#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crl s SER 2 N 0.00 -0.24 0.14 1.61 1.04 -1.26 -5.18 113.70 109.81 2crl s SER 2 Ca 0.00 -0.12 -0.24 0.00 0.48 0.00 0.00 55.95 56.07 2crl s SER 2 Cb 0.00 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.63 2crl s SER 2 CO 0.00 -0.71 1.08 -0.94 0.98 0.00 0.00 173.24 173.65 2crl s SER 3 N -2.23 -0.03 -0.21 7.02 1.04 -1.26 -5.19 113.70 112.85 2crl s SER 3 Ca -0.03 -0.53 -0.36 0.00 0.48 0.00 0.00 55.95 55.51 2crl s SER 3 Cb 0.00 0.42 0.15 0.00 0.10 0.00 0.00 66.02 66.70 2crl s SER 3 CO -0.05 -0.83 1.41 -0.83 0.98 0.00 0.00 173.24 173.91 2crl s GLY 4 N -3.36 -0.33 0.32 7.32 0.00 -1.26 -5.19 107.32 104.83 2crl s GLY 4 Ca 0.21 1.50 -0.15 0.00 0.00 0.00 0.00 44.72 46.28 2crl s GLY 4 CO 0.03 0.44 0.68 -0.45 0.00 0.00 0.00 173.10 173.80 2crl s SER 5 N -2.44 0.01 0.15 1.64 0.15 -1.26 -5.19 113.70 106.76 2crl s SER 5 Ca 0.13 -0.98 -0.25 0.00 0.70 0.00 0.00 55.95 55.56 2crl s SER 5 Cb 0.03 0.75 0.07 0.00 -1.71 0.00 0.00 66.02 65.16 2crl s SER 5 CO -0.04 -1.44 1.02 -0.55 1.20 0.00 0.00 173.24 173.43 2crl s SER 6 N -3.03 -0.11 -0.13 5.45 0.15 -1.26 -5.10 113.70 109.67 2crl s SER 6 Ca 0.17 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 2crl s SER 6 Cb -0.04 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2crl s SER 6 CO 0.11 -0.87 0.06 0.61 1.20 0.00 0.00 173.24 174.35 2crl n GLY 7 N -0.54 -2.78 3.13 9.45 0.00 -1.26 -5.08 105.19 108.11 2crl n GLY 7 Ca -0.05 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 2crl n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2crl s MET 8 N -0.90 1.53 0.29 1.61 0.00 -1.26 -5.14 119.30 115.43 2crl s MET 8 Ca 0.03 -0.57 -0.20 0.00 0.00 0.00 0.00 55.69 54.95 2crl s MET 8 Cb -0.01 -1.39 -0.09 0.00 0.00 0.00 0.00 34.83 33.34 2crl s MET 8 CO 0.31 0.27 0.79 0.00 0.00 0.00 0.00 175.02 176.40 2crl s ALA 9 N -0.11 3.31 -0.21 3.16 0.00 -1.26 -5.01 121.76 121.64 2crl s ALA 9 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.04 2crl s ALA 9 Cb -0.09 -2.91 -0.09 0.00 0.00 0.00 0.00 23.12 20.03 2crl s ALA 9 CO 0.01 0.28 -0.33 -1.13 0.00 0.00 0.00 175.76 174.59 2crl n SER 10 N 0.25 1.86 -3.66 0.00 3.41 -1.26 -5.07 113.62 109.15 2crl n SER 10 Ca 0.01 0.32 -0.13 0.00 -0.26 0.00 0.00 58.87 58.81 2crl n SER 10 Cb 0.52 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 2crl n SER 10 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2crl s ASP 11 N -6.66 -0.28 0.25 4.04 -4.77 -1.26 -5.18 116.67 102.81 2crl s ASP 11 Ca -0.32 -0.02 -0.18 0.00 -3.30 0.00 0.00 52.55 48.73 2crl s ASP 11 Cb 0.09 0.43 0.02 0.00 -1.09 0.00 0.00 42.92 42.36 2crl s ASP 11 CO 0.43 -0.68 0.59 -0.94 0.70 0.00 0.00 175.17 175.28 2crl s SER 12 N -2.05 -0.21 0.00 2.11 1.04 -1.26 -5.14 113.70 108.18 2crl s SER 12 Ca -0.05 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.71 2crl s SER 12 Cb -0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2crl s SER 12 CO -0.03 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.60 2crl n GLY 13 N -0.40 -2.03 2.90 7.32 0.00 -1.26 -5.08 105.19 106.64 2crl n GLY 13 Ca -0.05 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 2crl n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2crl