#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 6.55 0.14 0.53 0.15 -1.26 -4.70 113.70 115.11 1y3k s SER 2 Ca 0.00 1.78 0.05 0.00 0.70 0.00 0.00 55.95 58.48 1y3k s SER 2 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1y3k s SER 2 CO 0.00 -0.63 -0.12 -0.44 1.20 0.00 0.00 173.24 173.25 1y3k s SER 3 N -2.27 1.88 0.36 5.45 0.01 0.14 -4.49 113.70 114.79 1y3k s SER 3 Ca 0.64 -0.91 -0.16 0.00 1.31 0.00 0.00 55.95 56.83 1y3k s SER 3 Cb -0.13 -0.04 -0.09 0.00 0.21 0.00 0.00 66.02 65.97 1y3k s SER 3 CO 0.20 -0.24 0.80 -0.54 0.41 0.00 0.00 173.24 173.87 1y3k s LYS 4 N -3.21 4.04 -0.15 12.44 1.02 -1.26 -0.90 119.74 131.72 1y3k s LYS 4 Ca 0.13 0.78 0.00 0.00 0.02 0.00 0.00 55.97 56.90 1y3k s LYS 4 Cb -0.01 -2.35 0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1y3k s LYS 4 CO 0.02 0.08 -0.11 0.00 -0.92 0.00 0.00 175.35 174.42 1y3k s TYR 6 N 1.53 3.20 -0.02 0.00 6.14 -0.46 -1.51 117.35 126.22 1y3k s TYR 6 Ca 0.03 0.01 0.06 0.00 0.64 0.00 0.00 57.07 57.82 1y3k s TYR 6 Cb -0.14 -2.32 -0.02 0.00 0.42 0.00 0.00 41.96 39.89 1y3k s TYR 6 CO -0.09 -0.16 -0.21 0.42 0.64 0.00 0.00 175.55 176.14 1y3k s ILE 7 N 1.59 2.47 0.12 3.14 1.01 0.10 -0.35 121.20 129.28 1y3k s ILE 7 Ca 0.07 -0.99 0.09 0.00 0.00 0.00 0.00 60.65 59.82 1y3k s ILE 7 Cb -0.15 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1y3k s ILE 7 CO 0.08 0.55 -0.21 -1.10 0.00 0.00 0.00 174.94 174.27 1y3k s GLN 8 N -0.75 1.68 0.16 2.79 -0.21 0.05 -0.43 119.66 122.94 1y3k s GLN 8 Ca 0.11 -1.22 -0.10 0.00 0.02 0.00 0.00 55.36 54.17 1y3k s GLN 8 Cb -0.10 -2.05 -0.00 0.00 1.00 0.00 0.00 33.01 31.86 1y3k s GLN 8 CO 0.00 0.47 0.30 0.14 -2.12 0.00 0.00 175.29 174.09 1y3k s VAL 9 N -1.10 0.07 -0.41 1.09 -7.23 -0.98 -1.56 120.40 110.27 1y3k s VAL 9 Ca 0.16 -1.28 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 1y3k s VAL 9 Cb -0.10 -1.75 0.17 0.00 0.56 0.00 0.00 36.38 35.26 1y3k s VAL 9 CO 0.09 -0.32 0.33 0.42 -0.31 0.00 0.00 175.10 175.31 1y3k s THR 10 N -3.94 0.42 0.00 5.32 -4.23 -1.26 -4.63 115.64 107.32 1y3k s THR 10 Ca 0.15 -2.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.06 1y3k s THR 10 Cb 0.03 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1y3k s THR 10 CO -0.02 -1.20 0.00 0.61 -0.54 0.00 0.00 174.62 173.48 1y3k n GLY 11 N 2.97 -0.01 0.27 3.99 0.00 -1.26 -4.92 105.19 106.24 1y3k n GLY 11 Ca 0.27 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.97 1y3k n GLY 11 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1y3k h MET 12 N 0.00 0.04 0.00 1.61 2.86 -1.97 -3.45 114.93 114.03 1y3k h MET 12 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1y3k h MET 12 Cb 0.47 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1y3k h MET 12 CO 0.00 0.03 0.00 2.41 1.06 0.00 0.00 