#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3k n SER 2 N 0.00 -4.15 -5.02 1.20 7.64 -1.26 -5.02 113.62 107.01 1y3k n SER 2 Ca 0.00 -0.48 -0.19 0.00 1.01 0.00 0.00 58.87 59.21 1y3k n SER 2 Cb 0.00 -3.82 0.05 0.00 -1.01 0.00 0.00 64.21 59.43 1y3k n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1y3k s SER 3 N -3.52 5.27 0.15 6.43 1.04 -1.22 -4.91 113.70 116.95 1y3k s SER 3 Ca 0.21 -0.69 -0.26 0.00 0.48 0.00 0.00 55.95 55.69 1y3k s SER 3 Cb -0.03 -0.04 -0.07 0.00 0.10 0.00 0.00 66.02 65.98 1y3k s SER 3 CO 0.52 -1.16 0.81 -0.75 0.98 0.00 0.00 173.24 173.65 1y3k s LYS 4 N -4.57 4.61 -0.27 4.02 2.20 -1.26 -1.87 119.74 122.59 1y3k s LYS 4 Ca 0.60 1.21 -0.15 0.00 -0.36 0.00 0.00 55.97 57.27 1y3k s LYS 4 Cb -0.07 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1y3k s LYS 4 CO 0.37 0.48 0.37 0.00 -0.36 0.00 0.00 175.35 176.21 1y3k s TYR 6 N 2.06 3.36 0.08 0.00 5.04 -1.00 -2.91 117.35 123.97 1y3k s TYR 6 Ca 0.15 0.65 0.05 0.00 -2.44 0.00 0.00 57.07 55.48 1y3k s TYR 6 Cb -0.16 -2.58 -0.03 0.00 0.35 0.00 0.00 41.96 39.54 1y3k s TYR 6 CO 0.10 -0.07 -0.14 0.42 -1.34 0.00 0.00 175.55 174.53 1y3k s ILE 7 N 1.51 1.10 0.10 3.14 1.01 -0.39 -0.44 121.20 127.22 1y3k s ILE 7 Ca 0.20 -1.36 0.05 0.00 0.00 0.00 0.00 60.65 59.54 1y3k s ILE 7 Cb -0.15 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1y3k s ILE 7 CO 0.09 -0.27 -0.12 -1.58 0.00 0.00 0.00 174.94 173.05 1y3k s GLN 8 N -1.90 0.90 -0.05 2.79 0.74 -0.20 -1.09 119.66 120.85 1y3k s GLN 8 Ca -0.01 -1.15 0.02 0.00 0.05 0.00 0.00 55.36 54.28 1y3k s GLN 8 Cb -0.09 -0.72 0.01 0.00 1.10 0.00 0.00 33.01 33.32 1y3k s GLN 8 CO 0.02 0.13 -0.10 0.08 -0.55 0.00 0.00 175.29 174.88 1y3k s VAL 9 N -2.11 0.91 -0.39 1.34 1.01 -1.26 -1.14 120.40 118.75 1y3k s VAL 9 Ca 0.05 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1y3k s VAL 9 Cb -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1y3k s VAL 9 CO 0.02 0.30 1.49 -0.89 0.00 0.00 0.00 175.10 176.02 1y3k s THR 10 N 0.64 3.82 0.00 3.92 2.01 -0.47 -2.85 115.64 122.70 1y3k s THR 10 Ca -0.12 0.83 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1y3k s THR 10 Cb -0.14 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1y3k s THR 10 CO 0.02 -0.68 0.00 0.61 -0.69 0.00 0.00 174.62 173.88 1y3k n GLY 11 N 5.14 0.89 7.00 4.40 0.00 -1.26 -4.82 105.19 116.54 1y3k n GLY 11 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1y3k n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1y3k n MET 12 N -0.68 0.00 -1.10 1.61 0.00 -1.13 -3.11 117.12 112.71 1y3k n MET 12 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.53 1y3k n MET 12 Cb 0.36 0.00 0.18 0.00 0.00 0.00 0.00 33.22 33.76 1y3k n MET 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1y3k n THR 13 N 0.00 2.98 -4.13 2.03 -2.24 -1.26 -4.84 114.28 106.82 1y3k n THR 13 Ca 0.00 -2.36 0.00 0.00 -2.27 0.00 0.00 64.05 59.42 1y3k n THR 13 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1y3k n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y3k s ALA 15 N -1.83 2.84 -0.12 0.00 0.00 -1.26 -4.36 121.76 117.03 1y3k s ALA 15 Ca 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 51.96 49.58 1y3k s ALA 15 Cb 0.00 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1y3k s ALA 15 CO 0.00 -3.50 0.13 0.43 0.00 0.00 0.00 175.76 172.82 1y3k n SER 16 N 8.46 -3.19 0.00 0.00 7.64 -1.25 -5.04 113.62 120.23 1y3k n SER 16 Ca 0.32 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1y3k n SER 16 Cb 0.51 -1.88 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 1y3k n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y3k h VAL 18 N 0.00 0.46 -0.95 0.00 3.04 -1.91 -2.35 116.25 114.54 1y3k h VAL 18 Ca 0.00 0.00 0.29 0.00 -1.01 0.00 0.00 66.70 65.98 1y3k h VAL 18 Cb 0.83 0.46 -0.17 0.00 -2.01 0.00 0.00 31.29 30.41 1y3k h VAL 18 CO 0.00 0.00 0.21 0.00 -1.01 0.00 0.00 177.57 176.77 1y3k h ALA 19 N 1.13 1.43 0.39 3.17 0.00 -1.93 0.30 119.26 123.74 1y3k h ALA 19 Ca 0.18 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1y3k h ALA 19 Cb 0.40 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1y3k h ALA 19 CO -0.43 -0.61 -0.19 -0.97 0.00 0.00 0.00 179.25 177.05 1y3k h ASN 20 N 0.08 -0.44 -0.69 0.00 -1.24 -1.77 -1.30 115.58 110.22 1y3k h ASN 20 Ca 0.64 -0.09 0.13 0.00 0.71 0.00 0.00 56.30 57.69 1y3k h ASN 20 Cb 1.41 0.11 -0.09 0.00 0.73 0.00 0.00 38.32 40.48 1y3k h ASN 20 CO -0.79 -0.16 0.22 0.40 -1.29 0.00 0.00 177.43 175.80 1y3k h ILE 21 N -0.73 0.64 0.19 2.57 2.04 -0.78 0.24 117.51 121.69 1y3k h ILE 21 Ca -0.05 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1y3k h ILE 21 Cb 0.51 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1y3k h ILE 21 CO 0.09 0.06 -0.51 -0.33 0.00 0.00 0.00 178.15 177.46 1y3k h GLU 22 N 0.35 -0.77 -0.66 2.37 5.08 -0.23 0.72 114.58 121.44 1y3k h GLU 22 Ca 0.37 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 1y3k h GLU 22 Cb 0.56 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1y3k h GLU 22 CO -0.41 -0.51 0.25 0.07 -1.00 0.00 0.00 179.01 177.41 1y3k h ARG 23 N -0.79 0.98 0.88 2.33 0.11 -0.84 0.55 114.38 117.59 1y3k h ARG 23 Ca -0.01 -0.17 -0.04 0.00 0.10 0.00 0.00 59.98 59.86 1y3k h ARG 23 Cb 0.78 -0.16 0.01 0.00 1.11 0.00 0.00 29.97 31.70 1y3k h ARG 23 CO -0.24 0.81 -0.42 -0.91 0.10 0.00 0.00 179.97 179.31 1y3k h ASN 24 N 0.96 -1.00 0.29 0.08 2.35 -0.41 -3.17 115.58 114.69 1y3k h ASN 24 Ca 0.22 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1y3k h ASN 24 Cb 0.20 0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1y3k h ASN 24 CO -0.02 -0.70 -0.09 0.18 -1.65 0.00 0.00 177.43 175.15 1y3k n LEU 25 N -5.59 0.54 -0.28 1.61 4.32 0.20 -4.35 117.00 113.44 