#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3s n GLN 2 N 0.00 1.00 -3.74 1.61 1.13 -1.26 -5.16 117.38 110.96 3k3s n GLN 2 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 3k3s n GLN 2 Cb 0.00 -0.08 -0.03 0.00 0.11 0.00 0.00 30.24 30.23 3k3s n GLN 2 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 3k3s s TYR 3 N 0.00 -0.16 -0.05 1.08 -0.85 -1.26 -0.14 117.35 115.97 3k3s s TYR 3 Ca 0.00 -0.19 -0.02 0.00 -0.52 0.00 0.00 57.07 56.34 3k3s s TYR 3 Cb 0.00 0.47 0.04 0.00 0.38 0.00 0.00 41.96 42.84 3k3s s TYR 3 CO 0.00 -0.98 0.10 -1.50 -1.52 0.00 0.00 175.55 171.65 3k3s s ILE 4 N -3.88 -0.12 -0.48 -3.49 2.07 -0.85 -4.86 121.20 109.58 3k3s s ILE 4 Ca 0.09 0.29 -0.24 0.00 -1.41 0.00 0.00 60.65 59.39 3k3s s ILE 4 Cb -0.02 -0.19 0.03 0.00 0.13 0.00 0.00 42.46 42.41 3k3s s ILE 4 CO -0.01 0.12 0.87 -0.75 -1.91 0.00 0.00 174.94 173.26 3k3s s LYS 5 N 1.67 3.41 0.17 3.50 2.20 -1.26 -1.27 119.74 128.16 3k3s s LYS 5 Ca -0.03 -0.09 -0.09 0.00 -0.36 0.00 0.00 55.97 55.40 3k3s s LYS 5 Cb -0.12 -3.97 0.03 0.00 -1.51 0.00 0.00 37.83 32.26 3k3s s LYS 5 CO -0.04 -1.26 1.56 0.82 -0.36 0.00 0.00 175.35 176.07 3k3s h ILE 6 N 6.02 1.27 -3.94 5.43 2.04 -1.97 -3.44 117.51 122.92 3k3s h ILE 6 Ca -0.25 -1.39 -0.29 0.00 1.00 0.00 0.00 64.86 63.93 3k3s h ILE 6 Cb 1.08 1.14 -0.25 0.00 -0.74 0.00 0.00 36.82 38.06 3k3s h ILE 6 CO 1.02 0.48 -0.74 -2.28 0.00 0.00 0.00 178.15 176.62 3k3s s HIS 7 N -4.65 0.56 0.47 1.37 5.04 -1.26 -4.94 115.29 111.89 3k3s s HIS 7 Ca -0.11 -0.31 0.21 0.00 -1.54 0.00 0.00 55.06 53.31 3k3s s HIS 7 Cb 0.12 -0.35 1.21 0.00 0.04 0.00 0.00 32.58 33.61 3k3s s HIS 7 CO 0.87 -0.05 1.93 0.00 -2.34 0.00 0.00 174.74 175.15 3k3s h ALA 8 N 5.20 2.33 0.00 1.58 0.00 -1.98 -1.56 119.26 124.83 3k3s h ALA 8 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3k3s h ALA 8 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3k3s h ALA 8 CO 0.45 -0.53 -0.11 1.28 0.00 0.00 0.00 179.25 180.35 3k3s n LEU 9 N -4.43 0.16 -4.79 0.00 4.77 -1.26 -4.94 117.00 106.51 3k3s n LEU 9 Ca 0.14 0.41 -0.34 0.00 -0.03 0.00 0.00 56.01 56.19 3k3s n LEU 9 Cb 0.62 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3k3s n LEU 9 CO 0.34 0.01 0.73 -1.81 -1.33 0.00 0.00 177.39 175.34 3k3s s ASP 10 N -3.13 5.83 -0.07 -1.43 1.01 -0.59 -4.87 116.67 113.42 3k3s s ASP 10 Ca 0.13 1.96 0.11 0.00 0.71 0.00 0.00 52.55 55.45 3k3s s ASP 10 Cb 0.18 -2.55 0.23 0.00 1.01 0.00 0.00 42.92 41.79 3k3s s ASP 10 CO 0.57 -1.14 1.16 -0.46 0.21 0.00 0.00 175.17 175.52 3k3s n ASN 11 N -1.62 2.59 -4.20 0.27 0.23 -0.84 -4.99 115.26 106.70 3k3s n ASN 11 Ca 0.10 -2.51 -0.14 0.00 -0.53 0.00 0.00 54.58 51.49 3k3s n ASN 11 Cb 0.52 -0.27 -0.11 0.00 -2.08 0.00 0.00 39.78 37.85 3k3s n ASN 11 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3k3s s VAL 12 N -1.90 1.00 