s ASN 14 N -0.92 0.52 0.73 1.61 2.47 -1.26 -5.16 114.94 112.93 2crl s ASN 14 Ca 0.00 -0.07 -0.06 0.00 0.42 0.00 0.00 52.86 53.15 2crl s ASN 14 Cb 0.00 -0.15 0.09 0.00 -1.45 0.00 0.00 41.25 39.74 2crl s ASN 14 CO 0.00 -0.00 1.03 -1.10 -3.72 0.00 0.00 177.10 173.31 2crl s GLN 15 N 0.32 1.93 0.00 0.43 -1.52 -1.26 -5.03 119.66 114.53 2crl s GLN 15 Ca -0.03 -0.46 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 2crl s GLN 15 Cb -0.06 -2.18 0.00 0.00 -0.22 0.00 0.00 33.01 30.55 2crl s GLN 15 CO -0.01 -1.39 0.00 0.41 -0.25 0.00 0.00 175.29 174.06 2crl n GLY 16 N -2.97 2.53 2.79 3.09 0.00 -1.26 -5.14 105.19 104.23 2crl n GLY 16 Ca 0.10 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 2crl n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2crl s THR 17 N 0.00 0.57 -0.26 2.61 -1.32 -1.26 -5.11 115.64 110.86 2crl s THR 17 Ca 0.00 -0.15 -0.27 0.00 -1.21 0.00 0.00 61.69 60.06 2crl s THR 17 Cb 0.00 -0.78 0.01 0.00 -1.51 0.00 0.00 72.50 70.21 2crl s THR 17 CO 0.00 0.16 0.95 -0.22 -2.21 0.00 0.00 174.62 173.30 2crl s LEU 18 N 1.88 4.06 0.12 9.08 0.20 -1.26 -4.20 118.68 128.55 2crl s LEU 18 Ca 0.03 1.10 0.03 0.00 0.69 0.00 0.00 54.13 55.98 2crl s LEU 18 Cb -0.14 -3.37 -0.04 0.00 -0.43 0.00 0.00 46.19 42.21 2crl s LEU 18 CO -0.07 -0.67 -0.07 0.00 -0.29 0.00 0.00 176.35 175.25 2crl s THR 20 N -3.52 5.23 -0.25 0.00 2.01 -1.26 -2.94 115.64 114.91 2crl s THR 20 Ca 0.14 0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.95 2crl s THR 20 Cb 0.04 -3.74 0.05 0.00 0.01 0.00 0.00 72.50 68.86 2crl s THR 20 CO -0.02 0.34 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.38 2crl s LEU 21 N 0.63 3.34 -0.13 4.42 1.43 -1.01 -0.59 118.68 126.78 2crl s LEU 21 Ca 0.22 -1.29 -0.22 0.00 -1.03 0.00 0.00 54.13 51.82 2crl s LEU 21 Cb -0.14 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 2crl s LEU 21 CO 0.08 -0.17 0.64 -1.61 0.23 0.00 0.00 176.35 175.52 2crl s GLU 22 N 1.14 4.34 -0.06 1.70 2.02 -1.06 -1.21 118.70 125.57 2crl s GLU 22 Ca -0.07 0.72 0.01 0.00 0.02 0.00 0.00 54.97 55.66 2crl s GLU 22 Cb -0.19 -3.50 0.02 0.00 0.10 0.00 0.00 34.13 30.56 2crl s GLU 22 CO -0.05 -0.05 -0.07 -0.06 0.02 0.00 0.00 175.26 175.05 2crl s PHE 23 N 1.23 1.01 -0.84 1.61 0.08 0.77 -2.01 117.98 119.82 2crl s PHE 23 Ca 0.32 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.81 2crl s PHE 23 Cb -0.16 -0.83 0.08 0.00 -0.57 0.00 0.00 43.02 41.53 2crl s PHE 23 CO 0.14 -0.24 1.18 0.00 -0.10 0.00 0.00 175.22 176.20 2crl s ALA 24 N 0.92 3.03 0.07 5.36 0.00 0.81 0.24 121.76 132.18 2crl s ALA 24 Ca -0.11 -2.15 -0.02 0.00 0.00 0.00 0.00 51.96 49.68 2crl s ALA 24 Cb -0.15 -4.14 -0.05 0.00 0.00 0.00 0.00 23.12 18.78 2crl s ALA 24 CO 0.01 -3.13 0.26 0.08 0.00 0.00 0.00 175.76 172.98 2crl s VAL 25 N 4.14 5.32 0.12 0.00 1.01 -0.68 -2.46 120.40 127.86 2crl s VAL 25 Ca 0.33 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2crl s VAL 25 Cb -0.08 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2crl s VAL 25 CO 0.00 0.16 0.99 -1.58 0.00 0.00 0.00 175.10 174.68 2crl s GLN 26 N -2.38 4.68 -0.14 2.72 -0.44 -1.26 -4.41 119.66 118.43 2crl s GLN 26 Ca 0.35 1.50 -0.06 0.00 -2.50 0.00 0.00 55.36 54.65 2crl s GLN 26 Cb -0.13 -3.36 0.07 0.00 -1.64 0.00 0.00 33.01 27.95 2crl s GLN 26 CO 0.24 0.18 0.30 -1.64 0.50 0.00 0.00 175.29 174.87 2crl s MET 27 N -0.03 0.20 -0.22 1.67 -1.94 -1.26 -4.90 119.30 112.83 2crl s MET 27 Ca 0.48 0.77 0.10 0.00 -1.71 0.00 0.00 55.69 55.32 2crl s MET 27 Cb -0.24 0.02 -0.21 0.00 2.01 0.00 0.00 34.83 36.40 2crl s MET 27 CO 0.31 -0.25 -0.03 -2.37 -0.01 0.00 0.00 175.02 172.67 2crl n THR 28 N 5.10 1.46 -3.97 2.05 5.66 -1.26 -5.00 114.28 118.32 2crl n THR 28 Ca -0.11 -0.72 -0.12 0.00 -3.05 0.00 0.00 64.05 60.05 2crl n THR 28 Cb 0.51 -0.96 -0.02 0.00 -1.55 0.00 0.00 70.33 68.31 2crl n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2crl n GLN 30 N -0.53 -0.29 0.00 0.00 -0.06 -1.26 -1.59 117.38 113.65 2crl n GLN 30 Ca -0.03 1.37 0.00 0.00 -2.00 0.00 0.00 57.00 56.34 2crl n GLN 30 Cb 0.61 -2.02 0.00 0.00 -4.06 0.00 0.00 30.24 24.77 2crl n GLN 30 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2crl n SER 31 N -5.23 0.00 -0.31 1.69 2.88 -1.26 0.13 113.62 111.52 2crl n SER 31 Ca 0.06 0.63 0.14 0.00 -1.33 0.00 0.00 58.87 58.36 2crl n SER 31 Cb 0.30 -0.31 0.27 0.00 -0.75 0.00 0.00 64.21 63.72 2crl n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2crl h VAL 33 N 0.00 1.25 -0.30 0.00 2.07 0.11 -2.61 116.25 116.78 2crl h VAL 33 Ca 0.55 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2crl h VAL 33 Cb 1.14 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 2crl h VAL 33 CO -0.84 0.34 -0.12 0.44 0.02 0.00 0.00 177.57 177.42 2crl h ASP 34 N 0.75 -0.41 -0.16 0.57 3.32 0.41 -1.08 116.42 119.83 2crl h ASP 34 Ca 0.16 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.32 2crl h ASP 34 Cb 0.41 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2crl h ASP 34 CO 0.01 -0.15 0.08 0.00 -1.72 0.00 0.00 179.24 177.46 2crl h ALA 35 N 1.21 0.19 -0.37 3.45 0.00 -1.27 -0.25 119.26 122.22 2crl h ALA 35 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2crl h ALA 35 Cb 0.30 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 2crl h ALA 35 CO -0.35 -0.35 -0.12 0.28 0.00 0.00 0.00 179.25 178.71 2crl h VAL 36 N 0.17 0.57 0.74 0.00 2.07 -1.02 0.42 116.25 119.20 2crl h VAL 36 Ca 0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 2crl h VAL 36 Cb 0.01 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2crl h VAL 36 CO -0.04 0.00 -0.36 0.03 0.02 0.00 0.00 177.57 177.22 2crl h ARG 37 N -0.04 -0.96 -0.97 1.57 3.08 -0.99 -2.93 114.38 113.14 2crl h ARG 37 Ca 0.18 0.07 0.21 0.00 0.07 0.00 0.00 59.98 60.50 2crl h ARG 37 Cb 0.32 0.22 -0.09 0.00 0.08 0.00 0.00 29.97 30.50 2crl h ARG 37 CO -0.40 -0.62 0.62 -0.22 -1.07 0.00 0.00 179.97 178.28 2crl h LYS 38 N -1.15 0.53 -0.52 0.04 3.64 -0.83 2.02 116.57 120.30 2crl h LYS 38 Ca -0.10 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2crl h LYS 38 Cb 0.78 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 2crl h LYS 38 CO 0.17 0.35 0.35 0.66 -2.27 0.00 0.00 179.45 178.71 2crl h SER 39 N 0.55 0.49 0.00 4.20 4.64 0.02 -2.74 113.55 120.71 2crl h SER 39 Ca 0.53 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.82 2crl h SER 39 Cb 1.11 