1y3k n LEU 25 Ca -0.15 -0.05 0.19 0.00 -0.02 0.00 0.00 56.01 55.98 1y3k n LEU 25 Cb 0.47 -0.15 0.37 0.00 -1.62 0.00 0.00 43.42 42.49 1y3k n LEU 25 CO 0.39 0.10 0.78 -2.11 -1.22 0.00 0.00 177.39 175.33 1y3k n ARG 26 N -0.84 -0.06 0.00 3.23 1.85 0.18 -3.68 116.66 117.34 1y3k n ARG 26 Ca 0.16 1.23 0.00 0.00 -1.00 0.00 0.00 57.85 58.24 1y3k n ARG 26 Cb 0.27 -2.06 0.00 0.00 -1.05 0.00 0.00 32.46 29.61 1y3k n ARG 26 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1y3k n ARG 27 N -5.09 0.00 0.00 2.89 1.74 -1.26 -4.21 116.66 110.73 1y3k n ARG 27 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1y3k n ARG 27 Cb 0.86 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 1y3k n ARG 27 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1y3k n GLU 28 N -2.59 0.00 -1.72 5.56 0.00 -1.24 -0.13 120.64 120.52 1y3k n GLU 28 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1y3k n GLU 28 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.62 1y3k n GLU 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1y3k n GLU 29 N -0.42 3.28 0.00 5.31 0.28 -1.26 -4.45 120.64 123.37 1y3k n GLU 29 Ca 0.00 -2.85 0.00 0.00 -0.16 0.00 0.00 57.16 54.15 1y3k n GLU 29 Cb 0.00 -2.33 0.00 0.00 1.43 0.00 0.00 31.44 30.54 1y3k n GLU 29 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1y3k n GLY 30 N 1.08 0.72 3.65 -1.84 0.00 -1.17 -4.27 105.19 103.35 1y3k n GLY 30 Ca 0.54 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1y3k n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y3k s ILE 31 N -0.78 3.89 -0.03 -0.61 1.01 0.81 -2.52 121.20 122.97 1y3k s ILE 31 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1y3k s ILE 31 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1y3k s ILE 31 CO 0.00 0.26 0.01 -1.22 0.00 0.00 0.00 174.94 173.99 1y3k n TYR 32 N 1.06 0.00 -3.75 3.97 4.01 0.26 -4.35 117.16 118.36 1y3k n TYR 32 Ca -0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.51 1y3k n TYR 32 Cb 0.52 -0.15 -0.05 0.00 -0.31 0.00 0.00 39.34 39.34 1y3k n TYR 32 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1y3k s SER 33 N -3.37 -0.10 0.39 7.72 0.15 -1.19 -4.91 113.70 112.39 1y3k s SER 33 Ca -0.02 -0.51 0.05 0.00 0.70 0.00 0.00 55.95 56.17 1y3k s SER 33 Cb 0.01 0.45 -0.06 0.00 -1.71 0.00 0.00 66.02 64.71 1y3k s SER 33 CO 0.13 -0.86 0.04 -0.51 1.20 0.00 0.00 173.24 173.24 1y3k s ILE 34 N -3.85 1.48 -0.30 6.45 1.10 -1.26 -0.25 121.20 124.56 1y3k s ILE 34 Ca 0.06 -2.00 -0.29 0.00 -0.51 0.00 0.00 60.65 57.92 1y3k s ILE 34 Cb 0.02 -2.76 0.02 0.00 0.15 0.00 0.00 42.46 39.89 1y3k s ILE 34 CO -0.09 0.00 1.05 -1.48 -2.11 0.00 0.00 174.94 172.32 1y3k s LEU 35 N -3.64 3.97 -0.41 8.50 0.05 -1.26 -4.15 118.68 121.74 1y3k s LEU 35 Ca 0.31 1.08 0.04 0.00 0.05 0.00 0.00 54.13 55.61 1y3k s LEU 35 Cb 0.08 -3.52 0.17 0.00 -2.05 0.00 0.00 46.19 40.87 1y3k