#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 2.38 0.30 2.12 -0.21 -1.26 -3.79 119.66 119.19 2krs s GLN 2 Ca 0.00 -0.64 -0.02 0.00 0.02 0.00 0.00 55.36 54.72 2krs s GLN 2 Cb 0.00 -1.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.10 2krs s GLN 2 CO 0.00 0.09 0.52 0.20 -2.12 0.00 0.00 175.29 173.98 2krs s GLY 3 N 0.54 1.64 -0.08 3.09 0.00 -0.76 -4.17 107.32 107.59 2krs s GLY 3 Ca -0.16 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 43.84 2krs s GLY 3 CO 0.06 -0.67 -0.18 0.14 0.00 0.00 0.00 173.10 172.44 2krs s VAL 4 N -2.14 1.57 -0.08 1.40 1.01 -1.09 -1.86 120.40 119.22 2krs s VAL 4 Ca 0.41 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 2krs s VAL 4 Cb -0.10 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2krs s VAL 4 CO 0.32 0.45 0.73 -0.69 0.00 0.00 0.00 175.10 175.91 2krs s VAL 5 N 0.41 5.02 -0.25 2.92 1.01 -1.07 -2.01 120.40 126.43 2krs s VAL 5 Ca -0.14 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 2krs s VAL 5 Cb -0.16 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.23 2krs s VAL 5 CO 0.06 0.21 0.03 -0.54 0.00 0.00 0.00 175.10 174.86 2krs s LYS 6 N 1.01 0.96 -0.00 2.72 1.02 -0.01 0.16 119.74 125.60 2krs s LYS 6 Ca 0.38 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 2krs s LYS 6 Cb -0.18 -2.24 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2krs s LYS 6 CO 0.18 -0.76 0.02 0.54 -0.92 0.00 0.00 175.35 174.41 2krs s VAL 7 N 1.62 0.03 0.20 3.17 0.11 -1.26 -4.53 120.40 119.74 2krs s VAL 7 Ca 0.02 -0.24 -0.09 0.00 -2.93 0.00 0.00 61.98 58.74 2krs s VAL 7 Cb -0.18 -0.12 0.13 0.00 -1.53 0.00 0.00 36.38 34.69 2krs s VAL 7 CO -0.13 -0.13 1.76 -0.55 -3.33 0.00 0.00 175.10 172.71 2krs h ASN 8 N 5.68 1.02 0.00 3.54 7.08 -1.99 -3.41 115.58 127.51 2krs h ASN 8 Ca -0.26 -0.18 0.00 0.00 -3.08 0.00 0.00 56.30 52.78 2krs h ASN 8 Cb 1.21 -0.27 0.00 0.00 -2.08 0.00 0.00 38.32 37.18 2krs h ASN 8 CO 0.47 0.92 0.00 -1.20 -2.08 0.00 0.00 177.43 175.54 2krs n SER 9 N -4.33 0.00 -4.85 6.14 7.64 -1.26 -5.04 113.62 111.92 2krs n SER 9 Ca 0.06 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.59 2krs n SER 9 Cb 0.18 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 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 -2.12 3.64 -0.14 -0.43 0.00 -1.26 -4.50 121.76 116.96 2krs s ALA 10 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 2krs s ALA 10 Cb 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 2krs s ALA 10 CO 0.00 0.50 -0.07 -1.17 0.00 0.00 0.00 175.76 175.02 2krs s LEU 11 N -1.82 3.06 0.02 0.00 2.96 0.41 -4.95 118.68 118.36 2krs s LEU 11 Ca 0.34 -0.20 -0.24 0.00 -0.22 0.00 0.00 54.13 53.81 2krs s LEU 11 Cb -0.15 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2krs s LEU 11 CO 0.18 0.17 0.75 0.20 -1.32 0.00 0.00 176.35 176.33 2krs s ASN 12 N 0.33 7.16 -0.08 3.68 0.01 -1.26 0.71 114.94 125.49 2krs s ASN 12 Ca -0.06 1.39 -0.05 0.00 -0.71 0.00 0.00 52.86 53.42 2krs s ASN 12 Cb -0.15 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 2krs s ASN 12 CO 0.04 -0.01 0.14 -0.32 -1.51 0.00 0.00 177.10 175.44 2krs s MET 13 N 0.12 3.39 0.21 -0.60 1.75 -0.82 -4.72 119.30 118.62 