 0.00 0.00 0.23 1.61 4.64 -1.96 -1.80 113.55 116.27 2krs h SER 19 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2krs h SER 19 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2krs h SER 19 CO 0.00 0.00 -0.01 -0.46 -0.87 0.00 0.00 176.83 175.49 2krs n ASN 20 N -2.48 0.08 -0.10 4.97 0.23 -1.26 -3.09 115.26 113.60 2krs n ASN 20 Ca 0.00 -0.68 0.13 0.00 -0.53 0.00 0.00 54.58 53.50 2krs n ASN 20 Cb 0.18 -0.11 0.32 0.00 -2.08 0.00 0.00 39.78 38.09 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 -1.06 0.00 -0.63 -2.53 4.01 -0.68 -5.06 117.16 111.21 2krs n TYR 21 Ca 0.20 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.02 2krs n TYR 21 Cb 0.18 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.43 -2.37 3.70 2.72 0.00 -1.18 -4.43 105.19 105.06 2krs n GLY 22 Ca 0.09 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.72 5.25 -0.99 1.61 0.11 -1.26 -4.01 120.40 118.39 2krs s VAL 23 Ca 0.00 0.67 0.13 0.00 -2.93 0.00 0.00 61.98 59.85 2krs s VAL 23 Cb 0.00 -3.70 -0.05 0.00 -1.53 0.00 0.00 36.38 31.10 2krs s VAL 23 CO 0.00 0.32 0.67 2.30 -3.33 0.00 0.00 175.10 175.07 2krs n ILE 24 N 3.90 0.00 -3.65 7.04 -5.35 -0.70 -5.00 119.36 115.59 2krs n ILE 24 Ca -0.10 -0.30 -0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2krs n ILE 24 Cb 0.51 1.10 -0.01 0.00 -1.74 0.00 0.00 39.64 39.51 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 -1.84 -0.36 -0.05 3.28 0.00 -1.24 -5.03 107.32 102.07 2krs s GLY 25 Ca 0.09 0.59 0.05 0.00 0.00 0.00 0.00 44.72 45.45 2krs s GLY 25 CO 0.40 0.11 -0.21 -1.59 0.00 0.00 0.00 173.10 171.82 2krs s THR 26 N -2.67 1.71 0.17 0.90 2.01 -1.26 -1.19 115.64 115.32 2krs s THR 26 Ca 0.13 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.32 2krs s THR 26 Cb 0.03 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2krs s THR 26 CO -0.02 0.48 0.09 -0.76 -0.69 0.00 0.00 174.62 173.72 2krs s LEU 27 N -0.02 3.61 0.35 4.42 1.43 0.18 -4.95 118.68 123.70 2krs s LEU 27 Ca -0.04 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 2krs s LEU 27 Cb -0.13 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 2krs s LEU 27 CO 0.03 0.07 0.33 -0.13 0.23 0.00 0.00 176.35 176.88 2krs s ARG 28 N -3.09 2.76 0.52 1.70 0.52 -1.26 -1.33 118.95 118.78 2krs s ARG 28 Ca 0.30 -1.28 -0.20 0.00 -0.52 0.00 0.00 55.73 54.02 2krs s ARG 28 Cb -0.10 -2.52 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 2krs s ARG 28 CO 0.22 0.05 1.14 0.54 0.02 0.00 0.00 175.30 177.27 2krs s ASN 29 N -4.04 5.82 -1.45 0.23 4.22 -1.26 -3.17 114.94 115.29 2krs s ASN 29 Ca 0.43 2.22 -0.04 0.00 -2.14 0.00 0.00 52.86 53.33 2krs s ASN 29 Cb -0.06 -2.59 0.02 0.00 1.28 0.00 0.00 41.25 39.90 2krs s ASN 29 CO 0.27 -1.15 0.32 -3.20 -2.04 0.00 0.00 177.10 171.30 2krs n ASN 30 N -1.09 -5.15 -4.59 3.54 2.85 0.18 -4.93 115.26 106.07 2krs n ASN 30 Ca 0.10 -0.15 -0.41 0.00 -0.11 0.00 0.00 54.58 54.02 