176.91 180.41 1y3k n THR 13 N -5.42 0.00 -3.86 2.22 -1.04 -1.26 -4.98 114.28 99.95 1y3k n THR 13 Ca 0.12 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.09 1y3k n THR 13 Cb 0.42 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.95 1y3k n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y3k n ALA 15 N -0.66 2.18 -1.66 0.00 0.00 -1.26 -2.11 120.51 117.01 1y3k n ALA 15 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1y3k n ALA 15 Cb 0.60 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1y3k n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1y3k n SER 16 N 0.96 0.00 -0.04 0.00 3.41 -1.26 -4.97 113.62 111.72 1y3k n SER 16 Ca 0.00 -0.82 -0.13 0.00 -0.26 0.00 0.00 58.87 57.66 1y3k n SER 16 Cb 0.26 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.13 1y3k n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y3k h VAL 18 N -0.13 0.78 -0.99 0.00 2.07 -1.93 0.18 116.25 116.23 1y3k h VAL 18 Ca 0.02 -0.16 0.31 0.00 0.82 0.00 0.00 66.70 67.68 1y3k h VAL 18 Cb 0.66 0.27 -0.18 0.00 -1.52 0.00 0.00 31.29 30.51 1y3k h VAL 18 CO 0.03 0.09 0.16 0.00 0.02 0.00 0.00 177.57 177.86 1y3k h ALA 19 N 1.44 1.42 0.62 1.67 0.00 -1.91 0.19 119.26 122.68 1y3k h ALA 19 Ca 0.33 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.53 1y3k h ALA 19 Cb 0.40 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1y3k h ALA 19 CO -0.31 -0.66 -0.30 -0.97 0.00 0.00 0.00 179.25 177.02 1y3k h ASN 20 N 0.01 -0.70 -0.18 0.00 -1.24 -1.12 -1.25 115.58 111.11 1y3k h ASN 20 Ca 0.66 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.72 1y3k h ASN 20 Cb 1.48 0.18 -0.06 0.00 0.73 0.00 0.00 38.32 40.65 1y3k h ASN 20 CO -0.88 -0.46 -0.18 0.40 -1.29 0.00 0.00 177.43 175.02 1y3k h ILE 21 N -0.89 0.51 -0.44 2.57 2.04 -0.89 -0.20 117.51 120.22 1y3k h ILE 21 Ca -0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1y3k h ILE 21 Cb 0.66 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 1y3k h ILE 21 CO 0.14 0.00 -0.49 -0.33 0.00 0.00 0.00 178.15 177.46 1y3k h GLU 22 N -0.21 -0.33 -0.03 2.37 5.08 -0.67 0.44 114.58 121.23 1y3k h GLU 22 Ca 0.11 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1y3k h GLU 22 Cb 0.38 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1y3k h GLU 22 CO -0.30 -0.22 0.06 0.00 -1.00 0.00 0.00 179.01 177.55 1y3k h ARG 23 N -0.35 0.00 0.00 2.33 2.47 -0.74 -0.60 114.38 117.49 1y3k h ARG 23 Ca 0.11 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.56 1y3k h ARG 23 Cb 0.59 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.86 1y3k h ARG 23 CO -0.61 0.00 -1.66 -0.97 0.56 0.00 0.00 179.97 177.29 1y3k h ASN 24 N 0.00 0.00 0.00 7.04 -1.24 0.11 -3.42 115.58 118.07 1y3k h ASN 24 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1y3k h ASN 24 Cb 