2krs s MET 13 Ca 0.38 -0.23 0.11 0.00 -1.25 0.00 0.00 55.69 54.70 2krs s MET 13 Cb -0.20 -3.12 -0.04 0.00 2.84 0.00 0.00 34.83 34.31 2krs s MET 13 CO 0.22 0.74 -0.17 1.03 -0.65 0.00 0.00 175.02 176.18 2krs s ARG 14 N -1.34 1.76 0.08 4.11 0.52 -0.57 -1.70 118.95 121.83 2krs s ARG 14 Ca 0.19 -1.47 0.26 0.00 -0.52 0.00 0.00 55.73 54.19 2krs s ARG 14 Cb -0.12 -1.96 1.01 0.00 0.52 0.00 0.00 34.95 34.40 2krs s ARG 14 CO 0.09 0.40 1.80 -1.13 0.02 0.00 0.00 175.30 176.48 2krs n SER 15 N 0.00 0.30 -1.60 0.23 3.41 -1.26 0.23 113.62 114.93 2krs n SER 15 Ca -0.11 0.54 -0.02 0.00 -0.26 0.00 0.00 58.87 59.02 2krs n SER 15 Cb 0.57 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.10 1.48 3.31 5.00 0.00 -1.26 -4.38 105.19 110.44 2krs n GLY 16 Ca 0.06 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.18 3.22 0.00 1.61 -0.04 -1.26 -4.76 135.00 133.58 2krs n PRO 17 Ca -0.02 -3.31 0.00 0.00 -0.04 0.00 0.00 63.50 60.13 2krs n PRO 17 Cb 0.18 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.35 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 4.56 2.45 0.23 0.55 0.00 -1.26 -4.99 105.19 106.73 2krs n GLY 18 Ca 0.46 0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.71 2krs n GLY 18 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2krs h SER 19 N 0.00 0.00 -0.56 1.61 0.87 -1.95 -2.65 113.55 110.87 2krs h SER 19 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2krs h SER 19 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2krs h SER 19 CO 0.00 0.00 0.33 -0.55 -0.53 0.00 0.00 176.83 176.08 2krs h ASN 20 N 0.00 0.70 -0.59 6.23 -1.07 -1.97 -1.42 115.58 117.46 2krs h ASN 20 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 56.30 56.30 2krs h ASN 20 Cb 0.25 -0.18 -0.03 0.00 -2.07 0.00 0.00 38.32 36.30 2krs h ASN 20 CO 0.00 0.55 0.28 1.88 0.07 0.00 0.00 177.43 180.22 2krs h TYR 21 N 0.80 0.87 0.00 4.14 0.05 -1.85 -3.49 116.97 117.50 2krs h TYR 21 Ca 0.21 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.95 2krs h TYR 21 Cb -0.00 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.46 2krs h TYR 21 CO 0.00 0.65 0.00 0.41 -1.05 0.00 0.00 178.16 178.17 2krs n GLY 22 N -1.12 -0.42 3.70 3.88 0.00 -0.54 -4.90 105.19 105.80 2krs n GLY 22 Ca 0.06 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.63 5.03 -1.67 1.61 0.11 -1.26 -4.17 120.40 118.42 2krs s VAL 23 Ca 0.00 1.38 0.18 0.00 -2.93 0.00 0.00 61.98 60.61 2krs s VAL 23 Cb 0.00 -4.02 0.01 0.00 -1.53 0.00 0.00 36.38 30.84 2krs s VAL 23 CO 0.00 0.21 0.92 2.30 -3.33 0.00 0.00 175.10 175.20 2krs n ILE 24 N 4.04 0.00 -3.95 7.04 -5.35 -0.69 -5.00 119.36 115.45 2krs n ILE 24 Ca -0.01 -0.33 0.02 0.00 -0.27 0.00 0.00 62.75 62.16 2krs n ILE 24 Cb 0.51 1.22 0.01 0.00 -1.74 0.00 0.00 39.64 39.64 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 1.20 0.37 3.14 3.28 0.00 -1.25 -5.04 105.19 106.89 2krs n GLY 25 Ca 0.08 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.06 0.95 0.07 2.61 -4.23 -1.26 -1.95 115.64 109.76 2krs s THR 26 Ca 0.21 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.52 2krs s THR 26 Cb -0.01 -0.96 -0.03 0.00 1.34 0.00 0.00 72.50 72.85 2krs s THR 26 CO -0.00 -0.28 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.88 2krs s LEU 27 N -1.73 2.25 0.29 4.79 1.43 0.22 -4.90 118.68 121.03 2krs s LEU 27 Ca -0.04 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.56 2krs s LEU 27 Cb -0.10 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 2krs s LEU 27 CO 0.02 -0.01 0.22 -0.13 0.23 0.00 0.00 176.35 176.68 2krs s ARG 28 N -1.58 2.75 1.07 1.70 0.52 -1.26 -0.44 118.95 121.71 2krs s ARG 28 Ca 0.01 -1.22 -0.14 0.00 -0.52 0.00 0.00 55.73 53.86 2krs s ARG 28 Cb -0.09 -2.47 0.23 0.00 0.52 0.00 0.00 34.95 33.14 2krs s ARG 28 CO 0.02 0.25 1.09 0.54 0.02 0.00 0.00 175.30 177.23 2krs s ASN 29 N -3.89 1.99 0.00 0.23 2.20 -1.26 -3.23 114.94 110.98 2krs s ASN 29 Ca 0.36 1.04 0.00 0.00 -0.94 0.00 0.00 52.86 53.32 2krs s ASN 29 Cb -0.06 -1.60 0.00 0.00 -2.00 0.00 0.00 41.25 37.58 2krs s ASN 29 CO 0.25 -3.51 0.00 0.59 -2.94 0.00 0.00 177.10 171.49 2krs n ASN 30 N -4.40 -5.06 -4.62 3.54 3.02 0.12 -4.90 115.26 102.96 2krs n ASN 30 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 2krs n ASN 30 Cb 0.58 -3.17 -0.04 0.00 -0.61 0.00 0.00 39.78 36.53 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 -1.83 6.71 0.15 6.41 2.15 -1.20 -4.89 116.67 124.17 2krs s ASP 31 Ca 0.00 0.71 -0.30 0.00 0.43 0.00 0.00 52.55 53.39 2krs s ASP 31 Cb 0.00 -2.44 -0.07 0.00 -0.30 0.00 0.00 42.92 40.11 2krs s ASP 31 CO 0.00 -0.70 1.06 -0.54 -0.17 0.00 0.00 175.17 174.82 2krs s LYS 32 N 3.15 4.62 0.08 4.34 1.02 -1.26 -2.60 119.74 129.09 2krs s LYS 32 Ca 0.35 1.63 0.00 0.00 0.02 0.00 0.00 55.97 57.98 2krs s LYS 32 Cb -0.13 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 2krs s LYS 32 CO 0.14 0.11 -0.05 0.14 -0.92 0.00 0.00 175.35 174.77 2krs s VAL 33 N -0.10 0.47 -0.28 3.17 -7.23 -0.78 -5.02 120.40 110.64 2krs s VAL 33 Ca 0.49 -1.86 -0.09 0.00 -1.81 0.00 0.00 61.98 58.71 2krs s VAL 33 Cb -0.27 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 2krs s VAL 33 CO 0.33 -0.93 0.13 -0.70 -0.31 0.00 0.00 175.10 173.62 2krs s GLU 34 N -3.84 3.55 -0.17 4.82 2.12 -1.26 -1.82 118.70 122.09 2krs s GLU 34 Ca 0.09 -0.57 -0.19 0.00 0.36 0.00 0.00 54.97 54.66 2krs s GLU 34 Cb 0.06 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 2krs s GLU 34 CO -0.07 -0.29 0.55 0.42 -0.54 0.00 0.00 175.26 175.32 2krs s ILE 35 N 1.63 5.10 -0.17 -3.70 1.01 -1.25 -2.67 121.20 121.16 2krs s ILE 35 Ca 0.06 1.05 -0.06 0.00 0.00 0.00 0.00 60.65 61.69 2krs s ILE 35 Cb -0.16 -3.88 -0.23 0.00 0.01 0.00 0.00 42.46 38.20 2krs s ILE 35 CO 0.06 0.20 0.18 -0.38 0.00 0.00 0.00 174.94 175.00 2krs n ILE 36 N 4.33 1.68 -3.56 2.92 -0.00 -0.30 -4.83 119.36 119.59 2krs n ILE 36 Ca -0.04 -0.58 -0.06 0.00 -0.00 0.00 0.00 62.75 62.07 2krs n ILE 36 Cb 0.51 -1.69 -0.02 0.00 -0.00 0.00 0.00 39.64 38.43 2krs n ILE 36 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 2krs s LYS 37 N -2.53 0.51 -0.18 0.38 -2.85 -1.25 -5.03 119.74 108.79 2krs s LYS 37 Ca -0.27 -0.16 -0.02 0.00 -1.00 0.00 0.00 55.97 54.52 2krs s LYS 37 Cb 0.07 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 36.07 2krs s LYS 37 CO 0.70 -0.22 -0.08 -2.00 0.10 0.00 0.00 175.35 173.86 2krs s GLU 