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.04 2crl h SER 39 CO -0.27 0.34 -0.38 0.18 -0.87 0.00 0.00 176.83 175.82 2crl n LEU 40 N -4.47 1.91 -4.64 5.97 4.77 0.85 -4.92 117.00 116.47 2crl n LEU 40 Ca 0.06 -2.87 -0.43 0.00 -0.03 0.00 0.00 56.01 52.74 2crl n LEU 40 Cb 0.16 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2crl n LEU 40 CO 0.35 0.83 0.91 -1.58 -1.33 0.00 0.00 177.39 176.57 2crl s GLN 41 N -2.15 4.07 -1.71 3.23 0.74 0.65 -3.95 119.66 120.55 2crl s GLN 41 Ca 0.29 1.04 -0.16 0.00 0.05 0.00 0.00 55.36 56.58 2crl s GLN 41 Cb 0.28 -3.73 0.15 0.00 1.10 0.00 0.00 33.01 30.81 2crl s GLN 41 CO -0.03 -0.85 0.63 0.41 -0.55 0.00 0.00 175.29 174.89 2crl n GLY 42 N 3.86 -0.38 3.78 2.59 0.00 -1.26 -4.91 105.19 108.86 2crl n GLY 42 Ca 0.11 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 2crl n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2crl s VAL 43 N -3.45 5.28 -0.20 1.61 1.01 -1.25 -5.00 120.40 118.40 2crl s VAL 43 Ca 0.62 0.56 -0.32 0.00 0.00 0.00 0.00 61.98 62.84 2crl s VAL 43 Cb -0.35 -3.61 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 2crl s VAL 43 CO 0.96 0.47 0.98 0.00 0.00 0.00 0.00 175.10 177.51 2crl n ALA 44 N 2.92 -1.82 0.00 5.51 0.00 -1.26 -0.35 120.51 125.50 2crl n ALA 44 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2crl n ALA 44 Cb 0.52 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2crl n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2crl n GLY 45 N 2.07 2.64 3.70 0.00 0.00 -1.26 -5.01 105.19 107.33 2crl n GLY 45 Ca 0.19 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 2crl n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2crl s VAL 46 N 0.00 2.85 -0.22 1.61 1.01 0.52 -4.12 120.40 122.05 2crl s VAL 46 Ca 0.00 0.39 0.10 0.00 0.00 0.00 0.00 61.98 62.47 2crl s VAL 46 Cb 0.00 -3.25 -0.20 0.00 0.00 0.00 0.00 36.38 32.93 2crl s VAL 46 CO 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 175.10 175.03 2crl n GLN 47 N 5.28 0.71 -3.72 2.72 -0.00 0.56 -4.37 117.38 118.57 2crl n GLN 47 Ca 0.16 0.07 -0.10 0.00 -0.00 0.00 0.00 57.00 57.13 2crl n GLN 47 Cb 0.40 -1.51 -0.05 0.00 -0.00 0.00 0.00 30.24 29.08 2crl n GLN 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2crl s ASP 48 N -5.93 -0.19 -0.28 2.61 2.15 -0.93 -4.99 116.67 109.11 2crl s ASP 48 Ca -0.22 -0.45 -0.03 0.00 0.43 0.00 0.00 52.55 52.28 2crl s ASP 48 Cb 0.07 0.50 0.16 0.00 -0.30 0.00 0.00 42.92 43.35 2crl s ASP 48 CO 0.70 -0.92 0.53 0.54 -0.17 0.00 0.00 175.17 175.85 2crl s VAL 49 N -3.85 -0.86 -0.16 1.11 0.11 -1.26 -0.01 120.40 115.48 2crl s VAL 49 Ca 0.07 -0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 2crl s VAL 49 Cb 0.01 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 2crl s VAL 49 CO -0.08 -0.03 0.16 -1.61 -3.33 0.00 0.00 175.10 170.21 2crl s GLU 50 N 2.76 3.91 -0.27 1.54 0.41 -0.93 -4.94 118.70 121.18 2crl s GLU 50 Ca 0.15 -0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 2crl s GLU 50 Cb -0.15 -3.33 0.05 0.00 -1.78 0.00 0.00 34.13 28.92 2crl s GLU 50 CO -0.19 0.49 -0.06 0.08 -0.49 0.00 0.00 175.26 175.09 2crl s VAL 51 N -0.20 2.63 -0.40 2.63 1.01 -1.26 0.36 120.40 125.16 2crl s VAL 51 Ca 0.12 