#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 6.62 -3.59 1.61 1.13 -1.26 -5.18 117.38 116.70 3k3s n GLN 2 Ca 0.00 -0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3k3s n GLN 2 Cb 0.00 -0.54 -0.04 0.00 0.11 0.00 0.00 30.24 29.77 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 -1.09 -0.27 -0.04 1.08 -0.85 -1.26 -0.49 117.35 114.44 3k3s s TYR 3 Ca 0.00 -0.03 0.01 0.00 -0.52 0.00 0.00 57.07 56.53 3k3s s TYR 3 Cb 0.01 0.32 0.02 0.00 0.38 0.00 0.00 41.96 42.69 3k3s s TYR 3 CO 0.03 -0.73 -0.02 -1.50 -1.52 0.00 0.00 175.55 171.81 3k3s s ILE 4 N -3.79 0.36 -0.35 -3.49 2.07 -0.28 -4.86 121.20 110.85 3k3s s ILE 4 Ca 0.03 -0.02 -0.18 0.00 -1.41 0.00 0.00 60.65 59.07 3k3s s ILE 4 Cb 0.01 -0.42 -0.00 0.00 0.13 0.00 0.00 42.46 42.18 3k3s s ILE 4 CO -0.12 0.18 0.50 -0.75 -1.91 0.00 0.00 174.94 172.85 3k3s s LYS 5 N 0.96 3.63 0.02 3.50 2.20 -1.26 -0.56 119.74 128.22 3k3s s LYS 5 Ca -0.11 -0.16 -0.19 0.00 -0.36 0.00 0.00 55.97 55.15 3k3s s LYS 5 Cb -0.14 -3.80 -0.22 0.00 -1.51 0.00 0.00 37.83 32.15 3k3s s LYS 5 CO -0.01 -0.63 1.13 0.82 -0.36 0.00 0.00 175.35 176.30 3k3s h ILE 6 N 5.60 1.41 -3.99 5.43 2.04 -1.98 -3.45 117.51 122.57 3k3s h ILE 6 Ca -0.28 -2.04 -0.44 0.00 1.00 0.00 0.00 64.86 63.10 3k3s h ILE 6 Cb 1.13 2.51 -0.23 0.00 -0.74 0.00 0.00 36.82 39.49 3k3s h ILE 6 CO 0.77 0.60 -0.79 -2.28 0.00 0.00 0.00 178.15 176.45 3k3s s HIS 7 N -3.30 1.28 0.57 1.37 5.04 -1.26 -4.95 115.29 114.04 3k3s s HIS 7 Ca -0.13 -0.41 0.26 0.00 -1.54 0.00 0.00 55.06 53.24 3k3s s HIS 7 Cb 0.04 -0.73 1.62 0.00 0.04 0.00 0.00 32.58 33.55 3k3s s HIS 7 CO 0.83 0.06 2.16 0.00 -2.34 0.00 0.00 174.74 175.45 3k3s h ALA 8 N 4.55 1.80 -0.00 1.58 0.00 -1.97 -1.61 119.26 123.60 3k3s h ALA 8 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3k3s h ALA 8 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3k3s h ALA 8 CO 0.42 -0.16 -0.22 1.28 0.00 0.00 0.00 179.25 180.57 3k3s n LEU 9 N -4.01 0.61 -4.77 0.00 4.77 -1.26 -4.96 117.00 107.38 3k3s n LEU 9 Ca -0.00 -0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 3k3s n LEU 9 Cb 0.21 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3k3s n LEU 9 CO 0.29 0.12 0.86 -1.81 -1.33 0.00 0.00 177.39 175.52 3k3s s ASP 10 N -2.63 6.07 0.00 -1.43 1.01 -0.61 -4.87 116.67 114.22 3k3s s ASP 10 Ca 0.23 2.39 0.11 0.00 0.71 0.00 0.00 52.55 55.99 3k3s s ASP 10 Cb 0.19 -2.61 0.27 0.00 1.01 0.00 0.00 42.92 41.78 3k3s s ASP 10 CO 0.54 -0.99 1.18 -0.46 0.21 0.00 0.00 175.17 175.65 3k3s n ASN 11 N -0.50 2.76 -4.23 0.27 0.23 -0.68 -4.95 115.26 108.15 3k3s n ASN 11 Ca 0.07 -1.89 -0.19 0.00 -0.53 0.00 0.00 54.58 52.05 3k3s n ASN 11 Cb 0.47 -0.19 -0.11 0.00 -2.08 0.00 0.00 39.78 37.87 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 -0.99 1.33 0.30 3.53 -7.23 -1.24 -0.45 120.40 115.65 3k3s s VAL 12 Ca 0.22 -1.61 0.10 0.00 -1.81 0.00 0.00 61.98 58.88 3k3s s VAL 12 Cb 0.12 -1.44 -0.06 0.00 0.56 0.00 0.00 36.38 35.57 3k3s s VAL 12 CO 0.16 -0.33 -0.14 0.00 -0.31 0.00 0.00 175.10 174.48 3k3s s ALA 13 N -1.84 2.71 -0.21 1.32 0.00 -0.39 -4.66 121.76 118.70 3k3s s ALA 13 Ca 0.06 -1.