2krs n ASN 30 Cb 0.50 -4.25 -0.06 0.00 1.24 0.00 0.00 39.78 37.21 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 -2.42 6.49 0.07 1.20 -1.08 -1.19 -4.86 116.67 114.89 2krs s ASP 31 Ca 0.19 0.35 -0.31 0.00 -0.52 0.00 0.00 52.55 52.27 2krs s ASP 31 Cb -0.09 -2.34 -0.06 0.00 -1.46 0.00 0.00 42.92 38.96 2krs s ASP 31 CO 0.23 -0.55 1.29 -0.54 0.52 0.00 0.00 175.17 176.13 2krs s LYS 32 N 2.71 4.37 0.08 4.34 -0.14 -1.26 -3.17 119.74 126.67 2krs s LYS 32 Ca 0.26 1.91 -0.01 0.00 -1.36 0.00 0.00 55.97 56.77 2krs s LYS 32 Cb -0.15 -3.33 -0.04 0.00 -1.68 0.00 0.00 37.83 32.63 2krs s LYS 32 CO 0.13 -0.37 0.01 0.14 -0.76 0.00 0.00 175.35 174.50 2krs s VAL 33 N 1.24 0.17 -0.25 3.17 -7.23 -1.06 -5.04 120.40 111.40 2krs s VAL 33 Ca 0.61 -1.83 -0.08 0.00 -1.81 0.00 0.00 61.98 58.87 2krs s VAL 33 Cb -0.32 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2krs s VAL 33 CO 0.29 -0.79 0.09 -1.61 -0.31 0.00 0.00 175.10 172.77 2krs s GLU 34 N -3.97 3.74 -0.47 4.82 2.02 -1.26 -1.71 118.70 121.87 2krs s GLU 34 Ca 0.13 -0.44 -0.21 0.00 0.02 0.00 0.00 54.97 54.48 2krs s GLU 34 Cb 0.08 -3.37 0.03 0.00 0.10 0.00 0.00 34.13 30.97 2krs s GLU 34 CO -0.06 -0.14 0.69 0.42 0.02 0.00 0.00 175.26 176.19 2krs s ILE 35 N 1.51 4.77 0.11 -1.63 1.01 -1.26 -2.71 121.20 123.00 2krs s ILE 35 Ca 0.06 -0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.55 2krs s ILE 35 Cb -0.15 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.98 2krs s ILE 35 CO 0.05 -0.73 1.51 0.40 0.00 0.00 0.00 174.94 176.17 2krs h ILE 36 N 5.90 1.28 -1.68 2.92 2.04 -1.30 -3.48 117.51 123.19 2krs h ILE 36 Ca -0.26 -1.13 0.22 0.00 1.00 0.00 0.00 64.86 64.69 2krs h ILE 36 Cb 1.09 1.33 -0.17 0.00 -0.74 0.00 0.00 36.82 38.33 2krs h ILE 36 CO 0.94 0.37 0.73 -1.59 0.00 0.00 0.00 178.15 178.60 2krs s LYS 37 N -4.78 0.45 -0.21 2.37 -2.85 -1.24 -5.04 119.74 108.44 2krs s LYS 37 Ca -0.13 -0.17 -0.06 0.00 -1.00 0.00 0.00 55.97 54.60 2krs s LYS 37 Cb 0.09 0.20 -0.03 0.00 -2.06 0.00 0.00 37.83 36.03 2krs s LYS 37 CO 0.79 -0.20 0.03 -2.00 0.10 0.00 0.00 175.35 174.08 2krs s GLU 38 N -2.60 3.69 -0.06 1.78 2.12 -1.26 -1.28 118.70 121.09 2krs s GLU 38 Ca 0.09 -0.48 0.03 0.00 0.36 0.00 0.00 54.97 54.97 2krs s GLU 38 Cb -0.01 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 31.21 2krs s GLU 38 CO -0.05 -0.00 -0.15 0.08 -0.54 0.00 0.00 175.26 174.60 2krs s VAL 39 N 1.07 1.30 -1.68 3.70 1.01 0.95 -4.73 120.40 122.03 2krs s VAL 39 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2krs s VAL 39 Cb -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2krs s VAL 39 CO 0.02 0.39 0.00 -0.67 0.00 0.00 0.00 175.10 174.84 2krs n ASP 40 N 3.53 -4.70 0.00 3.32 -0.08 -1.26 0.25 116.55 117.61 2krs n ASP 40 Ca -0.21 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2krs n ASP 40 Cb 0.52 -4.12 0.00 0.00 2.34 0.00 0.00 41.12 39.86 