#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3k s SER 2 N 0.00 -0.43 0.15 0.53 1.04 -1.25 -4.65 113.70 109.09 1y3k s SER 2 Ca 0.00 0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.48 1y3k s SER 2 Cb 0.00 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1y3k s SER 2 CO 0.00 -0.66 0.16 -0.94 0.98 0.00 0.00 173.24 172.78 1y3k s SER 3 N -2.29 0.18 -0.25 7.02 1.04 -0.20 -4.09 113.70 115.11 1y3k s SER 3 Ca 0.02 -1.08 -0.22 0.00 0.48 0.00 0.00 55.95 55.15 1y3k s SER 3 Cb -0.01 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1y3k s SER 3 CO -0.07 -0.81 0.71 -0.54 0.98 0.00 0.00 173.24 173.50 1y3k s LYS 4 N -4.02 4.13 -0.22 4.02 1.02 -1.26 -0.55 119.74 122.85 1y3k s LYS 4 Ca 0.22 0.69 -0.25 0.00 0.02 0.00 0.00 55.97 56.65 1y3k s LYS 4 Cb 0.06 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 1y3k s LYS 4 CO 0.02 -0.47 0.83 0.00 -0.92 0.00 0.00 175.35 174.82 1y3k s TYR 6 N 2.61 3.23 0.01 0.00 6.14 -0.44 -2.50 117.35 126.40 1y3k s TYR 6 Ca 0.36 0.30 0.07 0.00 0.64 0.00 0.00 57.07 58.44 1y3k s TYR 6 Cb -0.16 -2.64 -0.03 0.00 0.42 0.00 0.00 41.96 39.56 1y3k s TYR 6 CO 0.09 -0.31 -0.20 0.42 0.64 0.00 0.00 175.55 176.19 1y3k s ILE 7 N 2.10 2.63 0.15 3.14 -1.09 0.14 -0.20 121.20 128.07 1y3k s ILE 7 Ca 0.15 -1.09 0.11 0.00 -2.23 0.00 0.00 60.65 57.58 1y3k s ILE 7 Cb -0.16 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1y3k s ILE 7 CO 0.11 0.44 -0.24 -1.58 -1.23 0.00 0.00 174.94 172.44 1y3k s GLN 8 N -1.10 1.53 -0.02 2.79 0.74 0.02 -1.49 119.66 122.13 1y3k s GLN 8 Ca 0.13 -1.37 -0.03 0.00 0.05 0.00 0.00 55.36 54.13 1y3k s GLN 8 Cb -0.10 -1.93 0.00 0.00 1.10 0.00 0.00 33.01 32.08 1y3k s GLN 8 CO 0.03 0.44 0.08 0.08 -0.55 0.00 0.00 175.29 175.36 1y3k s VAL 9 N -1.28 0.03 -0.81 1.34 1.01 -1.26 -1.08 120.40 118.35 1y3k s VAL 9 Ca 0.17 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 1y3k s VAL 9 Cb -0.09 -0.19 0.21 0.00 0.00 0.00 0.00 36.38 36.30 1y3k s VAL 9 CO 0.08 -0.13 0.72 -0.89 0.00 0.00 0.00 175.10 174.88 1y3k s THR 10 N -0.38 5.15 0.00 3.92 2.01 -1.25 -4.45 115.64 120.64 1y3k s THR 10 Ca -0.04 -2.73 0.00 0.00 0.31 0.00 0.00 61.69 59.23 1y3k s THR 10 Cb -0.03 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1y3k s THR 10 CO 0.00 -1.01 0.00 0.61 -0.69 0.00 0.00 174.62 173.53 1y3k n GLY 11 N 3.68 0.62 0.19 4.40 0.00 -1.26 -4.88 105.19 107.93 1y3k n GLY 11 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 1y3k n GLY 11 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1y3k h MET 12 N 0.00 0.59 -3.55 1.61 -1.53 -1.90 -3.36 114.93 106.80 1y3k h MET 12 Ca 0.00 -0.58 -0.46 0.00 -3.44 0.00 0.00 59.70 55.23 1y3k h MET 12 Cb 0.00 0.15 0.02 0.00 -0.55 0.00 0.00 31.60 31.22 1y3k h MET 12 CO 0.00 1.19 2.73 -2.37 0.14 0.00 0.00 176.91 178.60 1y3k n THR 