#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eed h SER 2 N 0.00 -0.85 -3.55 1.61 0.02 -2.13 -3.40 113.55 105.25 2eed h SER 2 Ca 0.00 0.29 -0.43 0.00 -0.84 0.00 0.00 61.79 60.81 2eed h SER 2 Cb 0.00 0.59 0.19 0.00 0.14 0.00 0.00 62.40 63.31 2eed h SER 2 CO 0.00 -0.32 0.11 -0.94 -1.14 0.00 0.00 176.83 174.54 2eed s SER 3 N -5.23 1.26 -0.65 3.07 1.04 -1.26 -5.01 113.70 106.92 2eed s SER 3 Ca -0.15 0.93 0.05 0.00 0.48 0.00 0.00 55.95 57.27 2eed s SER 3 Cb 0.27 -1.40 0.20 0.00 0.10 0.00 0.00 66.02 65.18 2eed s SER 3 CO 0.78 -3.95 0.57 0.61 0.98 0.00 0.00 173.24 172.23 2eed n GLY 4 N -0.56 4.09 3.53 7.32 0.00 -1.26 -5.03 105.19 113.28 2eed n GLY 4 Ca 0.09 -2.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 2eed n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eed s SER 5 N -1.68 6.52 0.29 1.61 0.01 -1.26 -4.99 113.70 114.20 2eed s SER 5 Ca 0.31 -1.58 -0.29 0.00 1.31 0.00 0.00 55.95 55.70 2eed s SER 5 Cb 0.04 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.65 2eed s SER 5 CO -0.12 -1.40 1.12 -0.44 0.41 0.00 0.00 173.24 172.82 2eed s SER 6 N 4.57 7.19 0.00 2.44 0.01 -1.26 -4.94 113.70 121.71 2eed s SER 6 Ca 0.42 2.30 0.00 0.00 1.31 0.00 0.00 55.95 59.98 2eed s SER 6 Cb -0.02 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2eed s SER 6 CO -0.09 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2eed n GLY 7 N 1.11 4.26 3.17 3.44 0.00 -1.26 -5.02 105.19 110.89 2eed n GLY 7 Ca -0.01 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 2eed n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eed s SER 8 N 0.00 6.33 -0.56 1.61 0.01 -1.26 -5.03 113.70 114.80 2eed s SER 8 Ca 0.00 -3.69 -0.25 0.00 1.31 0.00 0.00 55.95 53.32 2eed s SER 8 Cb 0.00 -1.98 0.04 0.00 0.21 0.00 0.00 66.02 64.28 2eed s SER 8 CO 0.00 -0.21 1.01 -0.44 0.41 0.00 0.00 173.24 174.01 2eed s SER 9 N 0.23 6.37 0.06 2.44 0.01 -1.26 -4.67 113.70 116.88 2eed s SER 9 Ca 0.28 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.35 2eed s SER 9 Cb -0.08 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2eed s SER 9 CO -0.11 -1.30 0.09 -1.81 0.41 0.00 0.00 173.24 170.51 2eed s ASP 10 N 2.87 5.61 -0.18 2.44 1.11 -0.68 -4.99 116.67 122.84 2eed s ASP 10 Ca 0.34 0.04 -0.03 0.00 0.18 0.00 0.00 52.55 53.08 2eed s ASP 10 Cb -0.11 -1.54 -0.22 0.00 1.07 0.00 0.00 42.92 42.12 2eed s ASP 10 CO 0.21 0.20 0.10 0.00 1.18 0.00 0.00 175.17 176.86 2eed n ALA 11 N 0.63 1.12 0.23 5.23 0.00 -1.26 -4.16 120.51 122.31 2eed n ALA 11 Ca -0.09 -0.82 0.16 0.00 0.00 0.00 0.00 53.44 52.69 2eed n ALA 11 Cb 0.52 -0.42 0.71 0.00 0.00 0.00 0.00 19.45 20.26 2eed n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2eed h SER 12 N 0.00 0.00 0.29 0.00 0.87 -1.94 0.28 113.55 113.06 2eed h SER 12 Ca -0.49 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.74 2eed h SER 12 Cb 1.96 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.95 2eed h SER 12 CO -0.00 0.00 -1.42 0.11 -0.53 0.00 0.00 176.83 174.99 2eed h LYS 13 N 0.00 0.53 -6.50 2.24 1.79 -1.88 -3.44 116.57 109.29 2eed h LYS 13 Ca 0.09 -0.87 -0.61 0.00 -2.18 0.00 0.00 60.65 57.08 2eed h LYS 13 Cb 1.01 0.32 0.09 0.00 -1.58 0.00 0.00 32.23 32.07 2eed h LYS 13 CO -0.00 1.41 0.39 0.28 -1.08 0.00 0.00 179.45 180.45 2eed n VAL 14 N -3.71 1.27 -4.69 0.50 0.31 1.00 -4.79 118.33 108.22 2eed