#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rdn n LYS 2 N 0.00 0.08 -3.15 1.20 4.01 -1.26 -5.05 118.16 114.00 3rdn n LYS 2 Ca 0.00 -2.35 -0.39 0.00 -0.51 0.00 0.00 58.31 55.06 3rdn n LYS 2 Cb 0.00 -0.52 -0.05 0.00 -0.51 0.00 0.00 35.03 33.95 3rdn n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3rdn s ALA 3 N -3.05 3.46 0.31 7.82 0.00 -1.26 -4.60 121.76 124.44 3rdn s ALA 3 Ca 0.56 0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.67 3rdn s ALA 3 Cb -0.03 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 3rdn s ALA 3 CO 0.37 0.14 0.41 0.45 0.00 0.00 0.00 175.76 177.13 3rdn s SER 4 N -0.17 5.93 -0.18 0.00 0.15 0.17 -3.73 113.70 115.88 3rdn s SER 4 Ca 0.33 -0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.56 3rdn s SER 4 Cb -0.19 -1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 62.77 3rdn s SER 4 CO 0.19 -0.32 0.78 -0.69 1.20 0.00 0.00 173.24 174.39 3rdn s VAL 5 N -2.15 4.92 -0.06 4.45 1.01 0.76 -1.20 120.40 128.13 3rdn s VAL 5 Ca 0.41 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.94 3rdn s VAL 5 Cb -0.09 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3rdn s VAL 5 CO 0.30 0.05 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 3rdn s VAL 6 N 2.10 1.12 0.06 2.92 1.01 -0.05 -0.75 120.40 126.80 3rdn s VAL 6 Ca 0.36 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 3rdn s VAL 6 Cb -0.16 -1.01 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 3rdn s VAL 6 CO 0.12 0.35 1.81 0.00 0.00 0.00 0.00 175.10 177.37 3rdn s ALA 7 N 0.51 3.66 0.05 5.51 0.00 0.48 -1.00 121.76 130.98 3rdn s ALA 7 Ca -0.11 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 3rdn s ALA 7 Cb -0.14 -3.77 -0.17 0.00 0.00 0.00 0.00 23.12 19.03 3rdn s ALA 7 CO 0.03 -1.34 1.25 -0.97 0.00 0.00 0.00 175.76 174.73 3rdn h ASN 8 N 9.36 0.64 -6.04 0.00 -1.24 -1.01 0.31 115.58 117.58 3rdn h ASN 8 Ca -0.45 -0.62 -0.42 0.00 0.71 0.00 0.00 56.30 55.51 3rdn h ASN 8 Cb 1.21 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 40.09 3rdn h ASN 8 CO 0.94 1.15 -0.09 0.00 -1.29 0.00 0.00 177.43 178.15 3rdn n GLN 9 N -4.23 0.69 -3.66 6.67 10.64 -1.26 -3.76 117.38 122.47 3rdn n GLN 9 Ca -0.08 -2.66 -0.36 0.00 -1.83 0.00 0.00 57.00 52.07 3rdn n GLN 9 Cb 0.59 -0.11 -0.09 0.00 -0.86 0.00 0.00 30.24 29.76 3rdn n GLN 9 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3rdn s LEU 10 N 0.00 4.12 0.03 2.61 0.20 -1.26 -3.90 118.68 120.48 3rdn s LEU 10 Ca 0.47 0.12 0.07 0.00 0.69 0.00 0.00 54.13 55.48 3rdn s LEU 10 Cb -0.04 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 3rdn s LEU 10 CO 0.30 0.07 -0.21 0.27 -0.29 0.00 0.00 176.35 176.48 3rdn s ILE 11 N 1.03 1.69 0.00 6.68 -4.36 0.66 -4.94 121.20 121.96 3rdn s ILE 11 Ca 0.08 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 59.31 3rdn s ILE 11 Cb -0.13 -1.46 0.00 0.00 1.25 0.00 0.00 42.46 