13 N -3.83 2.59 -0.06 -0.77 5.66 -1.26 -4.33 114.28 112.27 1y3k n THR 13 Ca -0.08 -1.64 -0.09 0.00 -3.05 0.00 0.00 64.05 59.19 1y3k n THR 13 Cb 0.81 -2.22 -0.03 0.00 -1.55 0.00 0.00 70.33 67.34 1y3k n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y3k n ALA 15 N -4.18 0.00 -1.89 0.00 0.00 -1.26 -4.98 120.51 108.21 1y3k n ALA 15 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.34 1y3k n ALA 15 Cb 0.44 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.97 1y3k n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y3k n SER 16 N -0.59 1.14 -0.12 0.00 7.64 -1.26 -4.85 113.62 115.57 1y3k n SER 16 Ca 0.00 -2.63 -0.08 0.00 1.01 0.00 0.00 58.87 57.18 1y3k n SER 16 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 0.51 1.22 -0.93 0.00 3.04 -1.89 -3.15 116.25 115.05 1y3k h VAL 18 Ca 0.15 -0.72 0.26 0.00 -1.01 0.00 0.00 66.70 65.39 1y3k h VAL 18 Cb -0.04 1.25 -0.14 0.00 -2.01 0.00 0.00 31.29 30.35 1y3k h VAL 18 CO -0.05 0.23 0.38 0.00 -1.01 0.00 0.00 177.57 177.13 1y3k h ALA 19 N 0.86 1.55 -0.11 3.17 0.00 -1.87 0.59 119.26 123.46 1y3k h ALA 19 Ca 0.07 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1y3k h ALA 19 Cb 0.30 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1y3k h ALA 19 CO 0.00 -0.48 0.03 -0.97 0.00 0.00 0.00 179.25 177.83 1y3k h ASN 20 N 0.29 0.01 -0.53 0.00 -1.24 -1.50 -0.89 115.58 111.72 1y3k h ASN 20 Ca 0.62 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.60 1y3k h ASN 20 Cb 1.31 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 40.36 1y3k h ASN 20 CO -0.62 0.03 0.13 0.40 -1.29 0.00 0.00 177.43 176.08 1y3k h ILE 21 N 0.08 1.24 -0.23 2.57 5.03 -0.10 -1.08 117.51 125.01 1y3k h ILE 21 Ca 0.05 -0.86 0.06 0.00 -0.12 0.00 0.00 64.86 63.99 1y3k h ILE 21 Cb 0.04 0.78 -0.07 0.00 -3.03 0.00 0.00 36.82 34.54 1y3k h ILE 21 CO -0.06 0.32 -0.28 -0.33 -0.68 0.00 0.00 178.15 177.11 1y3k h GLU 22 N 0.75 -0.28 0.00 2.37 5.08 -0.14 0.39 114.58 122.74 1y3k h GLU 22 Ca 0.17 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1y3k h GLU 22 Cb 0.33 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1y3k h GLU 22 CO 0.00 -0.19 -0.01 0.00 -1.00 0.00 0.00 179.01 177.81 1y3k h ARG 23 N -0.29 0.00 0.05 2.33 2.47 -0.74 0.15 114.38 118.35 1y3k h ARG 23 Ca 0.13 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1y3k h ARG 23 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1y3k h ARG 23 CO -0.40 0.01 -0.03 -0.97 0.56 0.00 0.00 179.97 179.14 1y3k h ASN 24 N 0.00 -0.06 0.46 7.04 -1.24 0.37 -3.38 115.58 118.77 1y3k h ASN 24 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1y3k h ASN 24 Cb 0.04 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1y3k h ASN 24 CO 0.00 0.30 0.00 -0.11 -1.29 0.00 0.00 177.43 176.33 1y3k n LEU 25 N -4.12 0.00 -0.19 0.34 