0.09 3.53 -7.23 -1.25 -0.48 120.40 114.16 3k3s s VAL 12 Ca 0.21 -1.79 0.05 0.00 -1.81 0.00 0.00 61.98 58.64 3k3s s VAL 12 Cb 0.17 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 3k3s s VAL 12 CO 0.05 -0.64 -0.13 0.00 -0.31 0.00 0.00 175.10 174.08 3k3s s ALA 13 N -2.79 1.23 -0.18 1.32 0.00 -0.10 -4.61 121.76 116.63 3k3s s ALA 13 Ca 0.09 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 3k3s s ALA 13 Cb -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 3k3s s ALA 13 CO -0.00 0.10 0.22 0.08 0.00 0.00 0.00 175.76 176.16 3k3s s VAL 14 N -1.74 5.35 0.18 0.00 1.01 -0.40 -1.47 120.40 123.33 3k3s s VAL 14 Ca 0.02 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 3k3s s VAL 14 Cb -0.07 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3k3s s VAL 14 CO 0.02 0.40 1.32 0.00 0.00 0.00 0.00 175.10 176.84 3k3s s ALA 15 N 0.48 3.53 -2.58 5.51 0.00 0.12 -2.02 121.76 126.81 3k3s s ALA 15 Ca 0.12 1.10 0.21 0.00 0.00 0.00 0.00 51.96 53.40 3k3s s ALA 15 Cb -0.12 -3.49 0.22 0.00 0.00 0.00 0.00 23.12 19.73 3k3s s ALA 15 CO 0.01 -0.55 1.22 1.28 0.00 0.00 0.00 175.76 177.73 3k3s n LEU 16 N 2.87 2.92 -4.01 0.00 4.77 0.81 -0.74 117.00 123.62 3k3s n LEU 16 Ca 0.07 -1.12 -0.10 0.00 -0.03 0.00 0.00 56.01 54.83 3k3s n LEU 16 Cb 0.43 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3k3s n LEU 16 CO 0.58 0.53 0.17 0.00 -1.33 0.00 0.00 177.39 177.34 3k3s s ALA 17 N -1.69 -0.10 -0.19 -1.18 0.00 -1.22 -4.91 121.76 112.46 3k3s s ALA 17 Ca 0.28 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 3k3s s ALA 17 Cb 0.19 1.08 -0.01 0.00 0.00 0.00 0.00 23.12 24.38 3k3s s ALA 17 CO 0.27 -0.84 1.23 -0.51 0.00 0.00 0.00 175.76 175.92 3k3s s ASP 18 N -3.05 6.93 -0.14 0.00 1.01 -1.26 -3.69 116.67 116.48 3k3s s ASP 18 Ca 0.24 1.58 -0.03 0.00 0.71 0.00 0.00 52.55 55.04 3k3s s ASP 18 Cb -0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3k3s s ASP 18 CO 0.10 -0.79 -0.02 -0.76 0.21 0.00 0.00 175.17 173.91 3k3s s LEU 19 N 3.57 3.37 0.35 1.23 1.43 -0.18 -4.95 118.68 123.50 3k3s s LEU 19 Ca 0.53 -0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 53.40 3k3s s LEU 19 Cb -0.20 -1.80 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 3k3s s LEU 19 CO 0.14 0.23 0.84 0.00 0.23 0.00 0.00 176.35 177.79 3k3s s ALA 20 N 0.02 3.22 0.30 4.21 0.00 -1.26 -0.37 121.76 127.87 3k3s s ALA 20 Ca 0.01 0.25 -0.28 0.00 0.00 0.00 0.00 51.96 51.95 3k3s s ALA 20 Cb -0.13 -2.97 -0.14 0.00 0.00 0.00 0.00 23.12 19.88 3k3s s ALA 20 CO 0.02 0.24 1.00 -1.91 0.00 0.00 0.00 175.76 175.11 3k3s n GLU 21 N -0.18 1.34 0.00 0.00 2.13 -1.24 -1.49 120.64 121.21 3k3s n GLU 21 Ca 0.04 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.33 3k3s n GLU 21 Cb 0.53 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.39 3k3s n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k3s