38 N -2.53 3.41 -0.05 1.78 2.12 -1.26 -0.60 118.70 121.57 2krs s GLU 38 Ca 0.07 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 54.79 2krs s GLU 38 Cb -0.01 -2.84 0.01 0.00 0.26 0.00 0.00 34.13 31.54 2krs s GLU 38 CO -0.06 0.01 -0.14 0.08 -0.54 0.00 0.00 175.26 174.62 2krs s VAL 39 N 0.90 1.21 -1.68 3.70 1.01 0.92 -4.74 120.40 121.73 2krs s VAL 39 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2krs s VAL 39 Cb -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2krs s VAL 39 CO 0.00 0.36 0.00 -0.67 0.00 0.00 0.00 175.10 174.80 2krs n ASP 40 N 3.50 -4.94 0.00 3.32 -0.08 -1.26 0.14 116.55 117.23 2krs n ASP 40 Ca -0.20 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2krs n ASP 40 Cb 0.53 -4.27 0.00 0.00 2.34 0.00 0.00 41.12 39.72 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 -0.66 1.77 3.82 0.27 0.00 -1.26 -5.03 105.19 104.11 2krs n GLY 41 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.62 3.75 -0.13 1.61 0.52 0.12 -4.45 118.94 117.73 2krs s TRP 42 Ca 0.00 1.22 -0.14 0.00 0.02 0.00 0.00 56.10 57.20 2krs s TRP 42 Cb 0.00 -2.47 -0.05 0.00 -1.15 0.00 0.00 33.47 29.81 2krs s TRP 42 CO 0.00 0.54 0.33 0.71 0.02 0.00 0.00 176.95 178.54 2krs s TYR 43 N -1.22 3.51 -0.27 -1.98 2.02 -1.13 -0.05 117.35 118.23 2krs s TYR 43 Ca 0.32 0.68 -0.18 0.00 -0.37 0.00 0.00 57.07 57.52 2krs s TYR 43 Cb -0.18 -2.35 -0.02 0.00 -0.40 0.00 0.00 41.96 39.01 2krs s TYR 43 CO 0.19 0.30 0.53 -2.00 -1.57 0.00 0.00 175.55 173.00 2krs s GLU 44 N 0.23 4.04 0.19 -0.62 -6.30 0.23 -1.99 118.70 114.48 2krs s GLU 44 Ca 0.19 0.32 0.08 0.00 -2.50 0.00 0.00 54.97 53.06 2krs s GLU 44 Cb -0.14 -3.66 -0.04 0.00 0.00 0.00 0.00 34.13 30.29 2krs s GLU 44 CO 0.06 -0.38 -0.16 0.96 0.02 0.00 0.00 175.26 175.76 2krs s ILE 45 N 2.35 1.77 -0.16 -3.70 -4.36 -0.83 -1.16 121.20 115.12 2krs s ILE 45 Ca 0.22 -2.08 -0.00 0.00 -0.26 0.00 0.00 60.65 58.53 2krs s ILE 45 Cb -0.16 -1.94 -0.00 0.00 1.25 0.00 0.00 42.46 41.61 2krs s ILE 45 CO 0.09 -0.47 -0.14 -0.60 0.24 0.00 0.00 174.94 174.06 2krs s ARG 46 N -3.25 3.24 -0.04 0.37 3.52 -1.09 -2.53 118.95 119.16 2krs s ARG 46 Ca 0.19 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 55.04 2krs s ARG 46 Cb -0.03 -2.67 0.03 0.00 -1.56 0.00 0.00 34.95 30.72 2krs s ARG 46 CO 0.07 -0.00 0.08 0.12 -0.81 0.00 0.00 175.30 174.76 2krs s PHE 47 N 0.87 -0.07 -1.80 5.12 5.36 -0.54 -4.36 117.98 122.57 2krs s PHE 47 Ca -0.04 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 2krs s PHE 47 Cb -0.15 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.42 2krs s PHE 47 CO -0.01 -0.10 0.00 -1.71 -1.46 0.00 0.00 175.22 171.94 2krs n ASN 48 N 3.88 -5.62 0.00 6.13 5.15 -1.26 -0.37 115.26 123.17 2krs n ASN 48 Ca -0.23 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 2krs n ASN 48 Cb 0.53 -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 -0.91 0.39 3.88 8.20 0.00 -1.26 -5.00 105.19 110.49 2krs n GLY 49 Ca -0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.56 3.18 -0.11 1.61 2.20 0.50 -5.12 119.74 121.44 2krs s LYS 50 Ca 0.00 -0.79 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 2krs s LYS 50 Cb 0.00 -2.78 -0.01 