7.94 0.11 -3.98 117.00 117.10 1y3k n LEU 25 Ca -0.01 0.46 0.10 0.00 -1.11 0.00 0.00 56.01 55.46 1y3k n LEU 25 Cb 0.03 -0.46 0.20 0.00 0.53 0.00 0.00 43.42 43.72 1y3k n LEU 25 CO 0.02 -0.23 0.48 -2.11 -1.11 0.00 0.00 177.39 174.44 1y3k n ARG 26 N -1.46 -0.04 0.00 1.96 1.85 0.49 -3.97 116.66 115.49 1y3k n ARG 26 Ca 0.04 0.84 0.00 0.00 -1.00 0.00 0.00 57.85 57.73 1y3k n ARG 26 Cb 0.16 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 1y3k n ARG 26 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1y3k n ARG 27 N -4.63 0.00 -1.65 2.89 1.85 -1.26 -4.54 116.66 109.32 1y3k n ARG 27 Ca 0.15 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.60 1y3k n ARG 27 Cb 0.50 -0.02 0.02 0.00 -1.05 0.00 0.00 32.46 31.91 1y3k n ARG 27 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1y3k n GLU 28 N 0.00 1.46 0.00 2.89 -0.58 -1.25 -4.37 120.64 118.78 1y3k n GLU 28 Ca 0.00 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1y3k n GLU 28 Cb 0.14 -2.23 0.00 0.00 -0.57 0.00 0.00 31.44 28.77 1y3k n GLU 28 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1y3k n GLU 29 N -0.28 0.00 -0.79 3.49 0.00 -1.26 -1.78 120.64 120.02 1y3k n GLU 29 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.19 1y3k n GLU 29 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.76 1y3k n GLU 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1y3k n GLY 30 N 0.00 2.78 3.81 8.31 0.00 -1.26 -4.90 105.19 113.94 1y3k n GLY 30 Ca 0.00 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 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 0.60 5.04 -0.11 -0.61 1.01 -0.74 -2.21 121.20 124.19 1y3k s ILE 31 Ca 0.39 0.87 0.09 0.00 0.00 0.00 0.00 60.65 62.00 1y3k s ILE 31 Cb 0.19 -3.74 -0.13 0.00 0.01 0.00 0.00 42.46 38.79 1y3k s ILE 31 CO 0.00 0.53 0.02 -1.22 0.00 0.00 0.00 174.94 174.27 1y3k n TYR 32 N 2.19 0.00 -3.64 3.97 4.01 0.18 -4.45 117.16 119.42 1y3k n TYR 32 Ca -0.12 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.49 1y3k n TYR 32 Cb 0.52 -0.53 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 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 -4.44 -0.31 0.62 7.72 0.15 -1.15 -4.93 113.70 111.36 1y3k s SER 33 Ca -0.07 0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 1y3k s SER 33 Cb 0.03 0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1y3k s SER 33 CO 0.43 -0.69 0.89 0.27 1.20 0.00 0.00 173.24 175.33 1y3k s ILE 34 N -2.58 2.54 -0.21 6.45 -0.00 -1.26 -0.61 121.20 125.53 1y3k s ILE 34 Ca -0.05 -0.46 -0.25 0.00 -0.00 0.00 0.00 60.65 59.90 1y3k s ILE 34 Cb -0.01 -3.02 -0.01 0.00 -0.00 0.00 0.00 42.46 39.42 1y3k s ILE 34 CO -0.03 -0.02 0.82 -1.48 -0.00 0.00 0.00 174.94 174.23 1y3k s LEU 35 N -4.99 4.13 -0.28 0.37 2.34 -1.26 -3.77 118.68 115.21 1y3k s LEU 35 Ca 0.58 1.09 0.01 