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 -0.55 1.58 3.87 0.27 0.00 -1.26 -5.03 105.19 104.06 2krs n GLY 41 Ca -0.18 0.00 -0.32 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 -2.52 3.45 -0.19 1.61 0.52 0.14 -4.68 118.94 117.27 2krs s TRP 42 Ca 0.00 0.87 -0.10 0.00 0.02 0.00 0.00 56.10 56.89 2krs s TRP 42 Cb 0.00 -2.25 -0.05 0.00 -1.15 0.00 0.00 33.47 30.02 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 -1.75 3.43 -0.27 -1.98 2.02 -1.18 -0.04 117.35 117.58 2krs s TYR 43 Ca 0.45 0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 57.38 2krs s TYR 43 Cb -0.12 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2krs s TYR 43 CO 0.21 0.33 0.26 -2.00 -1.57 0.00 0.00 175.55 172.78 2krs s GLU 44 N 0.24 3.98 0.21 -0.62 2.12 -0.40 -2.08 118.70 122.15 2krs s GLU 44 Ca 0.09 -0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.32 2krs s GLU 44 Cb -0.11 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 2krs s GLU 44 CO -0.01 -0.21 -0.14 0.96 -0.54 0.00 0.00 175.26 175.31 2krs s ILE 45 N 1.85 1.79 -0.13 -3.70 -4.36 -0.94 -0.74 121.20 114.98 2krs s ILE 45 Ca 0.10 -2.22 0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2krs s ILE 45 Cb -0.16 -2.08 -0.00 0.00 1.25 0.00 0.00 42.46 41.47 2krs s ILE 45 CO 0.10 -0.57 -0.19 -0.60 0.24 0.00 0.00 174.94 173.92 2krs s ARG 46 N -3.64 3.15 -0.08 0.37 3.52 -1.10 -2.00 118.95 119.17 2krs s ARG 46 Ca 0.23 -0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 54.99 2krs s ARG 46 Cb -0.01 -2.48 0.04 0.00 -1.56 0.00 0.00 34.95 30.94 2krs s ARG 46 CO 0.08 0.11 0.19 0.12 -0.81 0.00 0.00 175.30 174.98 2krs s PHE 47 N 0.56 -0.23 -1.48 5.12 5.36 0.10 -4.36 117.98 123.05 2krs s PHE 47 Ca -0.12 0.59 -0.06 0.00 -0.96 0.00 0.00 56.93 56.39 2krs s PHE 47 Cb -0.16 -0.02 0.02 0.00 -0.34 0.00 0.00 43.02 42.52 2krs s PHE 47 CO 0.04 -0.18 0.57 0.09 -1.46 0.00 0.00 175.22 174.27 2krs n ASN 48 N 4.08 -5.46 -0.12 6.13 5.03 -1.26 -1.25 115.26 122.41 2krs n ASN 48 Ca -0.24 -0.31 -0.02 0.00 0.87 0.00 0.00 54.58 54.88 2krs n ASN 48 Cb 0.53 -4.43 -0.01 0.00 -1.02 0.00 0.00 39.78 34.85 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 -1.42 0.53 3.23 7.41 0.00 -1.26 -5.03 105.19 108.64 2krs n GLY 49 Ca -0.09 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.37 1.25 -0.10 1.61 1.02 -0.38 -5.14 119.74 116.63 2krs s LYS 50 Ca 0.00 -0.92 0.02 0.00 0.02 0.00 0.00 55.97 55.09 2krs s LYS 50 Cb 0.00 -1.36 -0.01 0.00 -0.52 0.00 0.00 37.83 35.94 2krs s LYS 50 CO 0.00 0.34 -0.16 0.08 -0.92 0.00 0.00 175.35 174.69 2krs s VAL 51 N -0.84 2.81 0.00 3.17 1.01 -1.26 0.02 120.40 125.30 2krs s VAL 51 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2krs s VAL 51 Cb -0.09 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.16 2krs s VAL 51 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2krs n GLY 52 N 3.25 3.80 3.23 4.51 0.00 -0.85 -4.77 105.19 114.35 