n VAL 14 Ca -0.15 -0.32 -0.29 0.00 -0.01 0.00 0.00 64.34 63.57 2eed n VAL 14 Cb 1.08 -1.19 -0.14 0.00 -0.91 0.00 0.00 33.84 32.68 2eed n VAL 14 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2eed s THR 15 N -0.42 2.09 -0.04 2.52 -4.23 -0.64 -4.65 115.64 110.27 2eed s THR 15 Ca 0.66 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 2eed s THR 15 Cb -0.71 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.32 2eed s THR 15 CO 0.54 0.24 -0.09 -0.94 -0.54 0.00 0.00 174.62 173.83 2eed s SER 16 N -1.51 1.26 0.17 3.99 1.04 -1.26 -0.13 113.70 117.27 2eed s SER 16 Ca 0.12 -0.20 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 2eed s SER 16 Cb -0.10 -0.43 -0.04 0.00 0.10 0.00 0.00 66.02 65.55 2eed s SER 16 CO 0.03 0.04 0.08 -1.59 0.98 0.00 0.00 173.24 172.78 2eed s LYS 17 N 0.38 1.09 0.00 4.02 0.00 -0.51 -5.02 119.74 119.70 2eed s LYS 17 Ca -0.06 -1.55 0.00 0.00 0.00 0.00 0.00 55.97 54.35 2eed s LYS 17 Cb -0.11 0.12 0.00 0.00 0.00 0.00 0.00 37.83 37.85 2eed s LYS 17 CO 0.01 -0.29 0.00 0.41 0.00 0.00 0.00 175.35 175.48 2eed n GLY 18 N -0.21 0.35 1.27 0.59 0.00 -1.26 -1.90 105.19 104.02 2eed n GLY 18 Ca -0.03 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2eed n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eed n ALA 19 N -1.00 3.00 -0.43 4.61 0.00 -1.23 -4.69 120.51 120.76 2eed n ALA 19 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.80 2eed n ALA 19 Cb 0.00 0.36 0.68 0.00 0.00 0.00 0.00 19.45 20.48 2eed n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2eed h GLY 20 N 0.00 0.72 1.04 0.00 0.00 -1.54 0.67 103.07 103.97 2eed h GLY 20 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 2eed h GLY 20 CO 0.00 -0.17 -0.24 1.41 0.00 0.00 0.00 176.54 177.54 2eed h LEU 21 N 0.11 0.88 0.07 3.11 3.38 -1.86 -3.33 115.31 117.68 2eed h LEU 21 Ca 0.73 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2eed h LEU 21 Cb 2.48 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.99 2eed h LEU 21 CO -0.22 1.12 -0.04 -1.28 0.09 0.00 0.00 178.44 178.12 2eed h SER 22 N 0.65 -0.08 -5.07 -0.43 0.87 -0.12 -3.39 113.55 105.97 2eed h SER 22 Ca 0.08 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2eed h SER 22 Cb 0.81 0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.71 2eed h SER 22 CO 0.07 0.56 0.09 -1.59 -0.53 0.00 0.00 176.83 175.43 2eed s LYS 23 N -2.36 1.51 0.21 2.24 -2.85 0.85 -3.75 119.74 115.59 2eed s LYS 23 Ca -0.09 -0.90 -0.00 0.00 -1.00 0.00 0.00 55.97 53.97 2eed s LYS 23 Cb -0.01 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2eed s LYS 23 CO 0.33 -0.66 0.13 0.00 0.10 0.00 0.00 175.35 175.26 2eed s ALA 24 N -3.89 1.26 -0.03 0.59 0.00 -0.89 -3.34 121.76 115.47 2eed s ALA 24 Ca 0.10 -1.73 0.02 0.00 0.00 0.00 0.00 51.96 50.35 2eed s ALA 24 Cb -0.02 1.36 0.01 0.00 0.00 0.00 0.00 23.12 24.47 2eed s ALA 24 CO 0.00 -0.58 -0.06 -0.06 0.00 0.00 0.00 175.76 175.06 2eed s PHE 25 N -4.08 0.81 0.26 0.00 0.40 -1.26 -4.03 117.98 110.08 2eed s PHE 25 Ca 0.39 -0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 56.20 2eed s PHE 25 Cb 0.07 -0.64 -0.13 0.00 0.51 0.00 0.00 43.02 42.82 2eed s PHE 25 CO 0.13 -0.15 1.34 0.28 0.70 0.00 0.00 175.22 177.52 2eed n VAL 26 N 3.68 1.26 0.00 -0.44 0.31 -1.26 -1.66 118.33 120.22 2eed n VAL 26 Ca -0.22 