0.00 0.06 0.00 0.00 54.13 55.87 1y3k s LEU 35 Cb -0.11 -3.19 0.17 0.00 -0.56 0.00 0.00 46.19 42.50 1y3k s LEU 35 CO 0.41 -0.45 0.50 0.54 -1.06 0.00 0.00 176.35 176.30 1y3k s VAL 36 N 2.48 -0.82 -0.35 1.48 0.11 -1.26 -4.71 120.40 117.33 1y3k s VAL 36 Ca 0.36 -0.08 0.15 0.00 -2.93 0.00 0.00 61.98 59.48 1y3k s VAL 36 Cb -0.16 -0.95 0.41 0.00 -1.53 0.00 0.00 36.38 34.15 1y3k s VAL 36 CO 0.10 -0.09 0.92 0.00 -3.33 0.00 0.00 175.10 172.70 1y3k n ALA 37 N 5.40 2.59 0.21 1.54 0.00 -0.14 -4.69 120.51 125.40 1y3k n ALA 37 Ca -0.00 -2.98 0.16 0.00 0.00 0.00 0.00 53.44 50.62 1y3k n ALA 37 Cb 0.51 -0.95 0.82 0.00 0.00 0.00 0.00 19.45 19.83 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 2.92 0.00 -1.41 0.00 5.85 -1.95 0.18 115.31 120.89 1y3k h LEU 38 Ca -0.05 0.00 0.46 0.00 0.84 0.00 0.00 57.88 59.13 1y3k h LEU 38 Cb 1.12 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.04 1y3k h LEU 38 CO 0.43 0.00 0.95 1.15 -0.34 0.00 0.00 178.44 180.63 1y3k n MET 39 N -3.90 -0.02 0.00 1.25 0.00 -1.26 -3.72 117.12 109.46 1y3k n MET 39 Ca 0.01 1.10 0.00 0.00 0.00 0.00 0.00 57.70 58.81 1y3k n MET 39 Cb 0.29 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 31.25 1y3k n MET 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1y3k n ALA 40 N -2.62 2.61 0.00 3.17 0.00 -0.77 -5.08 120.51 117.82 1y3k n ALA 40 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1y3k n ALA 40 Cb 1.55 0.12 0.00 0.00 0.00 0.00 0.00 19.45 21.12 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 1.92 0.28 3.37 0.00 0.00 0.55 -4.89 105.19 106.42 1y3k n GLY 41 Ca 0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1y3k n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y3k n LYS 42 N 0.00 0.51 -3.69 1.61 4.01 -0.83 -4.24 118.16 115.53 1y3k n LYS 42 Ca 0.00 -3.48 -0.11 0.00 -0.51 0.00 0.00 58.31 54.21 1y3k n LYS 42 Cb 0.00 2.25 -0.11 0.00 -0.51 0.00 0.00 35.03 36.65 1y3k n LYS 42 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1y3k s ALA 43 N -3.23 -0.87 -0.46 7.82 0.00 -0.56 -0.97 121.76 123.49 1y3k s ALA 43 Ca 0.28 1.29 0.06 0.00 0.00 0.00 0.00 51.96 53.60 1y3k s ALA 43 Cb 0.01 -0.98 0.21 0.00 0.00 0.00 0.00 23.12 22.36 1y3k s ALA 43 CO 0.20 -0.45 0.48 -0.85 0.00 0.00 0.00 175.76 175.14 1y3k n GLU 44 N 4.76 0.86 -2.87 0.00 0.28 -1.26 -0.69 120.64 121.72 1y3k n GLU 44 Ca -0.17 -3.52 -0.36 0.00 -0.16 0.00 0.00 57.16 52.95 1y3k n GLU 44 Cb 0.52 -1.63 -0.06 0.00 1.43 0.00 0.00 31.44 31.70 1y3k n GLU 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1y3k s VAL 45 N -0.92 4.32 -0.20 3.84 0.11 -1.04 -4.24 120.40 122.28 1y3k s VAL 45 Ca 0.34 1.65 -0.07 0.00 -2.93 0.00 0.00 61.98 60.96 1y3k s VAL 45 Cb 0.10 -3.92 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 1y3k s VAL 45 CO -0.14 0.10 0.06 -0.60 -3.33 