n GLY 22 N 1.22 2.08 3.72 8.31 0.00 -0.02 -4.94 105.19 115.57 3k3s n GLY 22 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3k3s n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k3s s THR 23 N -2.32 2.11 -0.25 2.61 2.01 -0.55 -4.62 115.64 114.63 3k3s s THR 23 Ca 0.00 0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.85 3k3s s THR 23 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 3k3s s THR 23 CO 0.00 0.00 0.52 -1.61 -0.69 0.00 0.00 174.62 172.85 3k3s s GLU 24 N 1.42 4.08 -0.06 4.92 2.02 -1.26 -0.96 118.70 128.86 3k3s s GLU 24 Ca 0.76 0.35 0.02 0.00 0.02 0.00 0.00 54.97 56.11 3k3s s GLU 24 Cb -0.49 -3.64 -0.03 0.00 0.10 0.00 0.00 34.13 30.07 3k3s s GLU 24 CO 0.33 -0.34 -0.08 0.14 0.02 0.00 0.00 175.26 175.33 3k3s s VAL 25 N 2.27 3.58 -0.15 2.63 -7.23 0.03 -4.95 120.40 116.56 3k3s s VAL 25 Ca 0.22 -0.56 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 3k3s s VAL 25 Cb -0.16 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.33 3k3s s VAL 25 CO 0.09 0.57 -0.20 -0.55 -0.31 0.00 0.00 175.10 174.71 3k3s s SER 26 N -0.87 3.26 -0.00 4.85 0.15 -1.26 -0.64 113.70 119.19 3k3s s SER 26 Ca 0.13 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.20 3k3s s SER 26 Cb -0.11 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 3k3s s SER 26 CO 0.02 0.06 -0.01 -0.69 1.20 0.00 0.00 173.24 173.82 3k3s s VAL 27 N 0.93 0.08 0.00 4.45 1.01 -0.93 -4.97 120.40 120.98 3k3s s VAL 27 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3k3s s VAL 27 Cb -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.15 3k3s s VAL 27 CO -0.04 0.03 0.00 0.47 0.00 0.00 0.00 175.10 175.56 3k3s n ASP 28 N 3.11 0.00 -4.56 3.32 8.00 -1.26 -2.81 116.55 122.34 3k3s n ASP 28 Ca -0.13 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.09 3k3s n ASP 28 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 3k3s n ASP 28 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3k3s s ASN 29 N -4.00 5.26 0.58 -2.24 6.03 -1.26 -4.95 114.94 114.36 3k3s s ASN 29 Ca 0.00 -0.77 0.00 0.00 -1.03 0.00 0.00 52.86 51.06 3k3s s ASN 29 Cb 0.00 -2.56 0.00 0.00 -3.03 0.00 0.00 41.25 35.66 3k3s s ASN 29 CO 0.00 -2.65 0.00 0.00 -2.03 0.00 0.00 177.10 172.42 3k3s n GLN 30 N 8.84 0.00 -3.94 3.55 -0.00 -1.12 -4.90 117.38 119.80 3k3s n GLN 30 Ca 0.40 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 57.06 3k3s n GLN 30 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 30.24 30.66 3k3s n GLN 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3k3s s THR 31 N 0.00 5.31 -0.00 -0.39 2.01 -1.26 -2.18 115.64 119.12 3k3s s THR 31 Ca 0.00 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 61.86 3k3s s THR 31 Cb 0.00 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 3k3s s THR 31 CO 0.00 0.36 