s LEU 35 CO 0.15 -0.83 0.36 0.54 -0.55 0.00 0.00 176.35 176.01 1y3k s VAL 36 N 3.54 0.14 -0.20 1.48 0.11 -1.26 -4.67 120.40 119.53 1y3k s VAL 36 Ca 0.44 -2.25 0.18 0.00 -2.93 0.00 0.00 61.98 57.43 1y3k s VAL 36 Cb -0.13 -1.08 0.40 0.00 -1.53 0.00 0.00 36.38 34.05 1y3k s VAL 36 CO 0.14 -1.05 1.24 0.00 -3.33 0.00 0.00 175.10 172.10 1y3k n ALA 37 N 3.13 2.79 -0.33 1.54 0.00 -0.96 -4.72 120.51 121.95 1y3k n ALA 37 Ca 0.25 -1.90 0.19 0.00 0.00 0.00 0.00 53.44 51.98 1y3k n ALA 37 Cb 0.47 -0.77 0.44 0.00 0.00 0.00 0.00 19.45 19.59 1y3k n ALA 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y3k h LEU 38 N 1.52 0.57 -1.11 0.00 5.85 -1.88 0.32 115.31 120.58 1y3k h LEU 38 Ca -0.30 0.10 0.42 0.00 0.84 0.00 0.00 57.88 58.94 1y3k h LEU 38 Cb 1.41 0.01 -0.16 0.00 0.37 0.00 0.00 40.66 42.29 1y3k h LEU 38 CO -0.00 0.13 0.66 0.80 -0.34 0.00 0.00 178.44 179.68 1y3k n MET 39 N -4.72 -0.05 0.00 1.25 1.56 -1.26 -3.15 117.12 110.75 1y3k n MET 39 Ca 0.25 1.26 0.00 0.00 -0.27 0.00 0.00 57.70 58.95 1y3k n MET 39 Cb 0.78 -2.36 0.00 0.00 2.15 0.00 0.00 33.22 33.78 1y3k n MET 39 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1y3k n ALA 40 N -2.40 1.99 0.00 -5.12 0.00 -0.74 -5.07 120.51 109.18 1y3k n ALA 40 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1y3k n ALA 40 Cb 1.34 0.42 0.00 0.00 0.00 0.00 0.00 19.45 21.22 1y3k n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y3k n GLY 41 N 3.23 0.56 3.42 0.00 0.00 1.00 -4.96 105.19 108.44 1y3k n GLY 41 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1y3k n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y3k s LYS 42 N 0.00 1.90 -0.20 1.61 3.01 -0.38 -4.19 119.74 121.48 1y3k s LYS 42 Ca 0.00 -2.14 -0.04 0.00 -1.01 0.00 0.00 55.97 52.77 1y3k s LYS 42 Cb 0.00 -0.19 0.10 0.00 -1.01 0.00 0.00 37.83 36.73 1y3k s LYS 42 CO 0.00 -0.58 0.34 0.00 0.51 0.00 0.00 175.35 175.61 1y3k s ALA 43 N -3.28 -0.85 -0.73 5.17 0.00 -0.25 -2.26 121.76 119.56 1y3k s ALA 43 Ca 0.30 0.96 0.04 0.00 0.00 0.00 0.00 51.96 53.26 1y3k s ALA 43 Cb 0.02 -1.37 0.27 0.00 0.00 0.00 0.00 23.12 22.04 1y3k s ALA 43 CO 0.21 -0.98 0.95 0.39 0.00 0.00 0.00 175.76 176.32 1y3k n GLU 44 N 5.36 3.09 -2.84 0.00 1.02 -1.26 -1.27 120.64 124.73 1y3k n GLU 44 Ca -0.06 -4.68 -0.31 0.00 -0.02 0.00 0.00 57.16 52.09 1y3k n GLU 44 Cb 0.50 -2.31 -0.04 0.00 -0.02 0.00 0.00 31.44 29.56 1y3k n GLU 44 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y3k s VAL 45 N -2.85 4.68 -0.05 2.62 0.11 -1.15 -4.07 120.40 119.69 1y3k s VAL 45 Ca 0.39 0.88 0.04 0.00 -2.93 0.00 0.00 61.98 60.37 1y3k s VAL 45 Cb 0.15 -3.69 -0.00 0.00 -1.53 0.00 0.00 36.38 31.31 1y3k s VAL 45 CO -0.01 -0.45 -0.18 -0.60 -3.33 0.00 0.00 175.10 170.54 1y3k s ARG 46 N -3.61 1.97 0.00 1.54 3.52 0.66 -0.21 118.95 122.82 1y3k s ARG 46 Ca 0.54 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 