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1y3k h ASN 24 CO -0.00 0.96 0.00 0.18 -1.29 0.00 0.00 177.43 177.27 1y3k n LEU 25 N -3.03 2.90 0.00 0.34 4.77 0.13 -4.62 117.00 117.47 1y3k n LEU 25 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1y3k n LEU 25 Cb 1.03 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1y3k n LEU 25 CO 0.45 -0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 174.39 1y3k n ARG 26 N -0.54 0.00 0.00 3.23 1.85 -0.35 0.19 116.66 121.04 1y3k n ARG 26 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1y3k n ARG 26 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 0.00 3.75 0.00 2.89 1.74 -1.26 -4.01 116.66 119.77 1y3k n ARG 27 Ca 0.00 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1y3k n ARG 27 Cb 0.00 -0.34 0.00 0.00 -1.02 0.00 0.00 32.46 31.10 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 -0.54 0.00 -2.13 5.56 2.13 0.13 -0.23 120.64 125.56 1y3k n GLU 28 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1y3k n GLU 28 Cb 0.01 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.74 1y3k n GLU 28 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1y3k n GLU 29 N 14.00 3.08 0.00 5.31 1.02 -1.26 -4.70 120.64 138.08 1y3k n GLU 29 Ca 0.00 -3.96 0.00 0.00 -0.02 0.00 0.00 57.16 53.18 1y3k n GLU 29 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 1y3k n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y3k n GLY 30 N -0.54 0.53 3.80 0.62 0.00 -0.40 -4.02 105.19 105.18 1y3k n GLY 30 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.80 3.77 -0.12 -0.61 1.01 0.68 -3.22 121.20 121.91 1y3k s ILE 31 Ca 0.00 1.04 0.04 0.00 0.00 0.00 0.00 60.65 61.73 1y3k s ILE 31 Cb 0.00 -3.43 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 1y3k s ILE 31 CO 0.00 -0.30 -0.05 -1.22 0.00 0.00 0.00 174.94 173.37 1y3k n TYR 32 N -1.23 0.00 -3.58 3.97 4.02 0.52 -4.42 117.16 116.45 1y3k n TYR 32 Ca 0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.85 1y3k n TYR 32 Cb 0.53 -0.50 -0.05 0.00 -0.02 0.00 0.00 39.34 39.29 1y3k n TYR 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1y3k s SER 33 N -4.84 -0.42 0.28 7.72 0.15 -1.17 -4.91 113.70 110.50 1y3k s SER 33 Ca -0.12 0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.54 1y3k s SER 33 Cb 0.04 0.49 -0.08 0.00 -1.71 0.00 0.00 66.02 64.76 1y3k s SER 33 CO 0.35 -0.74 0.64 0.27 1.20 0.00 0.00 173.24 174.96 1y3k s ILE 34 N -2.60 4.83 0.04 6.45 -5.25 -1.26 -0.78 121.20 122.62 1y3k s ILE 34 Ca -0.04 0.63 -0.27 0.00 -0.99 0.00 0.00 60.65 59.98 1y3k s ILE 34 Cb -0.01 -3.63 -0.05 0.00 2.95 0.00 0.00 42.46 41.72 1y3k s ILE 34 CO -0.03 -0.17 0.84 -1.48 -1.79 0.00 0.00 174.94 172.31 1y3k s LEU 35 N -3.02 4.43 -0.30 0.37 0.05 -1.24 -4.42 118.68 114.54 1y3k s LEU 