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 2crl s VAL 51 Cb -0.12 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.85 2crl s VAL 51 CO 0.01 0.03 0.25 -1.00 0.00 0.00 0.00 175.10 174.40 2crl s HIS 52 N 1.22 3.26 0.14 5.22 3.76 -0.40 -4.94 115.29 123.56 2crl s HIS 52 Ca -0.05 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 53.82 2crl s HIS 52 Cb -0.19 -2.65 -0.07 0.00 1.11 0.00 0.00 32.58 30.77 2crl s HIS 52 CO -0.04 -0.71 1.32 1.25 -0.85 0.00 0.00 174.74 175.72 2crl h LEU 53 N 8.49 0.32 -0.73 0.89 5.85 -1.94 0.56 115.31 128.75 2crl h LEU 53 Ca -0.25 -0.27 0.13 0.00 0.84 0.00 0.00 57.88 58.32 2crl h LEU 53 Cb 1.10 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 2crl h LEU 53 CO 0.72 1.10 0.29 1.05 -0.34 0.00 0.00 178.44 181.26 2crl h GLU 54 N 0.12 0.44 -0.20 1.25 4.11 -1.95 -1.83 114.58 116.52 2crl h GLU 54 Ca -0.06 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.29 2crl h GLU 54 Cb 1.60 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 2crl h GLU 54 CO 0.15 0.29 -0.07 -0.25 0.07 0.00 0.00 179.01 179.20 2crl n ASP 55 N -4.99 2.89 -4.32 3.06 8.00 -1.23 -4.96 116.55 114.99 2crl n ASP 55 Ca 0.13 -3.35 -0.37 0.00 0.71 0.00 0.00 54.79 51.90 2crl n ASP 55 Cb 0.37 -0.55 -0.08 0.00 -0.02 0.00 0.00 41.12 40.85 2crl n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crl n GLN 56 N -0.97 -0.79 -3.82 -1.24 1.13 -0.44 -4.90 117.38 106.36 2crl n GLN 56 Ca 0.24 0.12 -0.21 0.00 -1.94 0.00 0.00 57.00 55.21 2crl n GLN 56 Cb 0.86 -4.13 -0.02 0.00 0.11 0.00 0.00 30.24 27.05 2crl n GLN 56 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2crl s MET 57 N -6.95 3.11 -0.26 -1.09 -1.94 0.18 -1.68 119.30 110.68 2crl s MET 57 Ca 0.57 -0.99 -0.02 0.00 -1.71 0.00 0.00 55.69 53.53 2crl s MET 57 Cb -0.33 -2.73 0.13 0.00 2.01 0.00 0.00 34.83 33.91 2crl s MET 57 CO 0.96 0.25 0.31 0.08 -0.01 0.00 0.00 175.02 176.61 2crl s VAL 58 N -2.13 -0.46 0.30 -6.03 1.01 0.65 -1.28 120.40 112.46 2crl s VAL 58 Ca 0.38 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 2crl s VAL 58 Cb -0.08 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.36 2crl s VAL 58 CO 0.28 -0.29 0.66 -0.76 0.00 0.00 0.00 175.10 174.99 2crl s LEU 59 N 2.42 4.06 -0.23 3.92 1.02 0.16 -0.17 118.68 129.86 2crl s LEU 59 Ca 0.10 1.07 -0.04 0.00 0.02 0.00 0.00 54.13 55.28 2crl s LEU 59 Cb -0.15 -3.88 0.09 0.00 0.02 0.00 0.00 46.19 42.27 2crl s LEU 59 CO -0.23 -0.19 0.14 -0.69 0.02 0.00 0.00 176.35 175.40 2crl s VAL 60 N -2.01 -0.15 -0.94 -1.59 1.01 -0.35 -2.18 120.40 114.20 2crl s VAL 60 Ca 0.50 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 2crl s VAL 60 Cb -0.11 -0.78 0.10 0.00 0.00 0.00 0.00 36.38 35.59 2crl s VAL 60 CO 0.22 -0.46 1.22 -1.00 0.00 0.00 0.00 175.10 175.09 2crl s HIS 61 N 2.17 2.89 0.12 5.22 3.76 0.99 -2.41 115.29 128.03 2crl s HIS 61 Ca 0.06 -1.14 -0.00 0.00 -0.15 0.00 0.00 55.06 53.83 2crl s HIS 61 Cb -0.16 -4.42 -0.04 0.00 1.11 0.00 0.00 32.58 29.07 2crl s HIS 61 CO -0.22 -1.65 0.02 -0.08 -0.85 0.00 0.00 174.74 171.95 2crl s THR 62 N 3.55 0.26 -2.02 1.30 -1.32 -1.15 -0.32 115.64 115.94 2crl s THR 62 Ca 0.36 -1.90 0.14 0.00 -1.21 0.00 0.00 61.69 59.08 2crl s THR 62 Cb -0.04 -1.90 0.38 