42.12 3rdn s ILE 11 CO 0.04 0.26 0.00 -0.81 0.24 0.00 0.00 174.94 174.67 3rdn n PRO 12 N 1.96 -0.34 -2.51 0.37 -0.04 -1.26 -1.60 135.00 131.58 3rdn n PRO 12 Ca -0.17 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.96 3rdn n PRO 12 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 3rdn n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3rdn s ILE 13 N -0.84 3.89 -0.98 0.52 1.01 -1.26 -4.12 121.20 119.42 3rdn s ILE 13 Ca 0.00 1.13 -0.09 0.00 0.00 0.00 0.00 60.65 61.69 3rdn s ILE 13 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 3rdn s ILE 13 CO 0.00 -0.30 0.79 0.59 0.00 0.00 0.00 174.94 176.02 3rdn n ASN 14 N -1.09 -6.37 -4.09 3.58 3.02 0.22 -4.94 115.26 105.59 3rdn n ASN 14 Ca 0.09 -0.67 -0.27 0.00 -0.03 0.00 0.00 54.58 53.70 3rdn n ASN 14 Cb 0.53 -4.32 -0.17 0.00 -0.61 0.00 0.00 39.78 35.21 3rdn n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3rdn s THR 15 N -3.27 1.45 0.43 3.41 2.01 -1.26 -4.79 115.64 113.61 3rdn s THR 15 Ca 0.30 -0.66 -0.26 0.00 0.31 0.00 0.00 61.69 61.38 3rdn s THR 15 Cb -0.07 -1.29 -0.09 0.00 0.01 0.00 0.00 72.50 71.06 3rdn s THR 15 CO 0.80 0.42 1.42 0.00 -0.69 0.00 0.00 174.62 176.57 3rdn s ALA 16 N 0.56 3.32 0.08 7.40 0.00 -1.26 -3.85 121.76 128.00 3rdn s ALA 16 Ca -0.16 1.44 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 3rdn s ALA 16 Cb -0.17 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 3rdn s ALA 16 CO 0.05 -1.09 0.28 -0.51 0.00 0.00 0.00 175.76 174.49 3rdn s LEU 17 N -2.53 4.33 0.28 0.00 1.43 -0.95 -4.84 118.68 116.41 3rdn s LEU 17 Ca 0.58 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.15 3rdn s LEU 17 Cb -0.43 -3.03 -0.06 0.00 0.03 0.00 0.00 46.19 42.70 3rdn s LEU 17 CO 0.56 0.14 0.05 0.42 0.23 0.00 0.00 176.35 177.76 3rdn s THR 18 N -1.52 1.00 0.12 5.49 -4.23 -1.26 -0.08 115.64 115.15 3rdn s THR 18 Ca 0.36 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.69 3rdn s THR 18 Cb -0.13 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 3rdn s THR 18 CO 0.25 -0.09 1.64 -0.07 -0.54 0.00 0.00 174.62 175.80 3rdn h LEU 19 N 2.28 0.53 -2.10 4.79 3.38 -1.90 -1.49 115.31 120.80 3rdn h LEU 19 Ca -0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 3rdn h LEU 19 Cb 1.24 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3rdn h LEU 19 CO 0.66 0.59 -0.06 0.40 0.09 0.00 0.00 178.44 180.12 3rdn h ILE 20 N 0.43 0.31 0.05 1.22 2.04 -2.02 -3.06 117.51 116.48 3rdn h ILE 20 Ca 0.12 -0.38 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 3rdn h ILE 20 Cb 0.26 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3rdn h ILE 20 CO -0.00 0.06 -0.76 0.24 0.00 0.00 0.00 178.15 177.69 3rdn h MET 21 N 0.00 0.10 -6.27 2.37 2.86 -1.84 -3.45 114.93 108.70 3rdn h MET 21 Ca -0.00 -0.18 -0.56 0.00 -2.06 0.00 0.00 59.70 56.91 3rdn h MET 21 Cb 0.28 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3rdn