2krs n GLY 52 Ca -0.18 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.03 1.16 0.09 1.61 1.51 0.21 -2.21 117.35 116.70 2krs s TYR 53 Ca 0.00 -0.81 -0.12 0.00 -1.01 0.00 0.00 57.07 55.13 2krs s TYR 53 Cb 0.00 -0.61 0.01 0.00 -0.11 0.00 0.00 41.96 41.25 2krs s TYR 53 CO 0.00 0.01 0.28 0.00 -1.11 0.00 0.00 175.55 174.72 2krs s ALA 54 N -3.42 -0.54 0.52 3.71 0.00 -0.89 -2.02 121.76 119.12 2krs s ALA 54 Ca 0.16 -0.32 -0.20 0.00 0.00 0.00 0.00 51.96 51.59 2krs s ALA 54 Cb 0.03 0.53 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 2krs s ALA 54 CO -0.01 -0.54 1.14 -1.54 0.00 0.00 0.00 175.76 174.82 2krs s SER 55 N -2.71 5.84 0.35 0.00 1.04 -1.26 -3.10 113.70 113.85 2krs s SER 55 Ca 0.03 2.23 0.23 0.00 0.48 0.00 0.00 55.95 58.92 2krs s SER 55 Cb 0.03 -2.59 0.32 0.00 0.10 0.00 0.00 66.02 63.88 2krs s SER 55 CO -0.10 -1.14 1.49 0.07 0.98 0.00 0.00 173.24 174.54 2krs h LYS 56 N 1.45 0.00 -0.67 4.02 2.10 -1.84 -3.24 116.57 118.39 2krs h LYS 56 Ca -0.50 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.13 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 0.58 0.00 0.34 1.03 -2.00 0.00 0.00 179.45 179.40 2krs h SER 57 N 0.00 0.86 -0.19 7.07 0.87 -1.97 -2.31 113.55 117.89 2krs h SER 57 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2krs h SER 57 Cb 0.96 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2krs h SER 57 CO 0.00 0.73 0.00 -1.22 -0.53 0.00 0.00 176.83 175.81 2krs n TYR 58 N -4.49 0.23 -4.62 2.24 4.02 -1.24 -4.84 117.16 108.46 2krs n TYR 58 Ca 0.05 -0.12 -0.24 0.00 -0.01 0.00 0.00 57.90 57.58 2krs n TYR 58 Cb 0.11 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.27 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 -1.77 1.16 -0.07 -0.72 1.01 -0.87 0.14 121.20 120.08 2krs s ILE 59 Ca 0.34 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.50 2krs s ILE 59 Cb 0.19 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.62 2krs s ILE 59 CO 0.28 0.35 -0.20 -0.89 0.00 0.00 0.00 174.94 174.48 2krs s THR 60 N 0.43 1.73 -0.02 2.92 2.01 -0.86 -4.70 115.64 117.15 2krs s THR 60 Ca -0.10 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 2krs s THR 60 Cb -0.14 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2krs s THR 60 CO 0.03 0.49 0.96 -0.63 -0.69 0.00 0.00 174.62 174.78 2krs s ILE 61 N 0.25 4.87 -0.12 1.82 -1.09 -1.26 -2.71 121.20 122.96 2krs s ILE 61 Ca -0.12 2.02 -0.01 0.00 -2.23 0.00 0.00 60.65 60.31 2krs s ILE 61 Cb -0.15 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.41 2krs s ILE 61 CO 0.05 0.15 -0.10 0.68 -1.23 0.00 0.00 174.94 174.49 2krs s VAL 62 N 1.11 3.31 -0.27 2.92 -7.23 -1.26 -4.84 120.40 114.13 2krs s VAL 62 Ca 0.51 -0.58 -0.02 0.00 -1.81 0.00 0.00 61.98 60.08 2krs s VAL 62 Cb -0.20 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.35 2krs s VAL 62 CO 0.26 0.53 0.03 -3.20 -0.31 0.00 0.00 175.10 172.41 2krs n ASN 