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2eed n VAL 26 Cb 0.53 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 2eed n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2eed n GLY 27 N 1.76 1.24 3.79 2.92 0.00 -0.98 -4.96 105.19 108.95 2eed n GLY 27 Ca 0.10 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2eed n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eed s GLN 28 N 0.00 4.04 -0.19 1.61 -0.21 -0.66 -4.95 119.66 119.29 2eed s GLN 28 Ca 0.00 1.49 -0.22 0.00 0.02 0.00 0.00 55.36 56.65 2eed s GLN 28 Cb 0.00 -2.41 -0.02 0.00 1.00 0.00 0.00 33.01 31.58 2eed s GLN 28 CO 0.00 -0.25 0.69 0.21 -2.12 0.00 0.00 175.29 173.82 2eed s LYS 29 N -2.72 4.24 -0.14 2.91 2.20 -1.26 -4.62 119.74 120.35 2eed s LYS 29 Ca 0.61 0.74 -0.02 0.00 -0.36 0.00 0.00 55.97 56.94 2eed s LYS 29 Cb -0.21 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 2eed s LYS 29 CO 0.26 -0.27 -0.07 -1.12 -0.36 0.00 0.00 175.35 173.79 2eed s SER 30 N 1.18 4.51 0.19 1.43 0.01 -1.19 -5.02 113.70 114.81 2eed s SER 30 Ca 0.32 -0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.46 2eed s SER 30 Cb -0.16 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 2eed s SER 30 CO 0.11 0.18 -0.15 -0.94 0.41 0.00 0.00 173.24 172.85 2eed s SER 31 N 0.29 2.55 -0.15 2.44 1.04 -1.26 -2.26 113.70 116.35 2eed s SER 31 Ca -0.06 -0.97 -0.11 0.00 0.48 0.00 0.00 55.95 55.29 2eed s SER 31 Cb -0.15 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.88 2eed s SER 31 CO 0.04 -0.14 0.38 0.72 0.98 0.00 0.00 173.24 175.22 2eed s PHE 32 N -2.71 -0.47 -0.03 5.02 -0.71 -0.72 -3.08 117.98 115.29 2eed s PHE 32 Ca 0.20 1.08 -0.02 0.00 -1.04 0.00 0.00 56.93 57.15 2eed s PHE 32 Cb -0.02 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 2eed s PHE 32 CO 0.06 -0.25 0.10 -1.17 -1.34 0.00 0.00 175.22 172.62 2eed s LEU 33 N 0.68 4.01 -0.21 -1.99 1.98 -0.80 -2.74 118.68 119.62 2eed s LEU 33 Ca -0.04 0.23 0.01 0.00 -2.89 0.00 0.00 54.13 51.43 2eed s LEU 33 Cb -0.05 -2.25 0.05 0.00 0.66 0.00 0.00 46.19 44.60 2eed s LEU 33 CO -0.05 0.30 -0.08 -0.69 -1.89 0.00 0.00 176.35 173.95 2eed s VAL 34 N -1.16 1.55 -0.23 1.68 1.01 -1.14 -1.43 120.40 120.68 2eed s VAL 34 Ca 0.21 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 2eed s VAL 34 Cb -0.12 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2eed s VAL 34 CO 0.12 0.07 0.79 -1.81 0.00 0.00 0.00 175.10 174.27 2eed s ASP 35 N 1.42 6.81 -0.25 3.32 1.01 0.82 -2.75 116.67 127.04 2eed s ASP 35 Ca -0.03 1.01 0.09 0.00 0.71 0.00 0.00 52.55 54.33 2eed s ASP 35 Cb -0.17 -2.42 0.44 0.00 1.01 0.00 0.00 42.92 41.78 2eed s ASP 35 CO -0.07 -0.46 1.20 0.00 0.21 0.00 0.00 175.17 176.05 2eed h SER 37 N 1.69 -1.01 -0.72 0.00 0.87 -1.87 -3.00 113.55 109.52 2eed h SER 37 Ca 0.20 0.03 -0.34 0.00 -1.23 0.00 0.00 61.79 60.46 2eed h SER 37 Cb 1.32 0.26 -0.20 0.00 -0.44 0.00 0.00 62.40 63.34 2eed h SER 37 CO 0.43 -0.72 0.43 0.29 -0.53 0.00 0.00 176.83 176.73 2eed n LYS 38 N -5.21 2.25 -0.09 2.24 4.76 -1.26 -4.35 118.16 116.50 2eed n LYS 38 Ca -0.15 -2.32 -0.12 0.00 -2.87 0.00 0.00 58.31 52.86 2eed n LYS 38 Cb 0.47 -1.93 -0.05 0.00 -1.84 0.00 0.00 35.03 31.68 2eed n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2eed n ALA 39 N -0.58 0.70 0.00 7.82 0.00 -1.13 -4.79 120.51 122.52 2eed n ALA 39 Ca 0.42 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2eed