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.48 3k3s s VAL 32 N -1.27 0.90 -0.20 3.82 1.01 0.19 -4.98 120.40 119.86 3k3s s VAL 32 Ca 0.25 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 3k3s s VAL 32 Cb -0.12 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3k3s s VAL 32 CO 0.16 0.21 -0.02 -0.89 0.00 0.00 0.00 175.10 174.56 3k3s s THR 33 N -0.36 3.69 0.22 3.92 2.01 -1.26 -0.79 115.64 123.06 3k3s s THR 33 Ca 0.04 -0.40 -0.31 0.00 0.31 0.00 0.00 61.69 61.33 3k3s s THR 33 Cb -0.05 -2.67 -0.10 0.00 0.01 0.00 0.00 72.50 69.69 3k3s s THR 33 CO -0.00 0.43 1.51 -0.76 -0.69 0.00 0.00 174.62 175.10 3k3s s LEU 34 N 1.14 4.37 0.00 4.42 1.43 -0.13 -4.44 118.68 125.47 3k3s s LEU 34 Ca 0.02 2.67 0.25 0.00 -1.03 0.00 0.00 54.13 56.05 3k3s s LEU 34 Cb -0.15 -3.61 0.56 0.00 0.03 0.00 0.00 46.19 43.02 3k3s s LEU 34 CO 0.00 -0.77 1.44 0.54 0.23 0.00 0.00 176.35 177.79 3k3s n ARG 35 N 3.00 0.34 -3.89 1.70 1.74 -0.50 -0.84 116.66 118.21 3k3s n ARG 35 Ca 0.10 -0.20 -0.09 0.00 -0.77 0.00 0.00 57.85 56.89 3k3s n ARG 35 Cb 0.39 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 3k3s n ARG 35 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3k3s s GLN 36 N -2.80 1.57 0.35 5.56 0.00 -1.26 -4.89 119.66 118.18 3k3s s GLN 36 Ca 0.16 -1.08 -0.29 0.00 -0.00 0.00 0.00 55.36 54.16 3k3s s GLN 36 Cb 0.18 0.52 -0.11 0.00 0.00 0.00 0.00 33.01 33.60 3k3s s GLN 36 CO 0.64 -0.68 1.48 -0.51 0.00 0.00 0.00 175.29 176.22 3k3s s ASP 37 N -2.95 6.42 -0.18 12.60 1.01 -1.26 -3.59 116.67 128.72 3k3s s ASP 37 Ca 0.16 2.96 0.01 0.00 0.71 0.00 0.00 52.55 56.39 3k3s s ASP 37 Cb -0.02 -2.66 0.03 0.00 1.01 0.00 0.00 42.92 41.28 3k3s s ASP 37 CO 0.05 -0.83 -0.18 -0.69 0.21 0.00 0.00 175.17 173.74 3k3s s VAL 38 N -0.83 1.96 0.49 -1.27 1.01 0.50 -4.89 120.40 117.37 3k3s s VAL 38 Ca 0.55 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 3k3s s VAL 38 Cb -0.46 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.04 3k3s s VAL 38 CO 0.58 0.45 1.23 0.00 0.00 0.00 0.00 175.10 177.36 3k3s s ALA 39 N 1.32 2.92 0.31 5.51 0.00 -1.26 -1.01 121.76 129.55 3k3s s ALA 39 Ca 0.03 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 3k3s s ALA 39 Cb -0.14 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.41 3k3s s ALA 39 CO -0.12 -0.91 1.26 2.89 0.00 0.00 0.00 175.76 178.88 3k3s n ARG 40 N -0.67 1.97 0.00 0.00 1.85 -1.24 -1.48 116.66 117.08 3k3s n ARG 40 Ca 0.08 0.69 0.00 0.00 -1.00 0.00 0.00 57.85 57.63 3k3s n ARG 40 Cb 0.47 -2.25 0.00 0.00 -1.05 0.00 0.00 32.46 29.63 3k3s n ARG 40 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3k3s n GLY 41 N 1.09 2.76 3.95 2.89 0.00 0.09 -4.97 105.19 110.99 3k3s n GLY 41 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3k3s n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k3s s HIS 42 N -2.10 2.72 0.17 1.61 