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.03 3k3s s ALA 13 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 3k3s s ALA 13 CO 0.03 0.14 0.01 0.08 0.00 0.00 0.00 175.76 176.03 3k3s s VAL 14 N -2.65 4.04 0.24 0.00 1.01 0.27 -1.26 120.40 122.04 3k3s s VAL 14 Ca 0.30 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3k3s s VAL 14 Cb -0.01 -2.83 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 3k3s s VAL 14 CO 0.14 0.42 1.38 0.00 0.00 0.00 0.00 175.10 177.05 3k3s s ALA 15 N 1.05 3.58 -1.68 5.51 0.00 -0.31 -1.12 121.76 128.79 3k3s s ALA 15 Ca 0.02 1.24 0.15 0.00 0.00 0.00 0.00 51.96 53.38 3k3s s ALA 15 Cb -0.14 -3.52 0.23 0.00 0.00 0.00 0.00 23.12 19.68 3k3s s ALA 15 CO 0.02 -0.66 1.12 1.28 0.00 0.00 0.00 175.76 177.52 3k3s n LEU 16 N 2.35 2.64 -4.03 0.00 4.77 0.36 -0.67 117.00 122.43 3k3s n LEU 16 Ca 0.06 -1.37 -0.12 0.00 -0.03 0.00 0.00 56.01 54.55 3k3s n LEU 16 Cb 0.41 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 3k3s n LEU 16 CO 0.59 0.56 0.18 0.00 -1.33 0.00 0.00 177.39 177.40 3k3s s ALA 17 N -1.17 0.25 -0.43 -1.18 0.00 -1.24 -4.85 121.76 113.14 3k3s s ALA 17 Ca 0.23 -1.21 -0.28 0.00 0.00 0.00 0.00 51.96 50.70 3k3s s ALA 17 Cb 0.14 1.08 0.03 0.00 0.00 0.00 0.00 23.12 24.37 3k3s s ALA 17 CO 0.20 -0.83 1.08 -0.51 0.00 0.00 0.00 175.76 175.70 3k3s s ASP 18 N -3.14 6.68 -0.12 0.00 1.01 -1.26 -2.93 116.67 116.92 3k3s s ASP 18 Ca 0.26 0.56 -0.10 0.00 0.71 0.00 0.00 52.55 53.98 3k3s s ASP 18 Cb -0.01 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 3k3s s ASP 18 CO 0.15 -1.12 0.22 -0.76 0.21 0.00 0.00 175.17 173.87 3k3s s LEU 19 N 4.12 4.35 0.35 1.23 1.43 0.20 -4.92 118.68 125.43 3k3s s LEU 19 Ca 0.45 0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 53.90 3k3s s LEU 19 Cb -0.09 -2.23 -0.10 0.00 0.03 0.00 0.00 46.19 43.80 3k3s s LEU 19 CO 0.26 0.30 0.82 0.00 0.23 0.00 0.00 176.35 177.96 3k3s s ALA 20 N -0.53 3.23 0.15 4.21 0.00 -1.26 -0.93 121.76 126.62 3k3s s ALA 20 Ca 0.16 0.21 -0.34 0.00 0.00 0.00 0.00 51.96 51.99 3k3s s ALA 20 Cb -0.13 -2.94 -0.15 0.00 0.00 0.00 0.00 23.12 19.91 3k3s s ALA 20 CO 0.05 0.25 1.45 -1.91 0.00 0.00 0.00 175.76 175.60 3k3s n GLU 21 N -0.26 1.74 0.00 0.00 2.13 -1.25 -2.33 120.64 120.66 3k3s n GLU 21 Ca 0.04 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.49 3k3s n GLU 21 Cb 0.53 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.92 