35 Ca 0.50 1.52 0.04 0.00 0.05 0.00 0.00 54.13 56.25 1y3k s LEU 35 Cb -0.11 -3.35 0.18 0.00 -2.05 0.00 0.00 46.19 40.86 1y3k s LEU 35 CO 0.21 -0.07 0.50 0.54 -0.55 0.00 0.00 176.35 176.98 1y3k s VAL 36 N 0.26 -0.79 -0.36 1.48 0.11 -1.26 -4.70 120.40 115.13 1y3k s VAL 36 Ca 0.43 -0.19 0.13 0.00 -2.93 0.00 0.00 61.98 59.42 1y3k s VAL 36 Cb -0.21 -0.90 0.42 0.00 -1.53 0.00 0.00 36.38 34.16 1y3k s VAL 36 CO 0.25 -0.16 1.22 0.00 -3.33 0.00 0.00 175.10 173.07 1y3k n ALA 37 N 5.26 2.16 -0.25 1.54 0.00 -0.56 -4.67 120.51 123.99 1y3k n ALA 37 Ca 0.04 -1.97 0.17 0.00 0.00 0.00 0.00 53.44 51.67 1y3k n ALA 37 Cb 0.52 -0.96 0.46 0.00 0.00 0.00 0.00 19.45 19.46 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 2.31 0.50 -1.76 0.00 6.46 -1.94 0.17 115.31 121.05 1y3k h LEU 38 Ca -0.22 0.05 0.40 0.00 -0.12 0.00 0.00 57.88 57.99 1y3k h LEU 38 Cb 1.26 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 41.08 1y3k h LEU 38 CO 0.13 0.22 1.13 0.00 -0.62 0.00 0.00 178.44 179.30 1y3k h MET 39 N 0.51 0.00 0.00 1.25 -0.00 -1.91 -2.96 114.93 111.82 1y3k h MET 39 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.17 1y3k h MET 39 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 1y3k h MET 39 CO -0.20 0.00 -0.63 0.00 -0.00 0.00 0.00 176.91 176.08 1y3k n ALA 40 N -2.66 1.88 0.00 -3.00 0.00 -0.91 -5.07 120.51 110.76 1y3k n ALA 40 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1y3k n ALA 40 Cb 1.57 0.26 0.00 0.00 0.00 0.00 0.00 19.45 21.28 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 2.54 0.79 3.38 0.00 0.00 0.40 -4.97 105.19 107.32 1y3k n GLY 41 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 1.73 -0.17 1.61 1.02 -0.11 -2.31 119.74 121.51 1y3k s LYS 42 Ca 0.00 -2.01 -0.09 0.00 0.02 0.00 0.00 55.97 53.89 1y3k s LYS 42 Cb 0.00 -0.15 0.06 0.00 -0.52 0.00 0.00 37.83 37.22 1y3k s LYS 42 CO 0.00 -0.50 0.42 0.00 -0.92 0.00 0.00 175.35 174.34 1y3k s ALA 43 N -3.45 -1.07 -0.61 5.17 0.00 0.42 -1.50 121.76 120.72 1y3k s ALA 43 Ca 0.33 1.55 0.06 0.00 0.00 0.00 0.00 51.96 53.90 1y3k s ALA 43 Cb 0.04 -0.97 0.26 0.00 0.00 0.00 0.00 23.12 22.44 1y3k s ALA 43 CO 0.19 -0.31 0.75 -1.91 0.00 0.00 0.00 175.76 174.48 1y3k n GLU 44 N 4.37 2.46 -2.50 0.00 2.13 -1.26 -0.72 120.64 125.11 1y3k n GLU 44 Ca -0.22 -4.57 -0.29 0.00 0.66 0.00 0.00 57.16 52.74 1y3k n GLU 44 Cb 0.55 -2.17 -0.01 0.00 0.27 0.00 0.00 31.44 30.08 1y3k n GLU 44 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1y3k s VAL 45 N -2.61 4.83 0.05 6.31 0.11 -0.57 -3.72 120.40 124.79 1y3k s VAL 45 Ca 0.41 0.47 0.07 0.00 -2.93 0.00 0.00 61.98 60.00 1y3k s VAL 45 Cb 0.17 -3.84 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 1y3k s VAL 45 CO -0.03 -0.85 -0.21 -0.60 -3.33 0.00 0.00 175.10 170.08 1y3k s