h MET 21 CO 0.01 1.08 0.68 -1.64 1.06 0.00 0.00 176.91 178.11 3rdn s MET 22 N -2.35 4.36 -0.17 1.72 -1.94 -0.60 -0.38 119.30 119.94 3rdn s MET 22 Ca -0.21 1.57 -0.02 0.00 -1.71 0.00 0.00 55.69 55.33 3rdn s MET 22 Cb 0.01 -3.57 -0.01 0.00 2.01 0.00 0.00 34.83 33.27 3rdn s MET 22 CO 0.71 -0.44 -0.09 0.15 -0.01 0.00 0.00 175.02 175.33 3rdn s LYS 23 N 2.32 3.39 -1.27 2.03 1.02 -0.17 -4.86 119.74 122.20 3rdn s LYS 23 Ca 0.53 -0.65 -0.17 0.00 0.02 0.00 0.00 55.97 55.70 3rdn s LYS 23 Cb -0.22 -2.81 0.10 0.00 -0.52 0.00 0.00 37.83 34.38 3rdn s LYS 23 CO 0.19 0.02 1.64 0.00 -0.92 0.00 0.00 175.35 176.29 3rdn s ALA 24 N 0.86 3.52 0.06 5.17 0.00 -1.26 -0.87 121.76 129.25 3rdn s ALA 24 Ca -0.02 -3.04 0.06 0.00 0.00 0.00 0.00 51.96 48.95 3rdn s ALA 24 Cb -0.15 -4.49 -0.04 0.00 0.00 0.00 0.00 23.12 18.45 3rdn s ALA 24 CO 0.01 -3.15 -0.11 -2.00 0.00 0.00 0.00 175.76 170.51 3rdn s GLU 25 N 3.44 2.21 -1.12 0.00 2.12 -0.34 -4.70 118.70 120.31 3rdn s GLU 25 Ca 0.50 -0.94 -0.18 0.00 0.36 0.00 0.00 54.97 54.71 3rdn s GLU 25 Cb 0.02 -2.32 0.11 0.00 0.26 0.00 0.00 34.13 32.20 3rdn s GLU 25 CO 0.05 0.54 1.43 0.08 -0.54 0.00 0.00 175.26 176.82 3rdn s VAL 26 N -1.08 4.51 0.09 3.70 1.01 -1.26 -0.65 120.40 126.71 3rdn s VAL 26 Ca 0.18 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.37 3rdn s VAL 26 Cb -0.11 -4.98 -0.04 0.00 0.00 0.00 0.00 36.38 31.25 3rdn s VAL 26 CO 0.10 -1.75 -0.04 0.68 0.00 0.00 0.00 175.10 174.09 3rdn s VAL 27 N 3.20 0.46 0.13 2.92 -7.23 -1.26 -4.97 120.40 113.64 3rdn s VAL 27 Ca 0.43 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3rdn s VAL 27 Cb -0.01 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 3rdn s VAL 27 CO -0.03 -0.85 0.27 0.42 -0.31 0.00 0.00 175.10 174.60 3rdn s THR 28 N -3.78 5.33 0.75 5.32 -4.23 -1.26 -4.02 115.64 113.76 3rdn s THR 28 Ca 0.12 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 59.95 3rdn s THR 28 Cb 0.07 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.24 3rdn s THR 28 CO -0.05 -0.03 1.09 -2.16 -0.54 0.00 0.00 174.62 172.93 3rdn s PRO 29 N -3.02 2.46 -0.71 3.99 0.04 -1.26 -4.99 135.00 131.51 3rdn s PRO 29 Ca 0.35 0.60 -0.26 0.00 0.04 0.00 0.00 61.00 61.74 3rdn s PRO 29 Cb -0.12 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.50 3rdn s PRO 29 CO 0.28 -1.35 1.17 -1.64 0.04 0.00 0.00 177.00 175.51 3rdn s MET 30 N -5.22 3.17 0.00 4.56 -1.94 -1.26 -4.86 119.30 113.76 3rdn s MET 30 Ca 0.59 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 54.15 3rdn s MET 30 Cb -0.13 -4.19 0.00 0.00 2.01 0.00 0.00 34.83 32.52 3rdn s MET 30 CO 0.53 -2.02 0.00 0.41 -0.01 0.00 0.00 175.02 173.93 3rdn n GLY 31 N 5.35 0.76 3.78 -0.03 0.00 -1.26 -4.99 105.19 108.81 3rdn n GLY 31 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3rdn n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3rdn