1y3k s ARG 46 Cb -0.10 -1.66 0.00 0.00 -1.56 0.00 0.00 34.95 31.63 1y3k s ARG 46 CO 0.26 0.21 0.00 2.48 -0.81 0.00 0.00 175.30 177.44 1y3k n TYR 47 N 3.28 -0.08 -3.42 5.12 4.11 -0.78 -0.58 117.16 124.81 1y3k n TYR 47 Ca -0.19 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.48 1y3k n TYR 47 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.76 1y3k n TYR 47 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1y3k s ASN 48 N -0.36 2.18 -0.84 9.48 2.47 -1.05 -3.45 114.94 123.37 1y3k s ASN 48 Ca 0.00 -1.79 -0.23 0.00 0.42 0.00 0.00 52.86 51.26 1y3k s ASN 48 Cb 0.00 0.06 -0.15 0.00 -1.45 0.00 0.00 41.25 39.71 1y3k s ASN 48 CO 0.00 -0.30 1.91 -0.81 -3.72 0.00 0.00 177.10 174.18 1y3k n PRO 49 N 4.28 1.45 0.00 0.43 -0.04 -1.26 -3.12 135.00 136.74 1y3k n PRO 49 Ca 0.10 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 1y3k n PRO 49 Cb 0.41 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 1y3k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y3k n ALA 50 N 9.36 0.92 -0.02 0.55 0.00 -1.26 -4.87 120.51 125.19 1y3k n ALA 50 Ca 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 1y3k n ALA 50 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 1y3k n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y3k n VAL 51 N -2.04 1.21 -0.20 0.00 0.31 -1.18 -4.84 118.33 111.58 1y3k n VAL 51 Ca 0.00 0.27 0.02 0.00 -0.01 0.00 0.00 64.34 64.62 1y3k n VAL 51 Cb 0.00 -1.90 0.27 0.00 -0.91 0.00 0.00 33.84 31.31 1y3k n VAL 51 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 1y3k h ILE 52 N -0.45 1.15 -1.89 2.52 2.10 -1.74 -3.49 117.51 115.71 1y3k h ILE 52 Ca 0.00 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.61 1y3k h ILE 52 Cb 0.45 0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.30 1y3k h ILE 52 CO 0.00 0.17 -0.20 0.00 -1.08 0.00 0.00 178.15 177.04 1y3k n GLN 53 N -4.44 -1.16 -0.23 2.19 1.13 -1.26 -4.48 117.38 109.13 1y3k n GLN 53 Ca 0.09 1.22 0.03 0.00 -1.94 0.00 0.00 57.00 56.40 1y3k n GLN 53 Cb 0.08 -1.00 0.13 0.00 0.11 0.00 0.00 30.24 29.56 1y3k n GLN 53 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1y3k h PRO 54 N 0.90 0.15 0.00 -1.09 0.13 -1.94 -0.13 132.00 130.03 1y3k h PRO 54 Ca 0.00 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1y3k h PRO 54 Cb 0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.09 1y3k h PRO 54 CO 0.00 0.10 -0.06 -1.00 -0.23 0.00 0.00 178.00 176.81 1y3k h PRO 55 N 0.15 0.00 0.05 1.56 0.13 -2.00 -2.90 132.00 128.99 1y3k h PRO 55 Ca 0.36 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.22 1y3k h PRO 55 Cb 0.61 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.77 1y3k h PRO 55 CO -0.55 0.06 -1.10 0.52 -0.23 0.00 0.00 178.00 176.70 1y3k h MET 56 N 0.00 0.66 -0.93 0.86 2.86 -1.26 -3.19 114.93 113.93 1y3k h MET 56 Ca -0.00 -0.78 0.09 