0.00 -1.51 0.00 0.00 72.50 69.42 2crl s THR 62 CO -0.08 -0.62 1.32 0.35 -2.21 0.00 0.00 174.62 173.38 2crl n THR 63 N -0.06 0.54 -3.85 5.08 -2.24 -1.26 -2.06 114.28 110.43 2crl n THR 63 Ca -0.08 -0.55 -0.29 0.00 -2.27 0.00 0.00 64.05 60.86 2crl n THR 63 Cb 0.63 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 2crl n THR 63 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2crl s LEU 64 N -1.04 4.31 0.43 3.22 1.43 -1.26 -4.25 118.68 121.52 2crl s LEU 64 Ca 0.28 0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 53.45 2crl s LEU 64 Cb 0.15 -3.04 -0.08 0.00 0.03 0.00 0.00 46.19 43.25 2crl s LEU 64 CO 0.20 0.07 1.18 -2.16 0.23 0.00 0.00 176.35 175.87 2crl s PRO 65 N -2.93 3.88 0.06 1.29 0.04 -1.26 -4.80 135.00 131.27 2crl s PRO 65 Ca 0.36 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 2crl s PRO 65 Cb -0.12 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 2crl s PRO 65 CO 0.28 -0.46 1.01 0.43 0.04 0.00 0.00 177.00 178.29 2crl n SER 66 N -0.23 -0.37 -0.24 6.66 7.64 -1.26 0.93 113.62 126.74 2crl n SER 66 Ca 0.06 1.09 0.16 0.00 1.01 0.00 0.00 58.87 61.19 2crl n SER 66 Cb 0.47 -0.31 0.31 0.00 -1.01 0.00 0.00 64.21 63.66 2crl n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2crl n GLN 67 N -3.76 -0.05 0.19 1.43 10.64 -1.26 0.12 117.38 124.69 2crl n GLN 67 Ca 0.01 1.05 -0.15 0.00 -1.83 0.00 0.00 57.00 56.08 2crl n GLN 67 Cb 0.09 -1.76 -0.08 0.00 -0.86 0.00 0.00 30.24 27.63 2crl n GLN 67 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2crl h GLU 68 N 0.00 -0.43 0.45 2.61 4.81 0.20 -2.71 114.58 119.52 2crl h GLU 68 Ca 0.52 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.75 2crl h GLU 68 Cb 1.22 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2crl h GLU 68 CO -0.63 -0.22 -0.22 0.28 -0.73 0.00 0.00 179.01 177.49 2crl h VAL 69 N -0.54 0.44 -0.85 0.32 2.07 0.13 -3.01 116.25 114.81 2crl h VAL 69 Ca -0.05 -0.47 0.14 0.00 0.82 0.00 0.00 66.70 67.15 2crl h VAL 69 Cb 0.40 0.61 -0.14 0.00 -1.52 0.00 0.00 31.29 30.64 2crl h VAL 69 CO 0.07 0.07 -0.29 1.67 0.02 0.00 0.00 177.57 179.11 2crl n GLN 70 N -5.24 -0.16 -0.12 1.57 7.27 0.16 0.10 117.38 120.97 2crl n GLN 70 Ca -0.10 1.31 -0.06 0.00 0.07 0.00 0.00 57.00 58.22 2crl n GLN 70 Cb 0.30 -1.95 0.03 0.00 2.41 0.00 0.00 30.24 31.03 2crl n GLN 70 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2crl h ALA 71 N 1.35 0.48 -0.89 1.69 0.00 -1.49 -1.58 119.26 118.82 2crl h ALA 71 Ca 0.33 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.41 2crl h ALA 71 Cb 0.55 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2crl h ALA 71 CO -0.85 -0.23 0.57 -0.07 0.00 0.00 0.00 179.25 178.68 2crl h LEU 72 N 0.33 0.71 0.07 0.00 3.38 0.84 -1.77 115.31 118.88 2crl h LEU 72 Ca 0.18 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2crl h LEU 72 Cb 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2crl h LEU 72 CO -0.17 0.38 -0.03 -0.07 0.09 0.00 0.00 178.44 178.64 2crl h LEU 73 N 0.77 -0.08 -2.34 1.67 3.38 -0.28 -2.81 115.31 115.61 2crl h LEU 73 Ca 0.44 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2crl h LEU 73 Cb 0.60 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2crl h LEU 73 