3.76 -0.55 -4.77 115.29 116.13 3k3s s HIS 42 Ca 0.00 0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.19 3k3s s HIS 42 Cb 0.00 -3.08 -0.05 0.00 1.11 0.00 0.00 32.58 30.57 3k3s s HIS 42 CO 0.00 -1.32 -0.10 -1.59 -0.85 0.00 0.00 174.74 170.88 3k3s s LYS 43 N -5.11 1.16 0.05 1.40 -2.85 -1.26 0.10 119.74 113.23 3k3s s LYS 43 Ca 0.60 -1.51 -0.02 0.00 -1.00 0.00 0.00 55.97 54.04 3k3s s LYS 43 Cb -0.10 -0.76 -0.03 0.00 -2.06 0.00 0.00 37.83 34.88 3k3s s LYS 43 CO 0.43 0.09 0.01 -0.59 0.10 0.00 0.00 175.35 175.38 3k3s s PHE 44 N -3.24 0.44 0.12 1.78 -0.71 -0.54 -1.38 117.98 114.45 3k3s s PHE 44 Ca 0.19 -0.94 -0.30 0.00 -1.04 0.00 0.00 56.93 54.84 3k3s s PHE 44 Cb 0.02 -0.32 -0.06 0.00 -1.21 0.00 0.00 43.02 41.45 3k3s s PHE 44 CO 0.03 -0.39 1.07 0.00 -1.34 0.00 0.00 175.22 174.59 3k3s s ALA 45 N -3.71 3.32 -0.63 1.99 0.00 -0.57 -0.93 121.76 121.23 3k3s s ALA 45 Ca 0.05 0.73 0.23 0.00 0.00 0.00 0.00 51.96 52.98 3k3s s ALA 45 Cb 0.06 -3.35 0.16 0.00 0.00 0.00 0.00 23.12 20.00 3k3s s ALA 45 CO -0.09 -0.21 1.14 1.28 0.00 0.00 0.00 175.76 177.88 3k3s n LEU 46 N 2.91 0.64 -3.85 0.00 4.77 0.37 -0.38 117.00 121.47 3k3s n LEU 46 Ca 0.04 0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 3k3s n LEU 46 Cb 0.47 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3k3s n LEU 46 CO 0.53 0.01 0.33 0.28 -1.33 0.00 0.00 177.39 177.21 3k3s s THR 47 N -3.18 0.01 0.46 -5.08 -1.32 -1.26 -4.77 115.64 100.50 3k3s s THR 47 Ca 0.05 -1.01 -0.25 0.00 -1.21 0.00 0.00 61.69 59.26 3k3s s THR 47 Cb 0.14 -1.90 -0.08 0.00 -1.51 0.00 0.00 72.50 69.15 3k3s s THR 47 CO 0.77 -0.03 1.41 0.47 -2.21 0.00 0.00 174.62 175.03 3k3s n ASP 48 N -0.40 3.20 -3.99 8.08 8.00 -1.26 -3.91 116.55 126.28 3k3s n ASP 48 Ca -0.06 1.11 -0.31 0.00 0.71 0.00 0.00 54.79 56.24 3k3s n ASP 48 Cb 0.61 -1.59 -0.15 0.00 -0.02 0.00 0.00 41.12 39.96 3k3s n ASP 48 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k3s s ILE 49 N -1.20 1.79 0.62 0.53 1.01 0.44 -4.91 121.20 119.48 3k3s s ILE 49 Ca 0.62 -1.44 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 3k3s s ILE 49 Cb -0.45 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 3k3s s ILE 49 CO 0.57 -0.11 1.13 0.00 0.00 0.00 0.00 174.94 176.52 3k3s s ALA 50 N 1.26 2.54 0.01 9.38 0.00 -1.26 -0.50 121.76 133.19 3k3s s ALA 50 Ca -0.06 0.69 -0.37 0.00 0.00 0.00 0.00 51.96 52.23 3k3s s ALA 50 Cb -0.19 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 3k3s s ALA 50 CO -0.06 -1.11 1.52 1.17 0.00 0.00 0.00 175.76 177.28 3k3s n LYS 51 N -1.97 1.45 -0.13 0.00 4.81 -1.26 -1.13 118.16 119.92 3k3s n LYS 51 Ca 0.11 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 3k3s n LYS 51 Cb 0.51 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3k3s n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k3s n GLY 52 N 3.22 