0.00 -2.06 0.00 0.00 59.70 56.96 1y3k h MET 56 Cb 0.11 0.23 -0.12 0.00 0.06 0.00 0.00 31.60 31.89 1y3k h MET 56 CO 0.01 1.34 -0.56 0.82 1.06 0.00 0.00 176.91 179.57 1y3k h ILE 57 N 0.33 0.00 -0.35 -1.22 2.04 -1.23 0.12 117.51 117.19 1y3k h ILE 57 Ca -0.15 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.75 1y3k h ILE 57 Cb 1.76 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 1y3k h ILE 57 CO 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 178.03 1y3k h ALA 58 N 0.53 -0.50 -0.40 1.87 0.00 -1.64 -0.92 119.26 118.20 1y3k h ALA 58 Ca 0.17 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1y3k h ALA 58 Cb 0.45 1.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 1y3k h ALA 58 CO -0.90 -0.69 -0.30 0.93 0.00 0.00 0.00 179.25 178.29 1y3k h GLU 59 N -0.16 -0.22 -0.86 0.00 4.39 -1.20 0.31 114.58 116.84 1y3k h GLU 59 Ca 0.06 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.00 1y3k h GLU 59 Cb 0.32 0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 28.87 1y3k h GLU 59 CO -0.42 -0.15 0.13 0.35 -1.16 0.00 0.00 179.01 177.77 1y3k h PHE 60 N -0.23 0.17 -0.25 4.33 3.57 -0.57 0.52 116.94 124.49 1y3k h PHE 60 Ca 0.18 0.06 -0.17 0.00 3.53 0.00 0.00 57.97 61.56 1y3k h PHE 60 Cb 0.52 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1y3k h PHE 60 CO -0.52 -0.26 -0.53 0.82 -2.23 0.00 0.00 178.31 175.59 1y3k h ILE 61 N 0.14 1.30 0.00 1.41 2.04 0.74 -2.77 117.51 120.36 1y3k h ILE 61 Ca 0.52 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1y3k h ILE 61 Cb 1.03 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1y3k h ILE 61 CO -0.71 0.56 0.00 0.54 0.00 0.00 0.00 178.15 178.54 1y3k n ARG 62 N -3.99 0.18 -0.40 2.37 1.74 0.80 -2.98 116.66 114.38 1y3k n ARG 62 Ca -0.04 0.16 0.33 0.00 -0.77 0.00 0.00 57.85 57.53 1y3k n ARG 62 Cb 0.61 -1.50 0.60 0.00 -1.02 0.00 0.00 32.46 31.15 1y3k n ARG 62 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1y3k h GLU 63 N 0.00 0.16 0.00 5.56 4.11 -0.95 0.24 114.58 123.69 1y3k h GLU 63 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1y3k h GLU 63 Cb 0.09 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1y3k h GLU 63 CO 0.00 0.10 -0.36 -0.07 0.07 0.00 0.00 179.01 178.75 1y3k h LEU 64 N 0.16 0.00 0.00 3.06 3.38 -1.80 -3.48 115.31 116.64 1y3k h LEU 64 Ca 0.77 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.69 1y3k h LEU 64 Cb 2.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.02 1y3k h LEU 64 CO -0.43 0.02 0.00 0.61 0.09 0.00 0.00 178.44 178.74 1y3k n GLY 65 N 1.21 0.48 3.86 0.83 0.00 0.83 -5.06 105.19 107.33 1y3k n GLY 65 Ca 0.03 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1y3k n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y3k s PHE 66 N -2.00 3.44 -1.42 1.61 0.40 -1.26 -4.97 117.98 113.78 1y3k s PHE 66 Ca 0.00 1.21 -0.12 0.00 -0.60 0.00 