0.00 -1.51 0.00 0.00 37.83 33.52 2krs s LYS 50 CO 0.00 0.47 -0.17 0.08 -0.36 0.00 0.00 175.35 175.38 2krs s VAL 51 N -1.85 2.75 0.02 4.02 1.01 -1.26 -1.46 120.40 123.62 2krs s VAL 51 Ca 0.33 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2krs s VAL 51 Cb -0.10 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2krs s VAL 51 CO 0.26 0.54 0.04 0.61 0.00 0.00 0.00 175.10 176.55 2krs n GLY 52 N 3.38 1.87 3.31 4.51 0.00 -1.05 -4.94 105.19 112.27 2krs n GLY 52 Ca -0.18 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 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 -8.37 1.49 0.04 1.61 1.51 0.14 -1.96 117.35 111.80 2krs s TYR 53 Ca 0.01 -0.80 -0.09 0.00 -1.01 0.00 0.00 57.07 55.18 2krs s TYR 53 Cb -0.00 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 2krs s TYR 53 CO 0.00 0.08 0.20 0.00 -1.11 0.00 0.00 175.55 174.72 2krs s ALA 54 N -3.30 -0.38 0.41 3.71 0.00 -0.84 -1.51 121.76 119.87 2krs s ALA 54 Ca 0.23 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.69 2krs s ALA 54 Cb 0.03 0.26 -0.08 0.00 0.00 0.00 0.00 23.12 23.33 2krs s ALA 54 CO 0.05 -0.35 1.28 -1.12 0.00 0.00 0.00 175.76 175.63 2krs s SER 55 N -2.01 6.28 0.42 0.00 0.01 -1.26 -2.84 113.70 114.29 2krs s SER 55 Ca -0.06 2.60 0.23 0.00 1.31 0.00 0.00 55.95 60.04 2krs s SER 55 Cb -0.02 -2.63 0.40 0.00 0.21 0.00 0.00 66.02 63.98 2krs s SER 55 CO -0.03 -0.87 1.63 0.07 0.41 0.00 0.00 173.24 174.45 2krs h LYS 56 N 2.58 0.00 -0.71 12.44 2.10 -1.87 -3.27 116.57 127.84 2krs h LYS 56 Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 2krs h LYS 56 Cb 1.25 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 2krs h LYS 56 CO 0.62 0.00 0.39 1.03 -2.00 0.00 0.00 179.45 179.49 2krs h SER 57 N 0.00 0.89 -0.21 7.07 0.87 -1.94 -2.40 113.55 117.83 2krs h SER 57 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2krs h SER 57 Cb 0.97 -0.23 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 -4.48 0.26 -5.07 2.24 4.01 -1.24 -4.85 117.16 108.03 2krs n TYR 58 Ca 0.06 -0.13 -0.30 0.00 -0.16 0.00 0.00 57.90 57.37 2krs n TYR 58 Cb 0.09 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.74 1.82 -0.07 -0.72 1.01 -0.91 -0.83 121.20 119.77 2krs s ILE 59 Ca 0.34 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.14 2krs s ILE 59 Cb 0.19 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 2krs s ILE 59 CO 0.28 0.51 -0.25 -0.89 0.00 0.00 0.00 174.94 174.59 2krs s THR 60 N 0.22 2.04 0.09 2.92 2.01 -0.85 -4.80 115.64 117.27 2krs s THR 60 Ca -0.12 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 2krs s THR 60 Cb -0.16 -1.73 -0.06 0.00 0.01 0.00 0.00 72.50 70.57 2krs s THR 60 CO 0.06 0.56 1.07 -0.63 -0.69 0.00 0.00 174.62 174.99 2krs s ILE 61 N -0.04 4.27 0.06 1.82 -1.09 -1.26 -2.68 121.20 122.28 2krs s ILE 61 Ca -0.07 1.77 -0.31 0.00 -2.23 0.00 0.00 60.65 59.82 2krs s ILE 61 Cb -0.15 -4.13 -0.06 0.00 -1.58 0.00 0.00 42.46 36.54 2krs s ILE 61 CO 0.05 0.22 1.26 -0.69 -1.23 0.00 0.00 174.94 174.55 2krs s VAL 62 N 0.43 3.86 -0.87 2.92 1.01 -1.26 -2.99 120.40 123.51 2krs s VAL 62 Ca 0.52 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.82 2krs s VAL 62 Cb -0.26 