s ILE 32 N 0.82 4.96 1.14 -0.61 1.01 -0.38 -4.91 121.20 123.23 3rdn s ILE 32 Ca 0.00 1.07 -0.17 0.00 0.00 0.00 0.00 60.65 61.55 3rdn s ILE 32 Cb 0.00 -3.84 0.26 0.00 0.01 0.00 0.00 42.46 38.88 3rdn s ILE 32 CO 0.00 0.47 1.12 -2.16 0.00 0.00 0.00 174.94 174.37 3rdn s PRO 33 N -0.44 -0.71 -0.23 2.79 0.04 -1.26 -0.17 135.00 135.02 3rdn s PRO 33 Ca 0.28 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.37 3rdn s PRO 33 Cb -0.17 -1.65 0.24 0.00 0.04 0.00 0.00 34.50 32.96 3rdn s PRO 33 CO 0.15 -3.40 1.64 0.00 0.04 0.00 0.00 177.00 175.44 3rdn n ALA 34 N -4.56 4.29 -0.04 8.56 0.00 -1.24 -4.37 120.51 123.15 3rdn n ALA 34 Ca 0.11 -1.32 -0.15 0.00 0.00 0.00 0.00 53.44 52.09 3rdn n ALA 34 Cb 0.59 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 3rdn n ALA 34 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3rdn h GLU 35 N 0.82 0.07 -0.96 0.00 4.81 -1.93 -3.33 114.58 114.07 3rdn h GLU 35 Ca 0.26 -0.09 -0.58 0.00 -0.13 0.00 0.00 59.36 58.82 3rdn h GLU 35 Cb 1.44 0.03 -0.29 0.00 0.63 0.00 0.00 28.75 30.56 3rdn h GLU 35 CO 0.55 0.92 0.67 0.39 -0.73 0.00 0.00 179.01 180.82 3rdn n GLU 36 N -4.58 2.47 0.01 1.92 1.02 -1.26 -4.72 120.64 115.50 3rdn n GLU 36 Ca -0.10 -3.19 -0.10 0.00 -0.02 0.00 0.00 57.16 53.75 3rdn n GLU 36 Cb 0.48 -2.21 -0.04 0.00 -0.02 0.00 0.00 31.44 29.65 3rdn n GLU 36 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3rdn h ILE 37 N 1.04 0.33 0.00 -3.67 1.08 -1.84 0.73 117.51 115.18 3rdn h ILE 37 Ca 0.60 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 65.04 3rdn h ILE 37 Cb 1.83 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.91 3rdn h ILE 37 CO 1.29 0.00 -0.15 1.55 -0.69 0.00 0.00 178.15 180.15 3rdn h PRO 38 N -0.37 0.00 0.00 2.37 0.13 -1.91 -2.48 132.00 129.74 3rdn h PRO 38 Ca 0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 3rdn h PRO 38 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 3rdn h PRO 38 CO -0.33 0.15 -0.20 -0.97 -0.23 0.00 0.00 178.00 176.42 3rdn h ASN 39 N 0.00 0.00 0.11 1.44 -0.73 -1.53 -3.32 115.58 111.55 3rdn h ASN 39 Ca -0.00 -0.72 -0.01 0.00 1.87 0.00 0.00 56.30 57.43 3rdn h ASN 39 Cb 0.69 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.28 3rdn h ASN 39 CO 0.02 0.98 -0.07 -0.07 -0.37 0.00 0.00 177.43 177.91 3rdn h LEU 40 N -1.00 0.00 -9.60 0.34 3.38 0.36 -3.44 115.31 105.35 3rdn h LEU 40 Ca -0.05 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.33 3rdn h LEU 40 Cb 0.85 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.70 3rdn h LEU 40 CO -0.03 0.07 0.53 0.52 0.09 0.00 0.00 178.44 179.62 3rdn n VAL 41 N -4.13 1.26 0.00 1.22 0.31 -0.93 -2.11 118.33 113.94 3rdn n VAL 41 Ca -0.03 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3rdn n VAL 41 Cb 0.16 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3rdn n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3rdn