0.00 56.93 57.42 1y3k s PHE 66 Cb 0.00 -2.57 0.07 0.00 0.51 0.00 0.00 43.02 41.03 1y3k s PHE 66 CO 0.00 -0.14 2.22 0.41 0.70 0.00 0.00 175.22 178.40 1y3k n GLY 67 N -1.18 4.55 3.90 4.36 0.00 -1.26 -4.80 105.19 110.76 1y3k n GLY 67 Ca 0.04 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 1y3k n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3k s ALA 68 N 2.05 3.25 -0.22 4.61 0.00 -1.26 -1.36 121.76 128.82 1y3k s ALA 68 Ca 0.48 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.88 1y3k s ALA 68 Cb 0.13 -2.73 0.10 0.00 0.00 0.00 0.00 23.12 20.62 1y3k s ALA 68 CO -0.06 -0.69 0.46 -0.08 0.00 0.00 0.00 175.76 175.39 1y3k s THR 69 N -2.99 -0.72 -0.14 0.00 -1.32 -0.30 -4.97 115.64 105.20 1y3k s THR 69 Ca 0.53 0.12 -0.05 0.00 -1.21 0.00 0.00 61.69 61.07 1y3k s THR 69 Cb -0.11 -0.74 -0.04 0.00 -1.51 0.00 0.00 72.50 70.10 1y3k s THR 69 CO 0.47 0.04 0.06 0.54 -2.21 0.00 0.00 174.62 173.53 1y3k s VAL 70 N 2.67 4.77 0.08 5.08 0.11 -1.26 -1.04 120.40 130.81 1y3k s VAL 70 Ca -0.01 -0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 58.95 1y3k s VAL 70 Cb -0.12 -3.08 -0.03 0.00 -1.53 0.00 0.00 36.38 31.61 1y3k s VAL 70 CO -0.14 0.55 0.05 0.27 -3.33 0.00 0.00 175.10 172.49 1y3k s ILE 71 N -0.35 0.17 0.00 7.04 -0.00 0.41 -5.00 121.20 123.47 1y3k s ILE 71 Ca 0.09 -1.70 0.00 0.00 -0.00 0.00 0.00 60.65 59.04 1y3k s ILE 71 Cb -0.12 -1.63 0.00 0.00 -0.00 0.00 0.00 42.46 40.71 1y3k s ILE 71 CO 0.02 -0.78 0.00 -1.84 -0.00 0.00 0.00 174.94 172.34 1y3k n GLU 72 N 0.02 0.68 0.00 0.37 0.00 -1.26 -2.39 120.64 118.05 1y3k n GLU 72 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.04 1y3k n GLU 72 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.06 1y3k n GLU 72 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1y3k n ASN 73 N -0.71 0.00 -0.00 -1.84 0.23 -1.26 -4.53 115.26 107.15 1y3k n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1y3k n ASN 73 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1y3k n ASN 73 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1y3k n ILE 74 N -0.43 1.02 -3.83 1.53 -0.00 -1.26 -5.03 119.36 111.36 1y3k n ILE 74 Ca 0.00 -1.03 -0.07 0.00 -0.00 0.00 0.00 62.75 61.66 1y3k n ILE 74 Cb 0.00 0.48 0.01 0.00 -0.00 0.00 0.00 39.64 40.13 1y3k n ILE 74 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1y3k s GLU 75 N -1.04 1.83 0.00 0.38 2.12 -1.26 -5.12 118.70 115.62 1y3k s GLU 75 Ca 0.01 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.20 1y3k s GLU 75 Cb 0.01 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.94 1y3k s GLU 75 CO 0.00 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.28 1y3k n GLY 76 N -0.55 -1.24 0.00 -1.50 0.00 -1.26 -4.74 105.19 95.91 1y3k n GLY 76 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1y3k n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19