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 2.87 2.40 3.74 8.31 0.00 -0.66 -4.94 105.19 116.91 3k3s n GLY 22 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.30 2.34 -0.18 2.61 2.01 -0.99 -4.66 115.64 114.48 3k3s s THR 23 Ca 0.00 0.27 -0.18 0.00 0.31 0.00 0.00 61.69 62.09 3k3s s THR 23 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 3k3s s THR 23 CO 0.00 0.04 0.49 -1.61 -0.69 0.00 0.00 174.62 172.85 3k3s s GLU 24 N 0.13 4.22 -0.04 4.92 2.02 -1.26 -1.71 118.70 126.98 3k3s s GLU 24 Ca 0.65 0.39 0.02 0.00 0.02 0.00 0.00 54.97 56.05 3k3s s GLU 24 Cb -0.46 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.21 3k3s s GLU 24 CO 0.41 -0.06 -0.07 0.08 0.02 0.00 0.00 175.26 175.63 3k3s s VAL 25 N 1.35 3.65 -0.10 2.63 1.01 0.26 -4.97 120.40 124.23 3k3s s VAL 25 Ca 0.24 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 3k3s s VAL 25 Cb -0.15 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.74 3k3s s VAL 25 CO 0.09 0.53 -0.05 -0.44 0.00 0.00 0.00 175.10 175.24 3k3s s SER 26 N -1.01 2.03 -0.03 3.32 0.01 -1.26 -1.70 113.70 115.07 3k3s s SER 26 Ca 0.14 -0.26 -0.14 0.00 1.31 0.00 0.00 55.95 57.00 3k3s s SER 26 Cb -0.11 -0.71 0.02 0.00 0.21 0.00 0.00 66.02 65.43 3k3s s SER 26 CO 0.03 -0.15 0.31 0.54 0.41 0.00 0.00 173.24 174.38 3k3s s VAL 27 N 1.79 0.05 -1.42 3.43 0.11 0.17 -4.91 120.40 119.62 3k3s s VAL 27 Ca 0.05 -0.41 -0.12 0.00 -2.93 0.00 0.00 61.98 58.56 3k3s s VAL 27 Cb -0.13 -0.59 0.09 0.00 -1.53 0.00 0.00 36.38 34.23 3k3s s VAL 27 CO -0.07 -0.23 0.64 -0.67 -3.33 0.00 0.00 175.10 171.44 3k3s n ASP 28 N 1.51 -3.92 0.00 3.54 2.03 -1.26 0.28 116.55 118.73 3k3s n ASP 28 Ca -0.20 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.54 3k3s n ASP 28 Cb 0.56 -3.21 0.00 0.00 -0.72 0.00 0.00 41.12 37.75 3k3s n ASP 28 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3k3s n ASN 29 N -2.46 -0.59 -4.84 1.67 3.02 -1.26 -5.01 115.26 105.79 3k3s n ASN 29 Ca 0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.19 3k3s n ASN 29 Cb 0.53 -1.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.01 3k3s n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3k3s s GLN 30 N -0.69 3.68 0.19 3.52 -0.21 0.81 -5.12 119.66 121.84 3k3s s GLN 30 Ca 0.00 -0.04 0.06 0.00 0.02 0.00 0.00 55.36 55.39 3k3s s GLN 30 Cb 0.00 -3.25 -0.04 0.00 1.00 0.00 0.00 33.01 30.73 3k3s s GLN 30 CO 0.00 0.65 0.14 -0.08 -2.12 0.00 0.00 175.29 173.88 3k3s s THR 31 N -0.72 4.41 -0.19 -0.19 -1.32 -1.26 0.42 115.64 116.78 3k3s s THR 31 Ca 0.15 -1.19 -0.28 0.00 -1.21 0.00 0.00 61.69 59.16 3k3s s THR 31 Cb -0.13 -3.28 0.12 0.00 -1.51 0.00 0.00 72.50 67.70 3k3s s THR 31 CO 0.05 -0.17 0.97 0.54 -2.21 0.00 0.00 174.62 173.80 3k3s s VAL 32 N -1.85 0.00 -0.23 5.08 0.11 -0.69 -4.99 120.40 117.84 3k3s s