n GLY 42 N 1.77 3.07 3.77 2.92 0.00 0.88 -4.88 105.19 112.71 3rdn n GLY 42 Ca 0.10 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 3rdn n GLY 42 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3rdn s MET 43 N 0.00 2.56 0.37 1.61 0.00 -0.90 -4.26 119.30 118.69 3rdn s MET 43 Ca 0.00 1.34 0.08 0.00 0.00 0.00 0.00 55.69 57.10 3rdn s MET 43 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 34.83 32.88 3rdn s MET 43 CO 0.00 -1.43 0.29 -0.65 0.00 0.00 0.00 175.02 173.23 3rdn s GLN 44 N -4.36 2.55 0.44 3.16 -0.21 -1.26 -2.24 119.66 117.75 3rdn s GLN 44 Ca 0.65 -1.47 0.07 0.00 0.02 0.00 0.00 55.36 54.63 3rdn s GLN 44 Cb -0.20 -2.35 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 3rdn s GLN 44 CO 0.47 -0.03 0.38 0.14 -2.12 0.00 0.00 175.29 174.13 3rdn s VAL 45 N -2.41 2.44 -0.05 1.09 -7.23 -1.25 -4.32 120.40 108.68 3rdn s VAL 45 Ca 0.43 -1.38 0.20 0.00 -1.81 0.00 0.00 61.98 59.42 3rdn s VAL 45 Cb -0.03 -2.83 -0.31 0.00 0.56 0.00 0.00 36.38 33.77 3rdn s VAL 45 CO 0.26 0.00 0.41 -3.20 -0.31 0.00 0.00 175.10 172.27 3rdn n ASN 46 N -1.58 0.25 -4.86 4.85 5.15 0.12 -0.61 115.26 118.58 3rdn n ASN 46 Ca 0.03 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.77 3rdn n ASN 46 Cb 0.62 1.85 -0.03 0.00 -0.53 0.00 0.00 39.78 41.69 3rdn n ASN 46 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3rdn s ARG 47 N -3.34 2.34 0.18 1.20 0.52 -1.24 -4.62 118.95 113.99 3rdn s ARG 47 Ca -0.08 -1.82 -0.21 0.00 -0.52 0.00 0.00 55.73 53.11 3rdn s ARG 47 Cb 0.12 -2.18 -0.08 0.00 0.52 0.00 0.00 34.95 33.34 3rdn s ARG 47 CO 0.86 -0.38 0.70 0.00 0.02 0.00 0.00 175.30 176.49 3rdn s ALA 48 N -2.64 3.46 -0.31 2.13 0.00 -1.26 -4.21 121.76 118.94 3rdn s ALA 48 Ca 0.41 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.55 3rdn s ALA 48 Cb -0.01 -2.80 0.09 0.00 0.00 0.00 0.00 23.12 20.40 3rdn s ALA 48 CO 0.24 0.34 0.06 0.08 0.00 0.00 0.00 175.76 176.48 3rdn s VAL 49 N -1.35 1.50 0.00 0.00 1.01 -0.63 -4.98 120.40 115.95 3rdn s VAL 49 Ca 0.38 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.64 3rdn s VAL 49 Cb -0.19 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3rdn s VAL 49 CO 0.22 -0.56 0.00 -0.81 0.00 0.00 0.00 175.10 173.95 3rdn n PRO 50 N 4.60 -0.67 -2.31 2.72 -0.04 -1.26 -0.25 135.00 137.79 3rdn n PRO 50 Ca -0.01 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.05 3rdn n PRO 50 Cb 0.42 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 3rdn n PRO 50 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3rdn s LEU 51 N 0.00 4.45 -1.36 1.53 1.43 -1.25 -3.38 118.68 120.10 3rdn s LEU 51 Ca 0.00 2.44 -0.05 0.00 -1.03 0.00 0.00 54.13 55.49 3rdn s LEU 51 Cb 0.00 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.54 3rdn s LEU 51 CO 0.00 -0.36 0.71 0.61 0.23 0.00 0.00 176.35 177.54 3rdn n GLY 52 N 0.96 -0.41 3.60 -3.19 0.00 0.11 -4.98 