CO -0.20 0.28 0.19 -0.33 0.09 0.00 0.00 178.44 178.47 2crl h GLU 74 N -0.45 0.00 -0.14 1.13 5.08 -0.71 -0.87 114.58 118.62 2crl h GLU 74 Ca -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2crl h GLU 74 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2crl h GLU 74 CO 0.02 0.00 0.15 0.78 -1.00 0.00 0.00 179.01 178.96 2crl h GLY 75 N 0.00 0.00 2.00 -3.84 0.00 -1.07 0.13 103.07 100.30 2crl h GLY 75 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2crl h GLY 75 CO -0.00 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.63 2crl h THR 76 N 0.00 0.00 0.00 4.70 1.35 -1.30 -3.47 112.91 114.20 2crl h THR 76 Ca 0.07 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2crl h THR 76 Cb 0.38 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2crl h THR 76 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2crl n GLY 77 N 0.30 1.25 3.92 5.82 0.00 0.47 -5.09 105.19 111.85 2crl n GLY 77 Ca 0.02 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2crl n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2crl s ARG 78 N 0.00 1.54 -0.14 1.61 1.70 -1.26 -5.03 118.95 117.37 2crl s ARG 78 Ca 0.00 -0.12 -0.04 0.00 -0.47 0.00 0.00 55.73 55.10 2crl s ARG 78 Cb 0.00 -1.95 -0.03 0.00 -0.57 0.00 0.00 34.95 32.40 2crl s ARG 78 CO 0.00 -1.83 -0.01 -1.14 -1.08 0.00 0.00 175.30 171.24 2crl s GLN 79 N -5.64 3.57 -0.16 3.89 0.74 -1.26 -4.22 119.66 116.58 2crl s GLN 79 Ca 0.66 -0.47 -0.06 0.00 0.05 0.00 0.00 55.36 55.54 2crl s GLN 79 Cb -0.08 -2.94 -0.04 0.00 1.10 0.00 0.00 33.01 31.05 2crl s GLN 79 CO 0.50 0.35 0.05 0.00 -0.55 0.00 0.00 175.29 175.64 2crl s ALA 80 N 0.09 3.40 -0.35 1.58 0.00 -1.26 -4.36 121.76 120.85 2crl s ALA 80 Ca 0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 2crl s ALA 80 Cb -0.13 -1.83 0.07 0.00 0.00 0.00 0.00 23.12 21.23 2crl s ALA 80 CO 0.02 0.28 0.10 0.08 0.00 0.00 0.00 175.76 176.24 2crl s VAL 81 N 0.07 3.27 0.37 0.00 1.01 -1.03 -4.93 120.40 119.16 2crl s VAL 81 Ca 0.05 -1.61 -0.28 0.00 0.00 0.00 0.00 61.98 60.14 2crl s VAL 81 Cb -0.12 -3.02 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 2crl s VAL 81 CO 0.01 -0.36 1.46 -0.11 0.00 0.00 0.00 175.10 176.10 2crl n LEU 82 N 4.65 4.53 -0.04 3.92 7.94 -1.26 -0.14 117.00 136.61 2crl n LEU 82 Ca -0.09 1.22 -0.06 0.00 -1.11 0.00 0.00 56.01 55.98 2crl n LEU 82 Cb 0.43 -1.59 -0.03 0.00 0.53 0.00 0.00 43.42 42.75 2crl n LEU 82 CO 0.30 0.04 -0.74 0.29 -1.11 0.00 0.00 177.39 176.17 2crl n LYS 83 N 0.54 0.17 0.00 1.96 4.76 -0.85 -4.84 118.16 119.91 2crl n LYS 83 Ca 0.02 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2crl n LYS 83 Cb 0.38 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.54 2crl n LYS 83 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2crl n GLY 84 N 2.97 2.17 3.52 0.72 0.00 -1.23 -5.06 105.19 108.27 2crl n GLY 84 Ca -0.13 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2crl n GLY 84 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2crl s MET 85 N -0.37 1.84 0.03 1.61 0.23 -1.26 -2.56 119.30 118.82 2crl s MET 85 Ca 0.00 -1.66 -0.30 0.00 -1.03 0.00 0.00 55.69 52.70 2crl s MET 85 Cb 0.00 -1.88 -0.05 0.00 -1.53 0.00 0.00 34.83 31.37 2crl s MET 85 CO 