63 N 3.32 -6.53 -4.70 4.85 2.85 -1.26 -4.78 115.26 109.01 2krs n ASN 63 Ca -0.18 1.32 -0.41 0.00 -0.11 0.00 0.00 54.58 55.20 2krs n ASN 63 Cb 0.53 -4.99 0.01 0.00 1.24 0.00 0.00 39.78 36.56 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 0.78 1.97 -2.32 1.20 1.02 -1.26 -4.89 120.64 117.14 2krs n GLU 64 Ca -0.06 0.70 -0.43 0.00 -0.02 0.00 0.00 57.16 57.36 2krs n GLU 64 Cb 0.09 -2.38 -0.02 0.00 -0.02 0.00 0.00 31.44 29.11 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 -0.49 1.60 0.49 0.62 0.00 -1.26 -5.00 107.32 103.27 2krs s GLY 65 Ca 0.60 0.55 -0.20 0.00 0.00 0.00 0.00 44.72 45.67 2krs s GLY 65 CO 0.59 2.63 1.03 -0.45 0.00 0.00 0.00 173.10 176.90 2krs s SER 66 N 2.36 6.38 0.00 1.64 0.15 -1.26 -4.94 113.70 118.03 2krs s SER 66 Ca 0.59 1.89 0.29 0.00 0.70 0.00 0.00 55.95 59.42 2krs s SER 66 Cb -0.24 -2.56 1.22 0.00 -1.71 0.00 0.00 66.02 62.73 2krs s SER 66 CO 0.19 -0.76 1.86 0.18 1.20 0.00 0.00 173.24 175.91 2krs n LEU 67 N -1.00 0.35 -2.83 3.45 4.32 -1.26 -4.99 117.00 115.03 2krs n LEU 67 Ca 0.09 0.10 -0.01 0.00 -0.02 0.00 0.00 56.01 56.17 2krs n LEU 67 Cb 0.53 -0.24 -0.01 0.00 -1.62 0.00 0.00 43.42 42.08 2krs n LEU 67 CO 0.40 0.07 -0.50 1.21 -1.22 0.00 0.00 177.39 177.35 2krs n GLU 68 N -1.11 -2.85 -0.55 3.23 2.13 -1.26 -4.86 120.64 115.37 2krs n GLU 68 Ca 0.13 2.37 0.06 0.00 0.66 0.00 0.00 57.16 60.38 2krs n GLU 68 Cb 0.28 -4.10 0.27 0.00 0.27 0.00 0.00 31.44 28.16 2krs n GLU 68 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2krs n HIS 69 N 1.11 1.29 0.10 4.31 8.25 -1.26 -4.41 115.22 124.62 2krs n HIS 69 Ca -0.07 -0.47 0.05 0.00 -0.26 0.00 0.00 57.72 56.97 2krs n HIS 69 Cb 0.22 -0.30 0.25 0.00 1.12 0.00 0.00 29.99 31.27 2krs n HIS 69 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2krs n HIS 70 N 0.56 0.31 -2.45 4.41 -0.00 -1.26 -4.55 115.22 112.24 2krs n HIS 70 Ca 0.19 0.16 -0.41 0.00 -0.00 0.00 0.00 57.72 57.66 2krs n HIS 70 Cb 0.81 -0.58 -0.04 0.00 -0.00 0.00 0.00 29.99 30.18 2krs n HIS 70 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2krs s HIS 71 N -3.10 3.52 -0.05 1.57 2.46 -1.26 -5.04 115.29 113.39 2krs s HIS 71 Ca -0.01 1.56 -0.02 0.00 0.47 0.00 0.00 55.06 57.06 2krs s HIS 71 Cb 0.03 -3.34 0.04 0.00 -0.13 0.00 0.00 32.58 29.18 2krs s HIS 71 CO 0.08 -0.82 0.10 -3.38 -2.47 0.00 0.00 174.74 168.26 2krs s HIS 72 N -0.38 -0.07 -0.52 3.88 -3.43 -1.26 -5.01 115.29 108.49 2krs s HIS 72 Ca 0.49 0.38 0.24 0.00 -0.80 0.00 0.00 55.06 55.38 2krs s HIS 72 Cb -0.31 -0.26 0.34 0.00 -1.43 0.00 0.00 32.58 30.92 2krs s HIS 72 CO 0.37 -0.18 1.39 1.12 -2.00 0.00 0.00 174.74 175.44 2krs h HIS 73 N 7.84 0.00 0.00 0.38 2.07 -1.99 -3.56 115.15 119.89 2krs h HIS 73 Ca -0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 2krs h HIS 73 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2krs h HIS 73 CO 0.46 0.00 0.00 1.58 -3.07 0.00 0.00 177.93 176.90