VAL 32 Ca 0.31 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.31 3k3s s VAL 32 Cb -0.09 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 3k3s s VAL 32 CO 0.23 0.00 0.01 -0.89 -3.33 0.00 0.00 175.10 171.12 3k3s s THR 33 N -0.61 3.88 0.32 5.04 2.01 -1.26 -0.57 115.64 124.45 3k3s s THR 33 Ca -0.01 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 3k3s s THR 33 Cb -0.02 -2.78 -0.11 0.00 0.01 0.00 0.00 72.50 69.60 3k3s s THR 33 CO -0.00 0.39 1.49 -0.76 -0.69 0.00 0.00 174.62 175.04 3k3s s LEU 34 N 1.41 4.36 -0.02 4.42 1.43 -0.69 -4.43 118.68 125.16 3k3s s LEU 34 Ca 0.05 2.89 0.15 0.00 -1.03 0.00 0.00 54.13 56.19 3k3s s LEU 34 Cb -0.15 -3.65 -0.22 0.00 0.03 0.00 0.00 46.19 42.21 3k3s s LEU 34 CO 0.01 -0.80 0.39 0.54 0.23 0.00 0.00 176.35 176.71 3k3s n ARG 35 N 1.42 0.84 -4.29 1.70 1.74 0.12 -1.65 116.66 116.53 3k3s n ARG 35 Ca 0.04 -0.11 -0.16 0.00 -0.77 0.00 0.00 57.85 56.86 3k3s n ARG 35 Cb 0.39 -1.32 -0.10 0.00 -1.02 0.00 0.00 32.46 30.41 3k3s n ARG 35 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3k3s s GLN 36 N -2.90 1.21 0.39 5.56 1.11 -1.26 -4.90 119.66 118.88 3k3s s GLN 36 Ca -0.03 -1.57 -0.26 0.00 0.01 0.00 0.00 55.36 53.50 3k3s s GLN 36 Cb 0.10 -0.63 -0.11 0.00 -1.01 0.00 0.00 33.01 31.36 3k3s s GLN 36 CO 0.62 -0.02 1.17 -0.25 0.01 0.00 0.00 175.29 176.82 3k3s n ASP 37 N -0.32 2.09 -3.81 5.90 8.00 -1.26 -3.90 116.55 123.26 3k3s n ASP 37 Ca -0.07 1.12 -0.29 0.00 0.71 0.00 0.00 54.79 56.25 3k3s n ASP 37 Cb 0.62 -1.43 -0.16 0.00 -0.02 0.00 0.00 41.12 40.13 3k3s n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3k3s s VAL 38 N -1.18 0.96 0.58 2.53 1.01 -0.11 -4.80 120.40 119.39 3k3s s VAL 38 Ca 0.60 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 3k3s s VAL 38 Cb -0.56 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3k3s s VAL 38 CO 0.59 -0.27 1.35 0.00 0.00 0.00 0.00 175.10 176.77 3k3s n ALA 39 N 4.87 1.48 -1.61 5.51 0.00 -1.26 -0.63 120.51 128.86 3k3s n ALA 39 Ca -0.08 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3k3s n ALA 39 Cb 0.45 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 3k3s n ALA 39 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3k3s n ARG 40 N -1.32 1.50 0.00 0.00 1.85 -1.15 -1.71 116.66 115.82 3k3s n ARG 40 Ca 0.12 0.53 0.00 0.00 -1.00 0.00 0.00 57.85 57.50 3k3s n ARG 40 Cb 0.46 -1.98 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 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 1.13 2.56 3.91 2.89 0.00 0.16 -4.96 105.19 110.88 3k3s n GLY 41 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.19 3.50 0.31 1.61 3.76 -0.70 -4.76 115.29 116.83 3k3s s HIS 42 Ca 0.00 0.64 -0.09 0.00 -0.15 0.00 0.00 55.06 55.45 3k3s s HIS 42 Cb 0.00 -2.12 -0.07 0.00 1.11 0.00 0.00 32.58 