#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eed n SER 2 N 0.00 -0.10 -4.45 1.61 3.41 -1.26 -4.10 113.62 108.73 2eed n SER 2 Ca 0.00 1.43 -0.33 0.00 -0.26 0.00 0.00 58.87 59.71 2eed n SER 2 Cb 0.00 -0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 63.30 2eed n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2eed s SER 3 N -5.01 4.16 0.05 4.04 0.15 -1.26 -5.13 113.70 110.71 2eed s SER 3 Ca -0.11 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2eed s SER 3 Cb 0.25 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 2eed s SER 3 CO 0.66 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.97 2eed n GLY 4 N 2.89 1.73 3.66 9.45 0.00 -1.26 -5.08 105.19 116.58 2eed n GLY 4 Ca -0.18 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.39 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 -1.00 6.36 -0.12 1.61 0.01 -1.26 -5.04 113.70 114.25 2eed s SER 5 Ca 0.00 0.42 -0.01 0.00 1.31 0.00 0.00 55.95 57.66 2eed s SER 5 Cb 0.00 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 2eed s SER 5 CO 0.00 -0.05 -0.07 -0.94 0.41 0.00 0.00 173.24 172.58 2eed s SER 6 N 1.08 4.52 0.00 2.44 1.04 -1.26 -5.01 113.70 116.51 2eed s SER 6 Ca 0.16 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2eed s SER 6 Cb -0.15 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.43 2eed s SER 6 CO 0.07 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.13 2eed n GLY 7 N 3.14 2.41 3.56 7.32 0.00 -1.26 -4.72 105.19 115.65 2eed n GLY 7 Ca -0.18 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 2eed n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eed s SER 8 N 0.00 4.72 -0.21 1.61 1.04 -1.26 -4.82 113.70 114.78 2eed s SER 8 Ca 0.00 1.30 -0.03 0.00 0.48 0.00 0.00 55.95 57.71 2eed s SER 8 Cb 0.00 -2.50 -0.00 0.00 0.10 0.00 0.00 66.02 63.61 2eed s SER 8 CO 0.00 -2.62 -0.07 -0.44 0.98 0.00 0.00 173.24 171.09 2eed s SER 9 N 11.08 4.09 0.10 7.02 0.01 -1.26 -4.51 113.70 130.22 2eed s SER 9 Ca 0.98 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 57.87 2eed s SER 9 Cb -0.21 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 2eed s SER 9 CO 0.29 -0.01 -0.05 -1.81 0.41 0.00 0.00 173.24 172.06 2eed s ASP 10 N 1.43 4.69 -0.11 2.44 1.01 -1.23 -4.97 116.67 119.93 2eed s ASP 10 Ca 0.05 -0.29 -0.11 0.00 0.71 0.00 0.00 52.55 52.91 2eed s ASP 10 Cb -0.14 -1.00 -0.27 0.00 1.01 0.00 0.00 42.92 42.52 2eed s ASP 10 CO -0.05 0.17 0.44 0.00 0.21 0.00 0.00 175.17 175.95 2eed h ALA 11 N 3.50 0.32 -0.20 5.23 0.00 -1.94 -3.34 119.26 122.83 2eed h ALA 11 Ca -0.48 -1.28 0.06 0.00 0.00 0.00 0.00 54.91 53.21 2eed h ALA 11 Cb 1.17 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2eed h ALA 11 CO 0.56 1.12 0.45 1.03 0.00 0.00 0.00 179.25 182.41 2eed h SER 12 N -0.09 0.00 0.69 0.00 0.87 -1.94 0.50 113.55 113.58 2eed h SER 12 Ca -0.38 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 59.91 2eed h SER 12 Cb 1.93 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.88 2eed h SER 12 CO 0.07 0.00 -1.30 0.11 -0.53 0.00 0.00 176.83 175.18 2eed h LYS 13 N 0.00 0.14 -6.56 2.24 1.79 -1.93 -3.44 116.57 108.81 2eed h LYS 13 Ca 0.09 -0.23 -0.59 0.00 -2.18 0.00 0.00 60.65 57.74 2eed h LYS 13 Cb 1.00 0.09 0.08 0.00 -1.58 0.00 0.00 32.23 31.82 2eed h LYS 13 CO -0.00 1.02 0.56 0.28 -1.08 0.00 0.00 179.45 180.23 2eed n VAL 14 N -3.39 1.00 -4.64 0.50 0.31 0.17 -4.56 118.33 107.74 2eed n VAL 14 Ca -0.09 -0.25 -0.25 0.00 -0.01 0.00 0.00 64.34 63.75 2eed n VAL 14 Cb 1.00 -1.40 -0.14 0.00 -0.91 0.00 0.00 33.84 32.40 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 -0.13 1.53 -0.01 2.52 -4.23 -0.80 -4.56 115.64 109.95 2eed s THR 15 Ca 0.68 -1.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 2eed s THR 15 Cb -0.67 -1.