0.00 0.00 175.10 171.19 1y3k s ARG 46 N -2.18 3.91 0.32 1.54 3.52 0.22 -0.13 118.95 126.15 1y3k s ARG 46 Ca 0.50 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.75 1y3k s ARG 46 Cb -0.17 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1y3k s ARG 46 CO 0.22 0.18 0.12 1.52 -0.81 0.00 0.00 175.30 176.52 1y3k s TYR 47 N 0.63 1.71 -0.39 5.12 1.13 0.28 -0.65 117.35 125.18 1y3k s TYR 47 Ca 0.03 -1.22 0.02 0.00 -1.41 0.00 0.00 57.07 54.50 1y3k s TYR 47 Cb -0.13 -1.03 0.11 0.00 -1.10 0.00 0.00 41.96 39.82 1y3k s TYR 47 CO 0.01 -0.31 0.15 1.21 -2.51 0.00 0.00 175.55 174.10 1y3k s ASN 48 N -3.44 4.25 -1.14 -0.18 2.47 -0.94 -1.03 114.94 114.94 1y3k s ASN 48 Ca 0.34 -2.31 -0.23 0.00 0.42 0.00 0.00 52.86 51.07 1y3k s ASN 48 Cb 0.06 -1.32 -0.11 0.00 -1.45 0.00 0.00 41.25 38.44 1y3k s ASN 48 CO 0.16 -0.33 1.94 -0.81 -3.72 0.00 0.00 177.10 174.33 1y3k n PRO 49 N 4.00 1.49 0.05 0.43 -0.04 -1.26 -3.66 135.00 136.02 1y3k n PRO 49 Ca 0.04 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1y3k n PRO 49 Cb 0.38 -3.66 0.00 0.00 -0.04 0.00 0.00 33.50 30.18 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 14.08 2.44 -0.02 0.55 0.00 -1.26 -5.00 120.51 131.29 1y3k n ALA 50 Ca 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.83 1y3k n ALA 50 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.81 0.56 -0.32 0.00 0.31 -1.24 -4.82 118.33 110.01 1y3k n VAL 51 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.42 1y3k n VAL 51 Cb 0.00 -1.63 0.25 0.00 -0.91 0.00 0.00 33.84 31.55 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 -0.23 0.77 -1.68 2.52 2.10 -1.93 -3.48 117.51 115.57 1y3k h ILE 52 Ca -0.13 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.56 1y3k h ILE 52 Cb 0.95 -0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.64 1y3k h ILE 52 CO -0.08 0.13 -0.09 1.67 -1.08 0.00 0.00 178.15 178.70 1y3k n GLN 53 N -4.79 -0.51 -0.27 2.19 -0.06 -1.26 -4.45 117.38 108.23 1y3k n GLN 53 Ca 0.19 0.82 0.07 0.00 -2.00 0.00 0.00 57.00 56.08 1y3k n GLN 53 Cb 0.45 -0.59 0.20 0.00 -4.06 0.00 0.00 30.24 26.23 1y3k n GLN 53 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1y3k h PRO 54 N 0.40 0.17 -0.88 3.69 0.13 -1.95 0.39 132.00 133.96 1y3k h PRO 54 Ca 0.00 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.18 1y3k h PRO 54 Cb 0.00 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.04 1y3k h PRO 54 CO 0.00 0.11 0.57 -1.00 -0.23 0.00 0.00 178.00 177.46 1y3k h PRO 55 N 0.18 0.98 -0.38 1.56 0.13 -2.01 -2.61 132.00 129.85 1y3k h PRO 55 Ca 0.45 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.47 1y3k h PRO 55 Cb 0.83 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1y3k h PRO 55 CO -0.62 0.65 0.04 0.52 -0.23 0.00 0.00 178.00 178.36 1y3k h MET 56 N 1.01 0.64 -0.63 