1.49 3.90 3.14 0.00 -0.31 -4.94 105.19 111.69 3k3s n GLY 52 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3k3s n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3s s ALA 53 N -2.70 3.05 0.22 4.61 0.00 -0.28 -4.69 121.76 121.97 3k3s s ALA 53 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 3k3s s ALA 53 Cb 0.00 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.19 3k3s s ALA 53 CO 0.00 -1.03 1.21 -0.80 0.00 0.00 0.00 175.76 175.13 3k3s s ASN 54 N -4.35 7.06 -0.22 0.00 0.01 -1.26 -1.84 114.94 114.35 3k3s s ASN 54 Ca 0.57 2.31 -0.22 0.00 -0.71 0.00 0.00 52.86 54.81 3k3s s ASN 54 Cb -0.11 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 3k3s s ASN 54 CO 0.49 -0.37 0.67 -0.69 -1.51 0.00 0.00 177.10 175.69 3k3s s VAL 55 N -0.34 4.98 -0.16 1.60 1.01 0.80 -4.86 120.40 123.42 3k3s s VAL 55 Ca 0.51 1.26 -0.00 0.00 0.00 0.00 0.00 61.98 63.75 3k3s s VAL 55 Cb -0.34 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.06 3k3s s VAL 55 CO 0.39 0.06 -0.14 -0.63 0.00 0.00 0.00 175.10 174.78 3k3s s ILE 56 N 2.20 2.73 -0.06 2.22 1.01 -1.26 -0.66 121.20 127.39 3k3s s ILE 56 Ca 0.30 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 3k3s s ILE 56 Cb -0.16 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.16 3k3s s ILE 56 CO 0.10 0.51 0.18 -0.75 0.00 0.00 0.00 174.94 174.98 3k3s s LYS 57 N 0.87 0.26 -1.50 2.79 2.20 -0.12 -1.99 119.74 122.25 3k3s s LYS 57 Ca -0.04 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3k3s s LYS 57 Cb -0.15 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 3k3s s LYS 57 CO -0.01 -0.04 0.00 0.66 -0.36 0.00 0.00 175.35 175.60 3k3s n TYR 58 N 2.75 0.00 -1.08 4.03 4.01 -1.26 -1.20 117.16 124.42 3k3s n TYR 58 Ca -0.14 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.57 3k3s n TYR 58 Cb 0.58 -2.70 -0.01 0.00 -0.31 0.00 0.00 39.34 36.91 3k3s n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k3s n GLY 59 N -0.73 0.57 3.30 2.72 0.00 -1.26 -4.90 105.19 104.89 3k3s n GLY 59 Ca -0.14 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 3k3s n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k3s s LEU 60 N -0.60 2.20 -0.28 0.99 1.43 -0.34 -5.01 118.68 117.07 3k3s s LEU 60 Ca 0.00 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.22 3k3s s LEU 60 Cb 0.00 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 45.13 3k3s s LEU 60 CO 0.00 0.18 1.17 -2.16 0.23 0.00 0.00 176.35 175.77 3k3s s PRO 61 N -1.40 4.07 0.00 1.29 0.04 -1.26 -0.95 135.00 136.79 3k3s s PRO 61 Ca 0.10 1.24 0.17 0.00 0.04 0.00 0.00 61.00 62.54 3k3s s PRO 61 Cb -0.09 -3.77 -0.11 0.00 0.04 0.00 0.00 34.50 30.56 3k3s s PRO 61 CO 0.03 -0.91 0.78 0.44 0.04 0.00 0.00 177.00 177.38 3k3s n ILE 62 N 5.84 0.00 -3.11 0.56 -5.35 0.17 -4.86 119.36 112.61 3k3s n ILE 62 Ca 0.13 