105.19 101.28 3rdn n GLY 52 Ca 0.00 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3rdn n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3rdn s THR 53 N -3.17 5.26 0.67 2.61 2.01 -1.16 -4.80 115.64 117.05 3rdn s THR 53 Ca 0.35 0.35 -0.16 0.00 0.31 0.00 0.00 61.69 62.54 3rdn s THR 53 Cb -0.16 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.76 3rdn s THR 53 CO 0.44 0.22 1.16 0.28 -0.69 0.00 0.00 174.62 176.03 3rdn s THR 54 N 1.82 2.79 -0.20 -0.82 -1.32 -1.26 -0.38 115.64 116.27 3rdn s THR 54 Ca 0.11 0.40 -0.29 0.00 -1.21 0.00 0.00 61.69 60.70 3rdn s THR 54 Cb -0.16 -2.98 -0.02 0.00 -1.51 0.00 0.00 72.50 67.83 3rdn s THR 54 CO 0.10 -0.19 1.49 -0.22 -2.21 0.00 0.00 174.62 173.59 3rdn s LEU 55 N -4.75 4.02 0.13 9.08 0.20 0.07 -4.84 118.68 122.59 3rdn s LEU 55 Ca 0.72 1.65 0.02 0.00 0.69 0.00 0.00 54.13 57.21 3rdn s LEU 55 Cb -0.26 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 41.93 3rdn s LEU 55 CO 0.40 -1.07 0.28 -0.04 -0.29 0.00 0.00 176.35 175.63 3rdn s MET 56 N 4.23 3.44 0.13 1.98 -1.94 -1.26 -1.25 119.30 124.64 3rdn s MET 56 Ca 0.65 -0.55 -0.11 0.00 -1.71 0.00 0.00 55.69 53.97 3rdn s MET 56 Cb -0.24 -2.97 -0.07 0.00 2.01 0.00 0.00 34.83 33.55 3rdn s MET 56 CO 0.25 0.53 1.43 -1.00 -0.01 0.00 0.00 175.02 176.22 3rdn h PRO 57 N 2.31 0.91 0.00 2.03 0.13 -1.94 -3.05 132.00 132.39 3rdn h PRO 57 Ca -0.48 -0.54 -0.06 0.00 -0.87 0.00 0.00 66.00 64.05 3rdn h PRO 57 Cb 1.19 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3rdn h PRO 57 CO 0.70 1.19 -0.30 -0.44 -0.23 0.00 0.00 178.00 178.92 3rdn h ASP 58 N 0.71 0.00 0.67 1.44 3.32 -2.01 -2.86 116.42 117.70 3rdn h ASP 58 Ca 0.03 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 3rdn h ASP 58 Cb 1.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3rdn h ASP 58 CO 0.11 0.30 -0.60 0.24 -1.72 0.00 0.00 179.24 177.57 3rdn h MET 59 N 0.00 0.00 -6.50 3.56 2.86 -1.95 -3.44 114.93 109.46 3rdn h MET 59 Ca -0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.11 3rdn h MET 59 Cb 0.70 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 3rdn h MET 59 CO 0.04 0.60 0.30 0.08 1.06 0.00 0.00 176.91 179.00 3rdn s VAL 60 N -3.56 4.54 -0.01 -2.22 1.01 -1.08 0.14 120.40 119.21 3rdn s VAL 60 Ca -0.01 1.95 -0.00 0.00 0.00 0.00 0.00 61.98 63.92 3rdn s VAL 60 Cb 0.12 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 3rdn s VAL 60 CO 0.76 0.34 -0.00 0.11 0.00 0.00 0.00 175.10 176.31 3rdn h LYS 61 N 5.49 0.00 -4.03 2.72 1.79 -1.85 -3.43 116.57 117.26 3rdn h LYS 61 Ca -0.43 0.00 -0.76 0.00 -2.18 0.00 0.00 60.65 57.28 3rdn h LYS 61 Cb 1.21 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.60 3rdn h LYS 61 CO 0.71 0.00 -0.16 0.54 -1.08 0.00 0.00 179.45 179.46 3rdn s ASN 62 N -3.40 6.23 0.31 0.86 4.22 -1.26 -4.79 114.94 117.12 3rdn s ASN 62 Ca -0.00 -2.11 -0.29 0.00 -2.14 0.00 0.00 