ARG 46 N -4.64 1.40 0.00 1.54 3.52 0.04 -0.37 118.95 120.44 1y3k s ARG 46 Ca 0.50 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1y3k s ARG 46 Cb -0.10 -1.53 0.00 0.00 -1.56 0.00 0.00 34.95 31.76 1y3k s ARG 46 CO 0.44 0.39 0.00 2.48 -0.81 0.00 0.00 175.30 177.80 1y3k n TYR 47 N 1.80 -0.67 -3.58 5.12 4.11 -0.08 -0.36 117.16 123.50 1y3k n TYR 47 Ca -0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.47 1y3k n TYR 47 Cb 0.53 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.71 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 -0.52 2.49 -1.04 9.48 2.47 -1.20 -0.68 114.94 125.94 1y3k s ASN 48 Ca 0.00 -0.71 -0.20 0.00 0.42 0.00 0.00 52.86 52.37 1y3k s ASN 48 Cb 0.00 -0.20 -0.08 0.00 -1.45 0.00 0.00 41.25 39.52 1y3k s ASN 48 CO 0.00 -0.37 1.98 -0.81 -3.72 0.00 0.00 177.10 174.18 1y3k n PRO 49 N 5.28 1.97 0.08 0.43 -0.04 -1.26 -3.77 135.00 137.69 1y3k n PRO 49 Ca -0.07 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1y3k n PRO 49 Cb 0.48 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 8.46 3.00 -0.08 0.55 0.00 -1.26 -4.92 120.51 126.26 1y3k n ALA 50 Ca 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 1y3k n ALA 50 Cb 0.42 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 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 -3.07 1.45 -0.24 0.00 0.31 -1.25 -4.57 118.33 110.97 1y3k n VAL 51 Ca 0.00 0.14 -0.06 0.00 -0.01 0.00 0.00 64.34 64.41 1y3k n VAL 51 Cb 0.00 -2.28 0.05 0.00 -0.91 0.00 0.00 33.84 30.70 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 -1.00 1.21 -1.41 2.52 2.10 -1.70 -3.49 117.51 115.73 1y3k h ILE 52 Ca -0.11 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 65.33 1y3k h ILE 52 Cb 0.77 0.30 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1y3k h ILE 52 CO -0.07 0.22 -0.12 0.00 -1.08 0.00 0.00 178.15 177.10 1y3k n GLN 53 N -4.53 -0.72 -0.30 2.19 1.13 -1.26 -4.49 117.38 109.40 1y3k n GLN 53 Ca 0.05 0.94 0.07 0.00 -1.94 0.00 0.00 57.00 56.13 1y3k n GLN 53 Cb 0.08 -0.55 0.23 0.00 0.11 0.00 0.00 30.24 30.11 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 0.55 0.61 -0.68 -1.09 0.13 -1.93 -0.36 132.00 129.23 1y3k h PRO 54 Ca 0.00 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1y3k h PRO 54 Cb 0.00 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 30.96 1y3k h PRO 54 CO 0.00 0.41 0.42 -1.00 -0.23 0.00 0.00 178.00 177.60 1y3k h PRO 55 N 0.63 0.91 -0.05 1.56 0.13 -2.00 -3.06 132.00 130.13 1y3k h PRO 55 Ca 0.47 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.52 1y3k h PRO 55 Cb 0.67 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1y3k h PRO 55 CO -0.36 0.63 0.01 0.52 -0.23 0.00 0.00 178.00 178.56 1y3k h MET 56 N 0.93 0.08 -0.36 0.86 2.86 -1.29 -0.26 114.93 117.75 1y3k h