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3k3s n ILE 62 Cb 0.46 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 3k3s n ILE 62 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k3s n GLY 63 N 1.31 -1.35 3.35 3.28 0.00 -1.19 -1.87 105.19 108.73 3k3s n GLY 63 Ca 0.05 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3k3s n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k3s s TYR 64 N -2.91 2.38 0.28 1.61 1.51 -0.19 -0.14 117.35 119.89 3k3s s TYR 64 Ca 0.00 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 3k3s s TYR 64 Cb 0.00 -1.46 -0.11 0.00 -0.11 0.00 0.00 41.96 40.27 3k3s s TYR 64 CO 0.00 0.08 1.59 0.00 -1.11 0.00 0.00 175.55 176.11 3k3s s ALA 65 N -0.73 3.76 -0.21 3.71 0.00 -0.76 -0.22 121.76 127.30 3k3s s ALA 65 Ca 0.11 1.55 0.20 0.00 0.00 0.00 0.00 51.96 53.82 3k3s s ALA 65 Cb -0.10 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 3k3s s ALA 65 CO 0.01 -0.95 1.05 -0.07 0.00 0.00 0.00 175.76 175.80 3k3s h LEU 66 N 5.15 0.00 -8.30 0.00 3.38 -1.37 -0.81 115.31 113.36 3k3s h LEU 66 Ca -0.46 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.36 3k3s h LEU 66 Cb 1.22 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 3k3s h LEU 66 CO 0.81 0.21 -0.48 0.00 0.09 0.00 0.00 178.44 179.08 3k3s s ALA 67 N -3.19 0.49 0.26 1.53 0.00 -1.26 -4.82 121.76 114.77 3k3s s ALA 67 Ca -0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.42 3k3s s ALA 67 Cb 0.09 0.96 -0.13 0.00 0.00 0.00 0.00 23.12 24.03 3k3s s ALA 67 CO 0.78 -0.59 1.31 -0.25 0.00 0.00 0.00 175.76 177.01 3k3s n ASP 68 N -0.19 2.44 -4.04 0.00 8.00 -1.26 -4.09 116.55 117.41 3k3s n ASP 68 Ca -0.05 1.16 -0.30 0.00 0.71 0.00 0.00 54.79 56.31 3k3s n ASP 68 Cb 0.64 -1.40 -0.16 0.00 -0.02 0.00 0.00 41.12 40.17 3k3s n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k3s s ILE 69 N -0.40 1.65 0.38 0.53 1.01 0.34 -4.89 121.20 119.82 3k3s s ILE 69 Ca 0.65 -0.69 -0.23 0.00 0.00 0.00 0.00 60.65 60.38 3k3s s ILE 69 Cb -0.66 -1.53 -0.10 0.00 0.01 0.00 0.00 42.46 40.18 3k3s s ILE 69 CO 0.54 0.47 0.96 0.00 0.00 0.00 0.00 174.94 176.91 3k3s s ALA 70 N 1.36 3.11 0.11 9.38 0.00 -1.26 -0.42 121.76 134.04 3k3s s ALA 70 Ca 0.03 0.48 -0.36 0.00 0.00 0.00 0.00 51.96 52.11 3k3s s ALA 70 Cb -0.13 -3.18 -0.16 0.00 0.00 0.00 0.00 23.12 19.65 3k3s s ALA 70 CO -0.09 0.11 1.35 0.00 0.00 0.00 0.00 175.76 177.13 3k3s n ALA 71 N -0.11 -0.64 -0.15 0.00 0.00 -1.25 -0.91 120.51 117.45 3k3s n ALA 71 Ca 0.05 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3k3s n ALA 71 Cb 0.52 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3k3s n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k3s n GLY 72 N 2.58 1.22 3.84 0.00 0.00 0.49 -4.76 105.19 108.56 3k3s n GLY 72 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3k3s n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k3s