31.50 3k3s s HIS 42 CO 0.00 0.04 0.65 0.15 -0.85 0.00 0.00 174.74 174.72 3k3s s LYS 43 N -4.04 3.78 0.02 1.40 1.02 -1.24 -1.16 119.74 119.52 3k3s s LYS 43 Ca 0.44 0.32 -0.02 0.00 0.02 0.00 0.00 55.97 56.74 3k3s s LYS 43 Cb -0.10 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.65 3k3s s LYS 43 CO 0.35 0.15 0.01 -0.59 -0.92 0.00 0.00 175.35 174.35 3k3s s PHE 44 N -2.09 0.27 0.13 3.18 -0.71 -0.39 -1.23 117.98 117.13 3k3s s PHE 44 Ca 0.49 -0.56 -0.30 0.00 -1.04 0.00 0.00 56.93 55.51 3k3s s PHE 44 Cb -0.11 -0.20 -0.06 0.00 -1.21 0.00 0.00 43.02 41.44 3k3s s PHE 44 CO 0.26 -0.25 1.06 0.00 -1.34 0.00 0.00 175.22 174.94 3k3s s ALA 45 N -1.98 3.31 -0.32 1.99 0.00 -0.58 -1.26 121.76 122.92 3k3s s ALA 45 Ca -0.11 0.72 0.23 0.00 0.00 0.00 0.00 51.96 52.79 3k3s s ALA 45 Cb -0.06 -3.34 0.11 0.00 0.00 0.00 0.00 23.12 19.83 3k3s s ALA 45 CO -0.03 -0.17 1.18 -0.07 0.00 0.00 0.00 175.76 176.67 3k3s h LEU 46 N 5.59 0.00 -8.07 0.00 3.38 -1.09 0.13 115.31 115.25 3k3s h LEU 46 Ca -0.43 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 3k3s h LEU 46 Cb 1.21 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 3k3s h LEU 46 CO 0.73 0.01 -0.17 0.28 0.09 0.00 0.00 178.44 179.39 3k3s s THR 47 N -3.31 0.03 0.39 0.22 -1.32 -1.25 -4.78 115.64 105.62 3k3s s THR 47 Ca 0.02 -1.28 -0.27 0.00 -1.21 0.00 0.00 61.69 58.95 3k3s s THR 47 Cb 0.09 -1.95 -0.11 0.00 -1.51 0.00 0.00 72.50 69.03 3k3s s THR 47 CO 0.76 -0.13 1.40 0.47 -2.21 0.00 0.00 174.62 174.91 3k3s n ASP 48 N -0.31 3.27 -3.84 8.08 8.00 -1.26 -3.89 116.55 126.60 3k3s n ASP 48 Ca -0.05 1.18 -0.29 0.00 0.71 0.00 0.00 54.79 56.34 3k3s n ASP 48 Cb 0.62 -1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 39.99 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 -1.14 0.99 0.60 0.53 1.01 0.64 -4.91 121.20 118.92 3k3s s ILE 49 Ca 0.57 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 3k3s s ILE 49 Cb -0.50 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3k3s s ILE 49 CO 0.61 -0.09 1.04 0.00 0.00 0.00 0.00 174.94 176.51 3k3s s ALA 50 N 1.65 2.83 0.04 9.38 0.00 -1.26 -0.24 121.76 134.16 3k3s s ALA 50 Ca -0.02 0.24 -0.38 0.00 0.00 0.00 0.00 51.96 51.80 3k3s s ALA 50 Cb -0.17 -3.18 -0.17 0.00 0.00 0.00 0.00 23.12 19.59 3k3s s ALA 50 CO -0.07 -0.76 1.32 1.17 0.00 0.00 0.00 175.76 177.42 3k3s n LYS 51 N -2.23 0.94 0.00 0.00 4.81 -1.25 -0.93 118.16 119.50 3k3s n LYS 51 Ca 0.08 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 3k3s n LYS 51 Cb 0.53 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.62 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 2.47 3.10 3.79 3.14 0.00 0.07 -4.93 105.19 112.83 3k3s n GLY 52 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.91 2.97 0.36 4.61 0.00 -0.11 -4.48 121.76 