MET 56 Ca 0.25 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.92 1y3k h MET 56 Cb -0.06 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 1y3k h MET 56 CO -0.05 0.30 0.07 -0.84 1.06 0.00 0.00 176.91 177.45 1y3k h ILE 57 N -0.15 0.82 -0.01 -1.22 3.07 -1.47 0.15 117.51 118.70 1y3k h ILE 57 Ca 0.02 -0.07 0.03 0.00 1.55 0.00 0.00 64.86 66.39 1y3k h ILE 57 Cb 0.26 0.61 -0.05 0.00 -0.27 0.00 0.00 36.82 37.36 1y3k h ILE 57 CO 0.00 0.04 -0.33 0.00 -1.05 0.00 0.00 178.15 176.80 1y3k h ALA 58 N 1.27 -0.49 -0.53 0.16 0.00 -1.41 -2.07 119.26 116.19 1y3k h ALA 58 Ca 0.17 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1y3k h ALA 58 Cb 0.20 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1y3k h ALA 58 CO -0.23 -0.85 0.24 0.93 0.00 0.00 0.00 179.25 179.34 1y3k h GLU 59 N -0.48 0.44 -0.91 0.00 5.08 -0.26 0.18 114.58 118.63 1y3k h GLU 59 Ca 0.06 -0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.60 1y3k h GLU 59 Cb 0.57 -0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.55 1y3k h GLU 59 CO -0.28 0.29 -0.11 0.35 -1.00 0.00 0.00 179.01 178.26 1y3k h PHE 60 N 0.46 -0.28 -0.30 4.33 3.04 -0.49 0.33 116.94 124.02 1y3k h PHE 60 Ca 0.25 0.07 -0.18 0.00 3.98 0.00 0.00 57.97 62.09 1y3k h PHE 60 Cb 0.21 0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.99 1y3k h PHE 60 CO -0.13 -0.38 -0.52 0.82 -2.02 0.00 0.00 178.31 176.09 1y3k h ILE 61 N 0.02 1.27 0.00 1.41 2.04 -0.05 -2.64 117.51 119.57 1y3k h ILE 61 Ca 0.48 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1y3k h ILE 61 Cb 0.85 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1y3k h ILE 61 CO -0.89 0.56 0.00 0.54 0.00 0.00 0.00 178.15 178.36 1y3k n ARG 62 N -4.02 0.06 -0.20 2.37 1.74 0.21 -2.54 116.66 114.27 1y3k n ARG 62 Ca -0.04 0.29 0.28 0.00 -0.77 0.00 0.00 57.85 57.61 1y3k n ARG 62 Cb 0.61 -1.50 0.71 0.00 -1.02 0.00 0.00 32.46 31.26 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 0.04 0.00 5.56 4.11 -0.79 0.15 114.58 123.65 1y3k h GLU 63 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1y3k h GLU 63 Cb 0.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1y3k h GLU 63 CO 0.00 0.02 -0.09 1.28 0.07 0.00 0.00 179.01 180.29 1y3k n LEU 64 N -4.28 0.58 -1.31 3.06 4.77 -1.05 -4.95 117.00 113.81 1y3k n LEU 64 Ca 0.19 0.49 -0.02 0.00 -0.03 0.00 0.00 56.01 56.64 1y3k n LEU 64 Cb 0.97 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.73 1y3k n LEU 64 CO 0.38 -0.11 0.02 0.61 -1.33 0.00 0.00 177.39 176.96 1y3k n GLY 65 N 1.37 0.35 3.49 -0.72 0.00 0.54 -5.08 105.19 105.14 1y3k n GLY 65 Ca 0.06 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.05 2.38 -1.44 1.61 0.08 -1.26 -5.05 117.98 111.25 1y3k s PHE 66 Ca 0.00 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.62 