0.86 2.86 -1.14 -2.42 114.93 116.10 1y3k h MET 56 Ca 0.37 -0.18 0.08 0.00 -2.06 0.00 0.00 59.70 57.91 1y3k h MET 56 Cb 0.16 -0.07 -0.11 0.00 0.06 0.00 0.00 31.60 31.65 1y3k h MET 56 CO -0.13 0.71 -0.50 0.82 1.06 0.00 0.00 176.91 178.87 1y3k h ILE 57 N 0.47 0.04 -0.19 -1.22 2.04 -1.10 0.23 117.51 117.77 1y3k h ILE 57 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1y3k h ILE 57 Cb 0.40 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 1y3k h ILE 57 CO 0.01 0.00 -0.48 0.00 0.00 0.00 0.00 178.15 177.68 1y3k h ALA 58 N 0.45 -0.81 -0.47 1.87 0.00 -1.46 -2.26 119.26 116.58 1y3k h ALA 58 Ca 0.16 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1y3k h ALA 58 Cb 0.55 1.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1y3k h ALA 58 CO -0.73 -1.00 0.21 0.93 0.00 0.00 0.00 179.25 178.66 1y3k h GLU 59 N -0.46 0.40 -0.98 0.00 4.39 -0.74 0.23 114.58 117.42 1y3k h GLU 59 Ca 0.04 -0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.03 1y3k h GLU 59 Cb 0.58 -0.09 -0.15 0.00 -0.10 0.00 0.00 28.75 28.99 1y3k h GLU 59 CO -0.43 0.26 0.48 0.35 -1.16 0.00 0.00 179.01 178.51 1y3k h PHE 60 N 0.41 0.77 -0.00 4.33 3.04 -0.43 0.22 116.94 125.28 1y3k h PHE 60 Ca 0.22 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 62.14 1y3k h PHE 60 Cb 0.17 -0.18 0.01 0.00 2.56 0.00 0.00 35.95 38.51 1y3k h PHE 60 CO -0.13 -0.22 -0.28 0.82 -2.02 0.00 0.00 178.31 176.49 1y3k h ILE 61 N 0.26 1.54 0.00 1.41 2.04 -0.23 -3.34 117.51 119.20 1y3k h ILE 61 Ca 0.70 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1y3k h ILE 61 Cb 1.59 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 40.44 1y3k h ILE 61 CO -0.64 0.54 0.00 0.54 0.00 0.00 0.00 178.15 178.59 1y3k n ARG 62 N -4.48 0.04 -0.46 2.37 1.74 0.54 -2.92 116.66 113.47 1y3k n ARG 62 Ca -0.10 0.24 0.39 0.00 -0.77 0.00 0.00 57.85 57.61 1y3k n ARG 62 Cb 0.52 -1.50 0.70 0.00 -1.02 0.00 0.00 32.46 31.16 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 0.08 0.00 5.56 -0.00 -0.79 0.28 114.58 119.71 1y3k h GLU 63 Ca 0.00 -0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.19 1y3k h GLU 63 Cb 0.22 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.93 1y3k h GLU 63 CO 0.00 0.05 -0.78 -0.07 -0.00 0.00 0.00 179.01 178.21 1y3k h LEU 64 N 0.08 0.00 0.00 3.06 3.38 -1.82 -3.48 115.31 116.53 1y3k h LEU 64 Ca 0.75 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.72 1y3k h LEU 64 Cb 2.