123.20 3k3s s ALA 53 Ca 0.00 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.32 3k3s s ALA 53 Cb 0.00 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.75 3k3s s ALA 53 CO 0.00 -0.26 1.48 -0.80 0.00 0.00 0.00 175.76 176.18 3k3s s ASN 54 N -1.80 6.40 -0.00 0.00 0.01 -1.26 -1.10 114.94 117.18 3k3s s ASN 54 Ca 0.63 3.00 -0.28 0.00 -0.71 0.00 0.00 52.86 55.50 3k3s s ASN 54 Cb -0.19 -2.66 -0.04 0.00 0.41 0.00 0.00 41.25 38.77 3k3s s ASN 54 CO 0.23 -0.84 0.87 -0.69 -1.51 0.00 0.00 177.10 175.16 3k3s s VAL 55 N -0.97 4.86 -0.19 1.60 1.01 -0.50 -4.85 120.40 121.36 3k3s s VAL 55 Ca 0.54 1.84 -0.01 0.00 0.00 0.00 0.00 61.98 64.34 3k3s s VAL 55 Cb -0.46 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 31.70 3k3s s VAL 55 CO 0.60 0.23 -0.11 -0.63 0.00 0.00 0.00 175.10 175.19 3k3s s ILE 56 N 0.71 2.91 -0.12 2.22 -1.09 -1.26 -1.63 121.20 122.94 3k3s s ILE 56 Ca 0.46 -0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 58.11 3k3s s ILE 56 Cb -0.20 -2.27 0.03 0.00 -1.58 0.00 0.00 42.46 38.44 3k3s s ILE 56 CO 0.25 0.48 0.31 -0.75 -1.23 0.00 0.00 174.94 174.00 3k3s s LYS 57 N 1.14 0.35 -1.28 2.79 2.20 -0.37 -1.69 119.74 122.88 3k3s s LYS 57 Ca 0.01 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3k3s s LYS 57 Cb -0.14 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 3k3s s LYS 57 CO -0.03 -0.05 0.00 0.66 -0.36 0.00 0.00 175.35 175.56 3k3s n TYR 58 N 3.02 0.00 -0.98 4.03 4.01 -1.26 -1.46 117.16 124.52 3k3s n TYR 58 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3k3s n TYR 58 Cb 0.58 -2.46 0.00 0.00 -0.31 0.00 0.00 39.34 37.14 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 -0.79 0.73 3.54 2.72 0.00 -1.26 -4.90 105.19 105.23 3k3s n GLY 59 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 2.87 -0.27 0.99 1.43 -0.53 -4.99 118.68 118.18 3k3s s LEU 60 Ca 0.00 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.27 3k3s s LEU 60 Cb 0.00 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 3k3s s LEU 60 CO 0.00 0.15 1.31 -2.16 0.23 0.00 0.00 176.35 175.88 3k3s s PRO 61 N -2.43 3.97 0.00 1.29 0.04 -1.26 -1.24 135.00 135.37 3k3s s PRO 61 Ca 0.21 1.36 0.14 0.00 0.04 0.00 0.00 61.00 62.75 3k3s s PRO 61 Cb -0.10 -3.86 -0.06 0.00 0.04 0.00 0.00 34.50 30.51 3k3s s PRO 61 CO 0.13 -1.04 0.72 0.44 0.04 0.00 0.00 177.00 177.28 3k3s n ILE 62 N 6.05 0.00 -3.63 0.56 -5.35 -0.65 -4.88 119.36 111.46 3k3s n ILE 62 Ca 0.15 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3k3s n ILE 62 Cb 0.46 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 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 1.19 -0.82 3.31 3.28 0.00 -1.25 -0.60 105.19 110.30 3k3s n GLY 63 Ca 0.05 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 3k3s n GLY 63 