0.00 0.34 1.12 0.20 -2.03 0.00 0.00 175.02 174.66 2crl s GLY 86 N -3.51 2.56 0.18 3.16 0.00 0.25 -5.00 107.32 104.96 2crl s GLY 86 Ca 0.30 0.73 -0.30 0.00 0.00 0.00 0.00 44.72 45.45 2crl s GLY 86 CO 0.16 1.93 0.95 -0.45 0.00 0.00 0.00 173.10 175.69 2crl s SER 87 N 1.06 7.57 -0.46 1.64 0.15 -1.26 -4.55 113.70 117.85 2crl s SER 87 Ca 0.56 1.87 -0.16 0.00 0.70 0.00 0.00 55.95 58.92 2crl s SER 87 Cb -0.26 -2.60 0.06 0.00 -1.71 0.00 0.00 66.02 61.51 2crl s SER 87 CO 0.28 0.05 0.43 -0.83 1.20 0.00 0.00 173.24 174.37 2crl s GLY 88 N -0.61 1.98 0.29 9.45 0.00 -1.26 -5.05 107.32 112.12 2crl s GLY 88 Ca 0.44 -1.92 -0.30 0.00 0.00 0.00 0.00 44.72 42.94 2crl s GLY 88 CO 0.31 1.12 1.31 -1.06 0.00 0.00 0.00 173.10 174.78 2crl n GLN 89 N 5.41 1.99 -3.13 2.90 1.13 -1.26 -4.95 117.38 119.47 2crl n GLN 89 Ca -0.11 0.70 -0.39 0.00 -1.94 0.00 0.00 57.00 55.26 2crl n GLN 89 Cb 0.45 -2.29 -0.05 0.00 0.11 0.00 0.00 30.24 28.45 2crl n GLN 89 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2crl s LEU 90 N -0.33 4.30 -0.01 1.08 1.98 -1.26 -4.95 118.68 119.49 2crl s LEU 90 Ca 0.62 1.06 -0.03 0.00 -2.89 0.00 0.00 54.13 52.88 2crl s LEU 90 Cb -0.62 -2.95 -0.15 0.00 0.66 0.00 0.00 46.19 43.12 2crl s LEU 90 CO 0.56 -0.08 2.93 1.67 -1.89 0.00 0.00 176.35 179.55 2crl n GLN 91 N 3.76 1.60 -2.33 1.98 7.27 -1.26 -4.92 117.38 123.48 2crl n GLN 91 Ca -0.03 -0.63 -0.37 0.00 0.07 0.00 0.00 57.00 56.05 2crl n GLN 91 Cb 0.51 -1.59 -0.02 0.00 2.41 0.00 0.00 30.24 31.55 2crl n GLN 91 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2crl s ASN 92 N 1.95 6.28 -0.30 1.69 3.84 -1.26 -5.03 114.94 122.10 2crl s ASN 92 Ca 0.39 2.22 -0.01 0.00 0.21 0.00 0.00 52.86 55.67 2crl s ASN 92 Cb 0.19 -2.60 0.10 0.00 -0.55 0.00 0.00 41.25 38.39 2crl s ASN 92 CO -0.00 -0.84 0.09 -0.55 -2.79 0.00 0.00 177.10 173.01 2crl s SER 93 N -1.46 3.91 0.00 -4.21 0.15 -1.26 -5.04 113.70 105.79 2crl s SER 93 Ca 0.63 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2crl s SER 93 Cb -0.26 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2crl s SER 93 CO 0.32 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2crl n GLY 94 N 4.87 1.02 0.00 9.45 0.00 -1.26 -4.39 105.19 114.88 2crl n GLY 94 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2crl n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crl n PRO 95 N -0.92 0.33 -4.47 1.61 -0.04 -1.26 -4.75 135.00 125.50 2crl n PRO 95 Ca 0.00 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 2crl n PRO 95 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2crl n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2crl s SER 96 N -2.32 2.48 -0.03 3.54 0.15 -1.26 -5.08 113.70 111.18 2crl s SER 96 Ca 0.18 -1.49 -0.01 0.00 0.70 0.00 0.00 55.95 55.33 2crl s SER 96 Cb 0.10 0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 2crl s SER 96 CO 0.20 -0.74 -0.03 -1.20 1.20 0.00 0.00 173.24 172.67 2crl n SER 97 N -0.91 1.56 0.00 5.45 7.64 -1.26 -4.70 113.62 121.40 2crl n SER 97 Ca -0.04 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2crl n SER 97 Cb 0.66 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2crl n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64