1y3k s PHE 66 Cb -0.00 -1.09 0.05 0.00 -0.57 0.00 0.00 43.02 41.41 1y3k s PHE 66 CO 0.10 0.62 2.26 0.41 -0.10 0.00 0.00 175.22 178.51 1y3k n GLY 67 N -0.34 4.49 3.85 4.36 0.00 -1.26 -4.77 105.19 111.52 1y3k n GLY 67 Ca -0.08 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 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 2.42 3.18 -0.17 4.61 0.00 -1.26 -4.11 121.76 126.43 1y3k s ALA 68 Ca 0.49 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 1y3k s ALA 68 Cb 0.14 -2.95 0.08 0.00 0.00 0.00 0.00 23.12 20.39 1y3k s ALA 68 CO -0.07 -0.04 0.36 -0.08 0.00 0.00 0.00 175.76 175.93 1y3k s THR 69 N -2.40 -0.56 -0.20 0.00 -1.32 -0.60 -5.00 115.64 105.56 1y3k s THR 69 Ca 0.56 0.21 -0.09 0.00 -1.21 0.00 0.00 61.69 61.16 1y3k s THR 69 Cb -0.10 -0.59 -0.04 0.00 -1.51 0.00 0.00 72.50 70.26 1y3k s THR 69 CO 0.27 0.09 0.10 0.54 -2.21 0.00 0.00 174.62 173.41 1y3k s VAL 70 N 2.53 5.06 0.14 5.08 0.11 -1.26 -0.77 120.40 131.28 1y3k s VAL 70 Ca -0.01 0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 59.05 1y3k s VAL 70 Cb -0.12 -3.31 -0.02 0.00 -1.53 0.00 0.00 36.38 31.40 1y3k s VAL 70 CO -0.11 0.42 0.19 0.27 -3.33 0.00 0.00 175.10 172.54 1y3k s ILE 71 N 0.58 0.10 0.31 7.04 -5.25 0.53 -5.01 121.20 119.50 1y3k s ILE 71 Ca 0.06 -1.54 0.00 0.00 -0.99 0.00 0.00 60.65 58.18 1y3k s ILE 71 Cb -0.12 -1.82 0.00 0.00 2.95 0.00 0.00 42.46 43.47 1y3k s ILE 71 CO 0.01 -0.44 0.00 1.21 -1.79 0.00 0.00 174.94 173.93 1y3k n GLU 72 N -0.14 -2.83 -2.49 0.37 2.13 -1.26 -1.36 120.64 115.06 1y3k n GLU 72 Ca -0.08 2.10 -0.04 0.00 0.66 0.00 0.00 57.16 59.80 1y3k n GLU 72 Cb 0.63 -2.36 0.07 0.00 0.27 0.00 0.00 31.44 30.05 1y3k n GLU 72 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1y3k n ASN 73 N -0.83 -1.29 -4.90 4.31 6.94 -1.26 -4.25 115.26 113.98 1y3k n ASN 73 Ca 0.00 -1.95 -0.33 0.00 -0.02 0.00 0.00 54.58 52.28 1y3k n ASN 73 Cb 0.00 0.77 -0.05 0.00 -2.36 0.00 0.00 39.78 38.14 1y3k n ASN 73 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1y3k s ILE 74 N 0.11 5.40 0.93 1.53 -4.36 -1.26 -5.01 121.20 118.54 1y3k s ILE 74 Ca 0.10 -0.18 -0.12 0.00 -0.26 0.00 0.00 60.65 60.19 1y3k s ILE 74 Cb 0.26 -3.53 0.15 0.00 1.25 0.00 0.00 42.46 40.59 1y3k s ILE 74 CO -0.07 0.32 1.09 -1.61 0.24 0.00 0.00 174.94 174.91 1y3k s GLU 75 N -1.96 0.98 0.00 0.37 8.01 -1.26 -4.01 118.70 120.83 1y3k s GLU 75 Ca 0.27 0.73 0.00 0.00 0.01 0.00 0.00 54.97 55.98 1y3k s GLU 75 Cb -0.13 -1.78 0.00 0.00 -4.31 0.00 0.00 34.13 27.91 1y3k s GLU 75 CO 0.19 -2.41 0.91 0.41 0.01 0.00 0.00 175.26 174.37 1y3k n GLY 76 N -1.09 -2.52 2.17 -1.39 0.00 -1.26 -5.00 105.19 96.10 1y3k n GLY 76 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1y3k n GLY 76 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36