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3k3s s TYR 64 N -3.00 0.22 0.17 1.61 -0.85 -0.47 -1.41 117.35 113.62 3k3s s TYR 64 Ca 0.00 -0.60 -0.29 0.00 -0.52 0.00 0.00 57.07 55.66 3k3s s TYR 64 Cb 0.00 0.01 -0.07 0.00 0.38 0.00 0.00 41.96 42.27 3k3s s TYR 64 CO 0.00 -0.68 0.91 0.00 -1.52 0.00 0.00 175.55 174.26 3k3s s ALA 65 N -3.91 3.33 -0.74 9.51 0.00 -0.26 -1.26 121.76 128.43 3k3s s ALA 65 Ca 0.11 0.54 0.25 0.00 0.00 0.00 0.00 51.96 52.86 3k3s s ALA 65 Cb 0.03 -3.18 0.58 0.00 0.00 0.00 0.00 23.12 20.55 3k3s s ALA 65 CO -0.05 0.13 1.52 1.28 0.00 0.00 0.00 175.76 178.64 3k3s n LEU 66 N 2.07 0.65 -3.61 0.00 4.77 0.13 -0.75 117.00 120.25 3k3s n LEU 66 Ca -0.01 0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 3k3s n LEU 66 Cb 0.48 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3k3s n LEU 66 CO 0.50 -0.07 0.40 0.00 -1.33 0.00 0.00 177.39 176.89 3k3s s ALA 67 N -3.11 -1.38 0.18 -1.18 0.00 -1.25 -4.83 121.76 110.18 3k3s s ALA 67 Ca 0.09 0.12 -0.33 0.00 0.00 0.00 0.00 51.96 51.83 3k3s s ALA 67 Cb 0.14 0.87 -0.13 0.00 0.00 0.00 0.00 23.12 23.99 3k3s s ALA 67 CO 0.67 -0.87 1.58 -0.25 0.00 0.00 0.00 175.76 176.89 3k3s n ASP 68 N -0.40 3.20 -4.29 0.00 8.00 -1.26 -3.81 116.55 117.99 3k3s n ASP 68 Ca -0.12 1.09 -0.33 0.00 0.71 0.00 0.00 54.79 56.14 3k3s n ASP 68 Cb 0.63 -1.45 -0.15 0.00 -0.02 0.00 0.00 41.12 40.12 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 0.80 2.68 0.29 0.53 1.01 0.66 -4.88 121.20 122.29 3k3s s ILE 69 Ca 0.77 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 3k3s s ILE 69 Cb -0.65 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 39.62 3k3s s ILE 69 CO 0.39 0.52 0.79 0.00 0.00 0.00 0.00 174.94 176.64 3k3s s ALA 70 N 0.63 3.31 0.16 9.38 0.00 -1.26 -0.26 121.76 133.72 3k3s s ALA 70 Ca -0.09 0.22 -0.34 0.00 0.00 0.00 0.00 51.96 51.76 3k3s s ALA 70 Cb -0.16 -2.90 -0.15 0.00 0.00 0.00 0.00 23.12 19.91 3k3s s ALA 70 CO 0.03 0.28 1.37 0.00 0.00 0.00 0.00 175.76 177.44 3k3s n ALA 71 N 0.26 0.14 -0.66 0.00 0.00 -1.25 -1.60 120.51 117.39 3k3s n ALA 71 Ca 0.01 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3k3s n ALA 71 Cb 0.52 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 2.52 0.79 3.83 0.00 0.00 0.45 -4.82 105.19 107.96 3k3s n GLY 72 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3k3s n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k3s s GLU 73 N -0.34 4.15 0.06 1.61 2.02 -0.63 0.11 118.70 125.69 3k3s s GLU 73 Ca 0.00 0.95 -0.31 0.00 0.02 0.00 0.00 54.97 55.63 3k3s s GLU 73 Cb 0.00 -2.30 -0.10 0.00 0.10 0.00 0.00 34.13 31.83 3k3s s GLU 73 CO 0.00 0.05 1.91 1.58 0.02 0.00 0.00 175.26 178.83 3k3s n HIS 74 N -0.48 2.54 -3.67 1.61 -0.00 -1.26 -1.52 115.22 112.44 3k3s n HIS 74 Ca 0.05 -0.25 -0.38 