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.40 1y3k h LEU 64 CO -0.19 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1y3k n GLY 65 N 1.12 0.89 3.90 0.83 0.00 0.97 -5.09 105.19 107.80 1y3k n GLY 65 Ca 0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 3.54 -1.41 1.61 0.08 -1.26 -4.97 117.98 113.56 1y3k s PHE 66 Ca 0.00 0.93 -0.13 0.00 0.12 0.00 0.00 56.93 57.85 1y3k s PHE 66 Cb 0.00 -2.50 0.07 0.00 -0.57 0.00 0.00 43.02 40.02 1y3k s PHE 66 CO 0.00 -0.49 2.11 0.41 -0.10 0.00 0.00 175.22 177.15 1y3k n GLY 67 N -2.46 4.35 3.78 4.36 0.00 -1.26 -4.81 105.19 109.15 1y3k n GLY 67 Ca 0.03 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 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 2.67 3.36 -0.21 4.61 0.00 -1.26 -3.80 121.76 127.13 1y3k s ALA 68 Ca 0.46 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.76 1y3k s ALA 68 Cb 0.12 -3.01 0.07 0.00 0.00 0.00 0.00 23.12 20.30 1y3k s ALA 68 CO -0.06 0.26 0.09 0.95 0.00 0.00 0.00 175.76 177.01 1y3k s THR 69 N -1.38 0.04 -0.10 0.00 -4.23 -0.24 -5.00 115.64 104.73 1y3k s THR 69 Ca 0.42 -0.43 -0.14 0.00 -1.18 0.00 0.00 61.69 60.36 1y3k s THR 69 Cb -0.21 -0.79 -0.05 0.00 1.34 0.00 0.00 72.50 72.79 1y3k s THR 69 CO 0.25 -0.41 0.34 0.54 -0.54 0.00 0.00 174.62 174.80 1y3k s VAL 70 N 2.07 5.22 0.22 2.29 0.11 -1.26 -0.80 120.40 128.25 1y3k s VAL 70 Ca 0.04 0.67 -0.09 0.00 -2.93 0.00 0.00 61.98 59.67 1y3k s VAL 70 Cb -0.16 -3.66 -0.01 0.00 -1.53 0.00 0.00 36.38 31.01 1y3k s VAL 70 CO -0.17 0.47 0.35 0.27 -3.33 0.00 0.00 175.10 172.68 1y3k s ILE 71 N -0.17 0.01 0.00 7.04 -5.25 0.72 -5.00 121.20 118.54 1y3k s ILE 71 Ca 0.20 -1.55 0.00 0.00 -0.99 0.00 0.00 60.65 58.31 1y3k s ILE 71 Cb -0.14 -2.20 0.00 0.00 2.95 0.00 0.00 42.46 43.06 1y3k s ILE 71 CO 0.08 -0.06 0.00 -1.84 -1.79 0.00 0.00 174.94 171.33 1y3k n GLU 72 N -0.32 0.00 0.09 0.37 0.28 -1.26 -1.33 120.64 118.47 1y3k n GLU 72 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1y3k n GLU 72 Cb 0.63 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.50 1y3k n GLU 72 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1y3k n ASN 73 N -0.33 0.35 -3.86 -1.84 4.13 -1.26 -5.05 115.26 107.40 1y3k n ASN 73 Ca 0.00 0.31 -0.10 0.00 1.68 0.00 0.00 54.58 56.47 1y3k n ASN 73 Cb 0.00 0.08 -0.08 0.00 -1.54 0.00 0.00 39.78 38.23 1y3k n ASN 73 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1y3k s ILE 74 N -2.00 0.12 0.62 2.41 -4.36 -1.26 -5.18 121.20 111.56 1y3k s ILE 74 Ca 0.00 -1.01 -0.05 0.00 -0.26 0.00 0.00 60.65 59.33 1y3k s ILE 74 Cb 0.00 -1.03 0.03 0.00 1.25 0.00 0.00 42.46 42.71 1y3k s ILE 74 CO 0.00 -0.56 0.92 -1.61 0.24 0.00 0.00 174.94 173.94 1y3k s GLU 75 N -2.92 2.64 -0.87 0.37 2.02 -1.26 -4.90 118.70 113.78 1y3k s GLU 75 Ca -0.02 -0.17 -0.08 0.00 0.02 0.00 0.00 54.97 54.72 1y3k s GLU 75 Cb 0.01 -2.26 -0.14 0.00 0.10 0.00 0.00 34.13 31.83 1y3k s GLU 75 CO -0.06 -0.88 3.20 0.41 0.02 0.00 0.00 175.26 177.95 1y3k n GLY 76 N -2.67 3.80 1.04 -1.39 0.00 -1.26 -5.00 105.19 99.72 1y3k n GLY 76 Ca 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1y3k n GLY 76 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36