n ALA 39 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.71 2eed n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eed n GLY 40 N 1.50 -0.78 0.82 0.00 0.00 -1.25 -1.69 105.19 103.80 2eed n GLY 40 Ca -0.19 -1.11 0.07 0.00 0.00 0.00 0.00 46.02 44.78 2eed n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eed n SER 41 N 0.88 3.47 -3.78 1.61 7.64 -1.26 -4.92 113.62 117.26 2eed n SER 41 Ca 0.00 -3.14 -0.26 0.00 1.01 0.00 0.00 58.87 56.48 2eed n SER 41 Cb 0.00 -0.54 0.18 0.00 -1.01 0.00 0.00 64.21 62.83 2eed n SER 41 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2eed n ASN 42 N -0.73 0.21 -4.65 6.43 2.85 -1.26 -5.08 115.26 113.03 2eed n ASN 42 Ca 0.22 -1.50 -0.35 0.00 -0.11 0.00 0.00 54.58 52.85 2eed n ASN 42 Cb 0.88 -0.88 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 2eed n ASN 42 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2eed s MET 43 N -5.54 3.04 0.02 1.20 0.23 -1.26 -4.98 119.30 112.00 2eed s MET 43 Ca 0.67 -0.43 -0.15 0.00 -1.03 0.00 0.00 55.69 54.75 2eed s MET 43 Cb -0.02 -2.79 -0.06 0.00 -1.53 0.00 0.00 34.83 30.43 2eed s MET 43 CO 0.47 0.64 0.42 -1.17 -2.03 0.00 0.00 175.02 173.36 2eed s LEU 44 N -0.73 4.46 0.14 0.18 2.96 -1.26 -3.03 118.68 121.40 2eed s LEU 44 Ca 0.11 0.97 -0.04 0.00 -0.22 0.00 0.00 54.13 54.96 2eed s LEU 44 Cb -0.12 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 2eed s LEU 44 CO 0.02 0.30 0.13 -1.48 -1.32 0.00 0.00 176.35 174.01 2eed s LEU 45 N -1.19 1.52 0.07 -0.68 0.05 -1.13 -5.05 118.68 112.26 2eed s LEU 45 Ca 0.25 -1.07 0.08 0.00 0.05 0.00 0.00 54.13 53.44 2eed s LEU 45 Cb -0.17 0.62 -0.03 0.00 -2.05 0.00 0.00 46.19 44.56 2eed s LEU 45 CO 0.14 -0.78 -0.21 -0.63 -0.55 0.00 0.00 176.35 174.33 2eed s ILE 46 N -4.01 1.67 -0.43 1.48 -1.09 -1.26 -2.84 121.20 114.71 2eed s ILE 46 Ca 0.21 -1.33 0.10 0.00 -2.23 0.00 0.00 60.65 57.40 2eed s ILE 46 Cb 0.06 -1.48 0.38 0.00 -1.58 0.00 0.00 42.46 39.84 2eed s ILE 46 CO 0.00 0.09 0.90 0.61 -1.23 0.00 0.00 174.94 175.32 2eed n GLY 47 N 1.55 4.16 3.46 6.18 0.00 0.11 -4.97 105.19 115.68 2eed n GLY 47 Ca -0.18 -2.10 -0.45 0.00 0.00 0.00 0.00 46.02 43.29 2eed n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2eed n VAL 48 N -0.07 1.82 -1.96 1.61 0.24 -1.26 -4.23 118.33 114.49 2eed n VAL 48 Ca 0.26 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.74 2eed n VAL 48 Cb 0.62 -0.46 0.02 0.00 -1.47 0.00 0.00 33.84 32.54 2eed n VAL 48 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 2eed s HIS 49 N -1.22 3.10 -0.42 6.34 -3.43 -1.25 -4.97 115.29 113.44 2eed s HIS 49 Ca 0.62 1.48 0.09 0.00 -0.80 0.00 0.00 55.06 56.44 2eed s HIS 49 Cb -0.74 -2.94 0.34 0.00 -1.43 0.00 0.00 32.58 27.82 2eed s HIS 49 CO 0.58 -1.04 1.05 0.41 -2.00 0.00 0.00 174.74 173.74 2eed n GLY 50 N -1.37 1.48 0.07 -1.38 0.00 -1.26 -4.34 105.19 98.40 2eed n GLY 50 Ca 0.08 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 2eed n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eed h PRO 51 N 2.87 -0.05 0.00 1.61 0.13 -2.00 -3.45 132.00 131.12 2eed h PRO 51 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2eed h PRO 51 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2eed h PRO 51 CO 0.22 0.42 -0.31 0.25 -0.23 0.00 0.00 178.00 178.35 2eed n THR 52 N -4.88 0.08 -3.78 1.56 -2.24 -1.26 -5.00 114.28 98.74 2eed n THR 52 Ca -0.08 0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 2eed n THR 52 Cb 0.25 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.48 2eed n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2eed s THR 53 N -2.00 1.81 1.24 4.28 2.01 -1.26 -5.12 115.64 116.61 2eed s THR 53 Ca 0.00 -2.91 -0.21 0.00 0.31 0.00 0.00 61.69 58.89 2eed s THR 53 Cb 0.00 -2.26 0.31 0.00 0.01 0.00 0.00 72.50 70.56 2eed s THR 53 CO 0.00 -0.89 1.11 -2.16 -0.69 0.00 0.00 174.62 171.99 2eed s PRO 54 N 0.02 -1.56 0.56 4.92 0.04 -1.26 -4.94 135.00 132.79 2eed s PRO 54 Ca 0.19 -0.18 -0.17 0.00 0.04 0.00 0.00 61.00 60.87 2eed s PRO 54 Cb -0.22 -1.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.70 2eed s PRO 54 CO -0.02 -3.91 1.07 0.00 0.04 0.00 0.00 177.00 174.18 2eed h GLU 56 N 0.82 1.19 -2.26 0.00 5.08 -1.14 -3.47 114.58 114.79 2eed h GLU 56 Ca -0.48 -0.18 0.21 0.00 -1.00 0.00 0.00 59.36 57.91 2eed h GLU 56 Cb 1.23 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.21 2eed h GLU 56 CO 0.57 0.92 0.64 -1.83 -1.00 0.00 0.00 179.01 178.31 2eed s GLU 57 N -5.65 1.03 -0.25 2.33 -1.05 -1.26 -4.99 118.70 108.86 2eed s GLU 57 Ca -0.12 -0.63 -0.02 0.00 -0.15 0.00 0.00 54.97 54.05 2eed s GLU 57 Cb 0.16 0.31 0.12 0.00 -0.44 0.00 0.00 34.13 34.29 2eed s GLU 57 CO 0.83 -0.48 0.30 0.08 0.95 0.00 0.00 175.26 176.94 2eed s VAL 58 N -2.48 -0.44 -0.52 1.83 1.01 -1.26 -3.71 120.40 114.84 2eed s VAL 58 Ca 0.19 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 2eed s VAL 58 Cb -0.01 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.59 2eed s VAL 58 CO 0.02 -0.29 0.65 -0.55 0.00 0.00 0.00 175.10 174.94 2eed s SER 59 N 2.40 6.22 -0.20 3.32 0.15 0.40 -4.93 113.70 121.07 2eed s SER 59 Ca 0.09 -0.95 -0.05 0.00 0.70 0.00 0.00 55.95 55.75 2eed s SER 59 Cb -0.15 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.84 2eed s SER 59 CO -0.22 -0.94 0.00 -0.04 1.20 0.00 0.00 173.24 173.24 2eed s MET 60 N 2.71 3.64 0.04 5.44 -1.94 -1.26 -1.62 119.30 126.31 2eed s MET 60 Ca 0.15 -0.51 -0.04 0.00 -1.71 0.00 0.00 55.69 53.59 2eed s MET 60 Cb -0.19 -3.07 -0.02 0.00 2.01 0.00 0.00 34.83 33.55 2eed s MET 60 CO 0.12 0.04 0.05 0.15 -0.01 0.00 0.00 175.02 175.36 2eed s LYS 61 N 0.92 0.56 -1.00 2.03 1.02 0.67 -4.99 119.74 118.95 2eed s LYS 61 Ca 0.01 -0.87 -0.05 0.00 0.02 0.00 0.00 55.97 55.09 2eed s LYS 61 Cb -0.14 0.21 0.25 0.00 -0.52 0.00 0.00 37.83 37.63 2eed s LYS 61 CO 0.02 -0.13 0.98 1.58 -0.92 0.00 0.00 175.35 176.88 2eed n HIS 62 N 0.68 4.48 0.26 3.18 -0.00 -1.26 0.68 115.22 123.24 2eed n HIS 62 Ca -0.18 -3.92 0.11 0.00 -0.00 0.00 0.00 57.72 53.73 2eed n HIS 62 Cb 0.59 -1.36 0.48 0.00 -0.00 0.00 0.00 29.99 29.70 2eed n HIS 62 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.34 175.95 2eed h VAL 63 N 3.79 0.04 0.00 3.57 -1.51 -1.87 -3.47 116.25 116.80 2eed h VAL 63 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 2eed h VAL 63 Cb 0.81 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 2eed h VAL 63 CO 0.96 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.91 2eed n GLY 64 N -1.39 -1.12 3.10 5.19 0.00 -1.18 -4.98 105.19 104.81 2eed n GLY 64 Ca 0.02 -2.22 -0.22 0.00 0.00 0.00 0.00 46.02 43.61 2eed n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2eed n ASN 65 N 0.00 -4.71 -1.67 1.61 4.13 -1.26 0.02 115.26 113.39 2eed n ASN 65 Ca 0.00 -0.27 -0.17 0.00 1.68 0.00 0.00 54.58 55.81 2eed n ASN 65 Cb 0.00 -3.86 -0.04 0.00 -1.54 0.00 0.00 39.78 34.34 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2eed n GLN 66 N -3.72 -1.30 -4.62 3.52 1.13 -1.26 -4.80 117.38 106.34 2eed n GLN 66 Ca -0.07 0.98 -0.33 0.00 -1.94 0.00 0.00 57.00 55.63 2eed n GLN 66 Cb 0.58 -5.33 -0.13 0.00 0.11 0.00 0.00 30.24 25.47 2eed n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2eed s GLN 67 N -4.19 3.51 -0.25 -1.09 -0.21 0.10 -1.33 119.66 116.19 2eed s GLN 67 Ca 0.00 -0.61 -0.02 0.00 0.02 0.00 0.00 55.36 54.74 2eed s GLN 67 Cb 0.00 -2.75 0.02 0.00 1.00 0.00 0.00 33.01 31.28 2eed s GLN 67 CO 0.00 0.23 -0.04 0.71 -2.12 0.00 0.00 175.29 174.07 2eed s TYR 68 N 0.34 3.07 -0.15 0.91 2.02 -1.11 -2.61 117.35 119.82 2eed s TYR 68 Ca -0.08 -1.46 -0.22 0.00 -0.37 0.00 0.00 57.07 54.94 2eed s TYR 68 Cb -0.15 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 2eed s TYR 68 CO 0.05 -0.70 0.68 1.21 -1.57 0.00 0.00 175.55 175.22 2eed s ASN 69 N 1.35 6.83 -0.08 2.29 3.04 0.21 -2.89 114.94 125.69 2eed s ASN 69 Ca 0.01 1.00 -0.01 0.00 0.04 0.00 0.00 52.86 53.90 2eed s ASN 69 Cb -0.17 -2.38 0.03 0.00 -1.54 0.00 0.00 41.25 37.19 2eed s ASN 69 CO -0.03 -0.24 -0.01 -0.69 -3.04 0.00 0.00 177.10 173.08 2eed s VAL 70 N 1.56 0.51 0.05 -5.21 1.01 -1.11 -0.24 120.40 116.98 2eed s VAL 70 Ca 0.33 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.39 2eed s VAL 70 Cb -0.16 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2eed s VAL 70 CO 0.13 0.26 -0.19 -0.89 0.00 0.00 0.00 175.10 174.41 2eed s THR 71 N 1.91 1.53 0.28 3.92 2.01 -0.64 -1.75 115.64 122.89 2eed s THR 71 Ca 0.05 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 60.88 2eed s THR 71 Cb -0.12 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2eed s THR 71 CO -0.06 0.12 0.26 -0.72 -0.69 0.00 0.00 174.62 173.53 2eed s TYR 72 N -0.86 1.37 -0.02 4.92 -0.85 -0.96 -0.45 117.35 120.51 2eed s TYR 72 Ca 0.06 -1.46 -0.00 0.00 -0.52 0.00 0.00 57.07 55.14 2eed s TYR 72 Cb -0.09 -0.53 0.02 0.00 0.38 0.00 0.00 41.96 41.74 2eed s TYR 72 CO 0.02 -0.82 0.04 0.08 -1.52 0.00 0.00 175.55 173.34 2eed s VAL 73 N -3.70 -0.04 0.12 -3.49 1.01 -1.24 -3.18 120.40 109.86 2eed s VAL 73 Ca 0.38 0.16 0.10 0.00 0.00 0.00 0.00 61.98 62.62 2eed s VAL 73 Cb 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.29 2eed s VAL 73 CO 0.20 0.07 -0.23 0.68 0.00 0.00 0.00 175.10 175.82 2eed s VAL 74 N 0.84 2.52 -0.08 2.92 -7.23 -1.26 -0.44 120.40 117.67 2eed s VAL 74 Ca -0.07 -1.62 0.10 0.00 -1.81 0.00 0.00 61.98 58.58 2eed s VAL 74 Cb -0.10 -2.13 -0.14 0.00 0.56 0.00 0.00 36.38 34.57 2eed s VAL 74 CO -0.03 0.11 0.08 0.29 -0.31 0.00 0.00 175.10 175.25 2eed n LYS 75 N 0.91 1.88 -3.55 4.82 4.76 -1.26 -2.33 118.16 123.38 2eed n LYS 75 Ca -0.17 -0.03 -0.19 0.00 -2.87 0.00 0.00 58.31 55.05 2eed n LYS 75 Cb 0.53 -1.27 -0.01 0.00 -1.84 0.00 0.00 35.03 32.44 2eed n LYS 75 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2eed s GLU 76 N -2.37 3.18 0.31 1.97 2.56 -1.26 -4.78 118.70 118.31 2eed s GLU 76 Ca -0.05 -0.95 0.09 0.00 0.00 0.00 0.00 54.97 54.06 2eed s GLU 76 Cb 0.04 -2.83 -0.05 0.00 2.00 0.00 0.00 34.13 33.29 2eed s GLU 76 CO 0.44 0.13 -0.00 -0.98 -0.56 0.00 0.00 175.26 