0.00 -0.00 0.00 0.00 57.72 57.14 3k3s n HIS 74 Cb 0.54 -2.76 -0.12 0.00 -0.00 0.00 0.00 29.99 27.65 3k3s n HIS 74 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3k3s s VAL 75 N 3.70 4.64 0.00 3.57 1.01 -0.37 -4.90 120.40 128.05 3k3s s VAL 75 Ca 0.86 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3k3s s VAL 75 Cb -0.48 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3k3s s VAL 75 CO 0.41 0.15 0.00 1.57 0.00 0.00 0.00 175.10 177.22 3k3s n HIS 76 N 4.98 -0.24 0.13 5.22 -0.00 -1.26 -3.69 115.22 120.36 3k3s n HIS 76 Ca -0.14 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.73 3k3s n HIS 76 Cb 0.50 0.00 0.70 0.00 -0.00 0.00 0.00 29.99 31.19 3k3s n HIS 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k3s h ALA 77 N 1.96 2.19 -0.13 1.57 0.00 -1.97 -0.99 119.26 121.89 3k3s h ALA 77 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3k3s h ALA 77 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3k3s h ALA 77 CO 0.00 -0.37 -0.34 1.12 0.00 0.00 0.00 179.25 179.66 3k3s h HIS 78 N 0.00 0.29 0.00 0.00 -0.00 -1.96 -3.36 115.15 110.12 3k3s h HIS 78 Ca 0.14 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3k3s h HIS 78 Cb 0.57 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 3k3s h HIS 78 CO 0.00 0.57 0.00 0.27 -0.00 0.00 0.00 177.93 178.77 3k3s n ASN 79 N -4.08 0.85 -3.98 3.10 6.94 -0.86 -4.94 115.26 112.28 3k3s n ASN 79 Ca -0.01 -1.33 -0.08 0.00 -0.02 0.00 0.00 54.58 53.14 3k3s n ASN 79 Cb 0.43 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.76 3k3s n ASN 79 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3k3s s THR 80 N -0.33 0.18 -0.04 5.53 -4.23 -0.43 -0.69 115.64 115.63 3k3s s THR 80 Ca 0.00 -1.49 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 3k3s s THR 80 Cb 0.00 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 3k3s s THR 80 CO 0.00 -0.82 -0.24 -0.60 -0.54 0.00 0.00 174.62 172.42 3k3s s ARG 81 N -3.75 2.23 -0.12 3.99 3.52 -0.39 -4.44 118.95 119.99 3k3s s ARG 81 Ca 0.05 -0.85 -0.13 0.00 -0.13 0.00 0.00 55.73 54.67 3k3s s ARG 81 Cb 0.06 -1.98 -0.05 0.00 -1.56 0.00 0.00 34.95 31.42 3k3s s ARG 81 CO -0.10 0.41 0.29 0.99 -0.81 0.00 0.00 175.30 176.08 3k3s s THR 82 N -0.28 5.29 -0.06 4.11 2.01 -1.26 -1.37 115.64 124.08 3k3s s THR 82 Ca 0.01 0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.56 3k3s s THR 82 Cb -0.12 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.81 3k3s s THR 82 CO 0.02 0.47 1.02 0.59 -0.69 0.00 0.00 174.62 176.02 3k3s n ASN 83 N 2.94 2.06 0.00 3.53 3.02 0.23 -4.93 115.26 122.11 3k3s n ASN 83 Ca -0.14 -2.00 0.02 0.00 -0.03 0.00 0.00 54.58 52.43 3k3s n ASN 83 Cb 0.52 -0.02 0.13 0.00 -0.61 0.00 0.00 39.78 39.81 3k3s n ASN 83 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82