s GLU 73 N -0.52 3.96 0.47 1.61 2.12 -0.09 -1.41 118.70 124.84 3k3s s GLU 73 Ca 0.00 0.46 -0.23 0.00 0.36 0.00 0.00 54.97 55.56 3k3s s GLU 73 Cb 0.00 -3.01 -0.07 0.00 0.26 0.00 0.00 34.13 31.31 3k3s s GLU 73 CO 0.00 0.53 1.25 -3.38 -0.54 0.00 0.00 175.26 173.12 3k3s s HIS 74 N -1.38 2.71 -0.18 5.30 -3.43 -1.26 -1.51 115.29 115.53 3k3s s HIS 74 Ca 0.35 1.46 -0.01 0.00 -0.80 0.00 0.00 55.06 56.06 3k3s s HIS 74 Cb -0.16 -3.57 0.00 0.00 -1.43 0.00 0.00 32.58 27.43 3k3s s HIS 74 CO 0.18 -2.03 -0.14 0.08 -2.00 0.00 0.00 174.74 170.83 3k3s s VAL 75 N -1.40 2.64 0.20 -5.38 1.01 -0.48 -4.84 120.40 112.15 3k3s s VAL 75 Ca 0.64 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 3k3s s VAL 75 Cb -0.34 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 33.92 3k3s s VAL 75 CO 0.42 0.50 0.35 0.00 0.00 0.00 0.00 175.10 176.37 3k3s n HIS 76 N 4.46 -1.41 0.27 5.22 1.44 -1.26 -4.34 115.22 119.60 3k3s n HIS 76 Ca -0.20 -1.11 0.14 0.00 -2.01 0.00 0.00 57.72 54.55 3k3s n HIS 76 Cb 0.51 0.41 0.74 0.00 0.12 0.00 0.00 29.99 31.76 3k3s n HIS 76 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3k3s h ALA 77 N 1.90 1.19 -0.00 1.59 0.00 -1.99 -1.51 119.26 120.43 3k3s h ALA 77 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3k3s h ALA 77 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3k3s h ALA 77 CO 0.21 0.13 -0.56 0.72 0.00 0.00 0.00 179.25 179.76 3k3s n HIS 78 N -3.49 0.00 -0.33 0.00 -0.00 -1.26 -3.89 115.22 106.24 3k3s n HIS 78 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.74 3k3s n HIS 78 Cb 0.25 -0.16 0.05 0.00 -0.00 0.00 0.00 29.99 30.13 3k3s n HIS 78 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 3k3s n ASN 79 N -1.26 2.13 -4.07 0.41 0.23 -1.00 -4.93 115.26 106.76 3k3s n ASN 79 Ca 0.07 -2.34 -0.22 0.00 -0.53 0.00 0.00 54.58 51.56 3k3s n ASN 79 Cb 0.34 -0.14 -0.15 0.00 -2.08 0.00 0.00 39.78 37.75 3k3s n ASN 79 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3k3s s THR 80 N -1.58 1.00 -0.32 5.53 2.01 -0.60 -0.93 115.64 120.74 3k3s s THR 80 Ca 0.10 -0.52 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 3k3s s THR 80 Cb 0.09 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.75 3k3s s THR 80 CO 0.01 0.29 0.15 -0.60 -0.69 0.00 0.00 174.62 173.79 3k3s s ARG 81 N -0.16 3.23 0.54 4.92 3.52 0.70 -4.71 118.95 126.99 3k3s s ARG 81 Ca 0.02 -0.79 -0.16 0.00 -0.13 0.00 0.00 55.73 54.67 3k3s s ARG 81 Cb -0.06 -3.58 -0.06 0.00 -1.56 0.00 0.00 34.95 29.69 3k3s s ARG 81 CO -0.00 -0.46 1.01 0.95 -0.81 0.00 0.00 175.30 175.99 3k3s s THR 82 N 1.59 4.25 -2.42 4.11 -4.23 -1.26 -1.02 115.64 116.66 3k3s s THR 82 Ca 0.04 1.09 0.29 0.00 -1.18 0.00 0.00 61.69 61.93 3k3s s THR 82 Cb -0.17 -3.59 0.61 0.00 1.34 0.00 0.00 72.50 70.68 3k3s s THR 82 CO 0.06 -0.60 1.82 0.59 -0.54 0.00 0.00 174.62 175.95