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2krs s VAL 62 CO 0.31 0.08 0.00 0.59 0.00 0.00 0.00 175.10 176.08 2krs n ASN 63 N 4.18 -3.19 -1.85 3.32 5.03 -1.26 -1.82 115.26 119.68 2krs n ASN 63 Ca 0.10 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.81 2krs n ASN 63 Cb 0.45 -2.79 0.00 0.00 -1.02 0.00 0.00 39.78 36.42 2krs n ASN 63 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 2krs n GLU 64 N -2.57 -2.32 -0.32 3.52 0.28 -1.16 -4.06 120.64 114.01 2krs n GLU 64 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 2krs n GLU 64 Cb 0.55 -3.18 0.00 0.00 1.43 0.00 0.00 31.44 30.24 2krs n GLU 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2krs n GLY 65 N -0.33 -3.08 3.49 -1.84 0.00 -0.75 -4.81 105.19 97.86 2krs n GLY 65 Ca 0.00 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 2krs n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2krs s SER 66 N -3.35 6.30 0.00 1.61 1.04 -1.26 -4.85 113.70 113.19 2krs s SER 66 Ca 0.00 -0.55 0.25 0.00 0.48 0.00 0.00 55.95 56.13 2krs s SER 66 Cb 0.00 -2.38 0.46 0.00 0.10 0.00 0.00 66.02 64.20 2krs s SER 66 CO 0.00 -1.09 1.38 0.18 0.98 0.00 0.00 173.24 174.69 2krs n LEU 67 N 6.94 1.27 -3.59 2.42 4.77 -1.26 -4.86 117.00 122.69 2krs n LEU 67 Ca -0.01 -0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 55.55 2krs n LEU 67 Cb 0.47 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 2krs n LEU 67 CO 0.60 0.24 0.45 -0.70 -1.33 0.00 0.00 177.39 176.65 2krs s GLU 68 N -2.56 0.51 0.11 3.23 2.12 -1.26 -5.05 118.70 115.79 2krs s GLU 68 Ca 0.21 1.07 -0.17 0.00 0.36 0.00 0.00 54.97 56.44 2krs s GLU 68 Cb 0.19 0.42 -0.05 0.00 0.26 0.00 0.00 34.13 34.95 2krs s GLU 68 CO 0.57 -0.14 1.59 0.45 -0.54 0.00 0.00 175.26 177.19 2krs h HIS 69 N 7.22 0.56 0.00 5.30 3.86 -2.01 -3.48 115.15 126.61 2krs h HIS 69 Ca -0.23 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2krs h HIS 69 Cb 1.16 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2krs h HIS 69 CO 0.13 0.60 0.00 0.72 0.86 0.00 0.00 177.93 180.24 2krs n HIS 70 N -4.61 0.00 -2.89 2.45 8.25 -1.26 -5.11 115.22 112.05 2krs n HIS 70 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2krs n HIS 70 Cb 0.21 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 2krs n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2krs n HIS 71 N 0.00 -2.33 -2.04 4.41 8.25 -1.26 -4.72 115.22 117.52 2krs n HIS 71 Ca 0.00 1.18 0.00 0.00 -0.26 0.00 0.00 57.72 58.64 2krs n HIS 71 Cb 0.00 -2.65 0.00 0.00 1.12 0.00 0.00 29.99 28.46 2krs n HIS 71 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2krs n HIS 72 N 1.43 -4.56 -3.63 4.41 8.25 -1.26 -5.07 115.22 114.78 2krs n HIS 72 Ca -0.10 2.72 -0.11 0.00 -0.26 0.00 0.00 57.72 59.97 2krs n HIS 72 Cb 0.29 -3.38 -0.05 0.00 1.12 0.00 0.00 29.99 27.97 2krs n HIS 72 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2krs s HIS 73 N -0.61 -0.22 0.00 4.41 -3.43 -1.26 -5.14 115.29 109.04 2krs s HIS 73 Ca 0.00 -0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 2krs s HIS 73 Cb 0.00 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.42 2krs s HIS 73 CO 0.00 -0.70 0.00 1.58 -2.00 0.00 0.00 174.74 173.62