52.86 48.31 3rdn s ASN 62 Cb 0.00 -2.16 -0.12 0.00 1.28 0.00 0.00 41.25 40.25 3rdn s ASN 62 CO 0.00 -0.73 1.56 0.00 -2.04 0.00 0.00 177.10 175.89 3rdn n TYR 63 N 4.75 2.87 0.09 1.54 4.19 -1.26 -4.91 117.16 124.43 3rdn n TYR 63 Ca -0.04 0.31 -0.03 0.00 3.31 0.00 0.00 57.90 61.45 3rdn n TYR 63 Cb 0.42 -2.58 -0.06 0.00 0.49 0.00 0.00 39.34 37.61 3rdn n TYR 63 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 3rdn h GLU 64 N 4.27 0.00 -6.30 2.98 5.08 -1.96 -3.32 114.58 115.34 3rdn h GLU 64 Ca -0.48 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.33 3rdn h GLU 64 Cb 1.23 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.39 3rdn h GLU 64 CO 0.75 0.75 0.98 0.34 -1.00 0.00 0.00 179.01 180.83 3rdn s ASP 65 N -6.54 6.23 -1.31 1.42 -1.08 -1.26 -4.88 116.67 109.24 3rdn s ASP 65 Ca 0.02 -0.39 -0.06 0.00 -0.52 0.00 0.00 52.55 51.60 3rdn s ASP 65 Cb 0.09 -2.54 0.14 0.00 -1.46 0.00 0.00 42.92 39.14 3rdn s ASP 65 CO 0.79 -1.71 2.25 0.61 0.52 0.00 0.00 175.17 177.64 3rdn n GLY 66 N 5.30 5.13 0.00 2.66 0.00 -1.26 -3.03 105.19 114.00 3rdn n GLY 66 Ca 0.03 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3rdn n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3rdn n THR 67 N 2.04 0.00 0.00 2.61 -1.04 -1.12 -4.89 114.28 111.87 3rdn n THR 67 Ca 0.57 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.58 3rdn n THR 67 Cb 0.27 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 3rdn n THR 67 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3rdn n THR 68 N -0.60 0.00 0.00 12.58 -2.24 -1.26 -4.92 114.28 117.85 3rdn n THR 68 Ca 0.00 0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 3rdn n THR 68 Cb 0.00 -0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 67.35 3rdn n THR 68 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3rdn h SER 69 N 0.00 -0.10 -4.17 3.42 0.02 -1.96 -3.46 113.55 107.31 3rdn h SER 69 Ca 0.00 -0.49 -0.50 0.00 -0.84 0.00 0.00 61.79 59.96 3rdn h SER 69 Cb 0.00 0.03 0.08 0.00 0.14 0.00 0.00 62.40 62.64 3rdn h SER 69 CO 0.00 0.56 0.39 -2.16 -1.14 0.00 0.00 176.83 174.47 3rdn s PRO 70 N -3.00 3.16 0.00 3.45 0.04 -1.26 -4.78 135.00 132.60 3rdn s PRO 70 Ca -0.13 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3rdn s PRO 70 Cb -0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3rdn s PRO 70 CO 0.50 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3rdn n GLY 71 N -0.55 -0.59 3.77 0.56 0.00 -1.17 -2.81 105.19 104.40 3rdn n GLY 71 Ca 0.10 0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 3rdn n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3rdn s LEU 72 N 0.00 3.93 0.00 0.99 1.02 -1.26 -4.07 118.68 119.29 3rdn s LEU 72 Ca 0.00 0.26 0.25 0.00 0.02 0.00 0.00 54.13 54.66 3rdn s LEU 72 Cb 0.00 -2.01 1.51 0.00 0.02 0.00 0.00 46.19 45.71 3rdn s LEU 72 CO 0.00 0.37 1.87 2.29 0.02 0.00 0.00 176.35 180.90