174.28 2eed s ARG 77 N -4.14 2.15 0.00 4.30 1.70 -1.26 -4.76 118.95 116.94 2eed s ARG 77 Ca 0.43 -1.60 0.00 0.00 -0.47 0.00 0.00 55.73 54.09 2eed s ARG 77 Cb -0.09 -2.03 0.00 0.00 -0.57 0.00 0.00 34.95 32.26 2eed s ARG 77 CO 0.31 0.24 0.00 0.41 -1.08 0.00 0.00 175.30 175.18 2eed n GLY 78 N -0.92 0.58 3.70 3.88 0.00 -1.11 -4.98 105.19 106.34 2eed n GLY 78 Ca -0.05 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.86 2eed n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2eed s ASP 79 N -4.00 6.42 -0.00 1.61 2.15 -1.26 -1.37 116.67 120.22 2eed s ASP 79 Ca 0.00 0.49 0.04 0.00 0.43 0.00 0.00 52.55 53.51 2eed s ASP 79 Cb 0.00 -2.20 -0.03 0.00 -0.30 0.00 0.00 42.92 40.39 2eed s ASP 79 CO 0.00 0.02 -0.11 -0.31 -0.17 0.00 0.00 175.17 174.60 2eed s TYR 80 N 0.87 2.78 -0.41 -5.34 1.51 0.65 -4.99 117.35 112.41 2eed s TYR 80 Ca 0.17 -0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.07 2eed s TYR 80 Cb -0.14 -1.58 0.10 0.00 -0.11 0.00 0.00 41.96 40.23 2eed s TYR 80 CO 0.06 0.30 0.21 0.08 -1.11 0.00 0.00 175.55 175.10 2eed s VAL 81 N -0.92 3.58 -0.44 0.71 1.01 -1.26 -2.29 120.40 120.79 2eed s VAL 81 Ca 0.15 -1.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.08 2eed s VAL 81 Cb -0.11 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2eed s VAL 81 CO 0.05 -0.60 0.85 -0.22 0.00 0.00 0.00 175.10 175.18 2eed s LEU 82 N 1.24 4.12 -0.44 3.92 2.96 -1.20 -3.81 118.68 125.47 2eed s LEU 82 Ca 0.05 0.08 -0.13 0.00 -0.22 0.00 0.00 54.13 53.90 2eed s LEU 82 Cb -0.23 -3.08 0.06 0.00 0.50 0.00 0.00 46.19 43.44 2eed s LEU 82 CO -0.02 -0.94 0.34 0.00 -1.32 0.00 0.00 176.35 174.40 2eed s ALA 83 N 3.46 3.46 -0.19 5.97 0.00 -1.26 -2.36 121.76 130.85 2eed s ALA 83 Ca 0.33 -2.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.23 2eed s ALA 83 Cb -0.11 -2.91 -0.00 0.00 0.00 0.00 0.00 23.12 20.10 2eed s ALA 83 CO 0.23 -1.65 -0.10 0.08 0.00 0.00 0.00 175.76 174.32 2eed s VAL 84 N 1.58 2.97 0.14 0.00 1.01 -1.26 0.07 120.40 124.91 2eed s VAL 84 Ca 0.04 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.44 2eed s VAL 84 Cb -0.23 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2eed s VAL 84 CO 0.06 0.48 -0.01 -0.54 0.00 0.00 0.00 175.10 175.09 2eed s LYS 85 N 1.15 2.43 -0.36 2.72 1.02 -1.13 -2.61 119.74 122.96 2eed s LYS 85 Ca 0.01 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 54.99 2eed s LYS 85 Cb -0.14 -2.42 0.12 0.00 -0.52 0.00 0.00 37.83 34.87 2eed s LYS 85 CO -0.03 0.49 0.18 -0.46 -0.92 0.00 0.00 175.35 174.61 2eed s TRP 86 N -1.55 1.35 -0.71 3.18 -0.11 -0.49 -2.86 118.94 117.75 2eed s TRP 86 Ca 0.26 -1.84 -0.02 0.00 1.22 0.00 0.00 56.10 55.72 2eed s TRP 86 Cb -0.10 -1.44 0.00 0.00 -1.50 0.00 0.00 33.47 30.43 2eed s TRP 86 CO 0.18 -0.83 0.68 0.41 -4.62 0.00 0.00 176.95 172.77 2eed n GLY 87 N 4.20 -1.23 3.68 5.86 0.00 -1.17 -3.40 105.19 113.13 2eed n GLY 87 Ca 0.05 0.59 -0.22 0.00 0.00 0.00 0.00 46.02 46.44 2eed n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2eed n GLU 88 N -1.70 -5.46 -3.83 1.61 1.02 -1.26 -4.97 120.64 106.05 2eed n GLU 88 Ca -0.03 0.67 -0.08 0.00 -0.02 0.00 0.00 57.16 57.69 2eed n GLU 88 Cb 0.53 -5.38 0.01 0.00 -0.02 0.00 0.00 31.44 26.58 2eed n GLU 88 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2eed s GLU 89 N -5.97 2.06 -0.21 3.49 2.02 -1.22 -5.12 118.70 113.75 2eed s GLU 89 Ca 0.12 -1.27 0.01 0.00 0.02 0.00 0.00 54.97 53.85 2eed s GLU 89 Cb -0.06 0.62 0.05 0.00 0.10 0.00 0.00 34.13 34.84 2eed s GLU 89 CO 0.80 -0.96 -0.07 -1.01 0.02 0.00 0.00 175.26 174.04 2eed s HIS 90 N -2.89 2.29 0.60 1.61 3.76 -1.26 -1.40 115.29 118.01 2eed s HIS 90 Ca 0.14 -1.59 -0.18 0.00 -0.15 0.00 0.00 55.06 53.28 2eed s HIS 90 Cb -0.05 -1.56 -0.10 0.00 1.11 0.00 0.00 32.58 31.98 2eed s HIS 90 CO 0.10 -0.74 0.27 0.44 -0.85 0.00 0.00 174.74 173.96 2eed n ILE 91 N 4.71 1.39 -2.07 0.60 -5.35 -1.07 -4.76 119.36 112.81 2eed n ILE 91 Ca -0.13 -0.48 -0.42 0.00 -0.27 0.00 0.00 62.75 61.46 2eed n ILE 91 Cb 0.45 -0.46 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2eed n ILE 91 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2eed s PRO 92 N -1.90 3.15 0.00 6.28 0.04 -1.26 -2.73 135.00 138.58 2eed s PRO 92 Ca 0.63 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2eed s PRO 92 Cb -0.43 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 29.88 2eed s PRO 92 CO 0.60 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.97 2eed n GLY 93 N 5.45 1.11 3.91 0.56 0.00 -1.26 -4.98 105.19 109.97 2eed n GLY 93 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2eed n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eed s SER 94 N -0.78 6.44 0.09 1.61 0.15 -1.11 -2.97 113.70 117.14 2eed s SER 94 Ca 0.00 0.49 -0.31 0.00 0.70 0.00 0.00 55.95 56.83 2eed s SER 94 Cb 0.00 -2.05 -0.07 0.00 -1.71 0.00 0.00 66.02 62.19 2eed s SER 94 CO 0.00 0.07 1.38 -2.16 1.20 0.00 0.00 173.24 173.73 2eed s PRO 95 N -2.72 4.32 0.66 5.44 0.04 -1.26 -4.95 135.00 136.53 2eed s PRO 95 Ca 0.39 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.32 2eed s PRO 95 Cb -0.12 -3.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.09 2eed s PRO 95 CO 0.26 -0.46 1.10 -0.06 0.04 0.00 0.00 177.00 177.88 2eed s PHE 96 N 1.39 2.70 -0.52 0.56 0.40 -1.00 -4.85 117.98 116.66 2eed s PHE 96 Ca 0.64 1.54 -0.09 0.00 -0.60 0.00 0.00 56.93 58.42 2eed s PHE 96 Cb -0.35 -3.13 0.13 0.00 0.51 0.00 0.00 43.02 40.19 2eed s PHE 96 CO 0.29 -1.58 0.40 -1.58 0.70 0.00 0.00 175.22 173.45 2eed s HIS 97 N -2.41 3.45 -0.32 0.36 5.65 -1.26 -3.23 115.29 117.52 2eed s HIS 97 Ca 0.66 -1.95 -0.11 0.00 0.25 0.00 0.00 55.06 53.90 2eed s HIS 97 Cb -0.19 -3.51 -0.01 0.00 -1.18 0.00 0.00 32.58 27.68 2eed s HIS 97 CO 0.42 -0.98 0.19 0.08 -0.65 0.00 0.00 174.74 173.80 2eed s VAL 98 N 1.11 4.89 -0.11 0.89 1.01 -0.97 -4.72 120.40 122.52 2eed s VAL 98 Ca 0.08 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2eed s VAL 98 Cb -0.24 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2eed s VAL 98 CO -0.02 0.04 0.14 -0.89 0.00 0.00 0.00 175.10 174.37 2eed s THR 99 N 1.66 5.44 -0.07 3.92 2.01 -1.25 -0.25 115.64 127.11 2eed s THR 99 Ca 0.05 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.23 2eed s THR 99 Cb -0.17 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 68.96 2eed s THR 99 CO 0.08 0.59 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.76 2eed s VAL 100 N -1.05 1.33 -2.00 3.82 1.01 -0.47 -2.09 120.40 120.95 2eed s VAL 100 Ca 0.16 -0.59 0.16 0.00 0.00 0.00 0.00 61.98 61.70 2eed s VAL 100 Cb -0.12 -1.19 0.45 0.00 0.00 0.00 0.00 36.38 35.51 2eed s VAL 100 CO 0.06 0.40 1.35 -0.81 0.00 0.00 0.00 175.10 176.09