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 2eed s THR 15 CO 0.51 0.21 -0.13 -0.94 -0.54 0.00 0.00 174.62 173.73 2eed s SER 16 N -1.03 1.51 -0.00 3.99 1.04 -1.26 -0.50 113.70 117.45 2eed s SER 16 Ca 0.06 -0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.23 2eed s SER 16 Cb -0.08 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.82 2eed s SER 16 CO 0.01 0.14 0.06 -1.59 0.98 0.00 0.00 173.24 172.84 2eed s LYS 17 N -0.21 0.28 0.00 4.02 0.00 -0.73 -5.03 119.74 118.07 2eed s LYS 17 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 55.97 55.71 2eed s LYS 17 Cb -0.06 0.11 0.00 0.00 0.00 0.00 0.00 37.83 37.88 2eed s LYS 17 CO -0.00 -0.05 0.00 0.41 0.00 0.00 0.00 175.35 175.70 2eed n GLY 18 N 2.09 4.49 0.12 0.59 0.00 -1.26 -1.97 105.19 109.26 2eed n GLY 18 Ca -0.19 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 2eed n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eed h ALA 19 N 0.00 -0.04 -1.72 4.61 0.00 -1.87 -2.01 119.26 118.23 2eed h ALA 19 Ca 0.00 0.02 0.52 0.00 0.00 0.00 0.00 54.91 55.45 2eed h ALA 19 Cb 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 2eed h ALA 19 CO 0.00 -0.55 1.20 0.78 0.00 0.00 0.00 179.25 180.68 2eed h GLY 20 N -0.11 0.44 1.36 0.00 0.00 -1.58 1.56 103.07 104.74 2eed h GLY 20 Ca 0.05 -0.03 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 2eed h GLY 20 CO -0.12 -0.15 -0.86 1.41 0.00 0.00 0.00 176.54 176.83 2eed h LEU 21 N 0.01 0.74 0.00 3.11 3.38 -1.63 -3.36 115.31 117.56 2eed h LEU 21 Ca 0.89 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 2eed h LEU 21 Cb 3.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 43.85 2eed h LEU 21 CO -0.15 1.31 -0.20 -1.28 0.09 0.00 0.00 178.44 178.21 2eed h SER 22 N 0.38 0.00 -5.04 -0.43 0.87 0.20 -3.42 113.55 106.11 2eed h SER 22 Ca -0.07 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 2eed h SER 22 Cb 1.48 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.34 2eed h SER 22 CO 0.16 0.81 0.11 -1.59 -0.53 0.00 0.00 176.83 175.80 2eed s LYS 23 N -1.96 1.39 0.22 2.24 -2.85 0.15 -3.91 119.74 115.02 2eed s LYS 23 Ca -0.12 -0.74 0.02 0.00 -1.00 0.00 0.00 55.97 54.13 2eed s LYS 23 Cb -0.00 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.27 2eed s LYS 23 CO 0.33 -0.60 0.04 0.00 0.10 0.00 0.00 175.35 175.22 2eed s ALA 24 N -3.83 1.59 -0.04 0.59 0.00 -1.11 -3.29 121.76 115.65 2eed s ALA 24 Ca 0.06 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.30 2eed s ALA 24 Cb -0.02 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.87 2eed s ALA 24 CO -0.05 -0.37 -0.07 -0.06 0.00 0.00 0.00 175.76 175.21 2eed s PHE 25 N -3.66 0.94 -0.04 0.00 0.40 -1.26 -4.00 117.98 110.36 2eed s PHE 25 Ca 0.30 -0.29 -0.40 0.00 -0.60 0.00 0.00 56.93 55.95 2eed s PHE 25 Cb 0.07 -0.75 -0.19 0.00 0.51 0.00 0.00 43.02 42.65 2eed s PHE 25 CO 0.09 -0.19 1.17 0.28 0.70 0.00 0.00 175.22 177.27 2eed n VAL 26 N 3.84 0.01 0.00 -0.44 0.31 -1.26 -0.34 118.33 120.45 2eed n VAL 26 Ca -0.24 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2eed n VAL 26 Cb 0.52 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 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 1.93 1.39 3.53 2.92 0.00 -0.41 -4.93 105.19 109.62 2eed n GLY 27 Ca 0.21 -0.02 -0.48 0.00 0.00 0.00 0.00 46.02 45.73 2eed n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2eed n GLN 28 N 0.00 1.53 -1.59 1.61 6.02 0.54 -4.82 117.38 120.68 2eed n GLN 28 Ca 0.00 0.44 -0.35 0.00 -0.01 0.00 0.00 57.00 57.09 2eed n GLN 28 Cb 0.00 -2.75 -0.03 0.00 1.02 0.00 0.00 30.24 28.47 2eed n GLN 28 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2eed s LYS 29 N 5.97 2.09 -0.05 -1.09 2.20 -1.26 -4.44 119.74 123.15 2eed s LYS 29 Ca 1.04 1.30 -0.30 0.00 -0.36 0.00 0.00 55.97 57.66 2eed s LYS 29 Cb -0.66 -4.59 -0.02 0.00 -1.51 0.00 0.00 37.83 31.05 2eed s LYS 29 CO 0.45 -3.33 0.98 -1.12 -0.36 0.00 0.00 175.35 171.97 2eed s SER 30 N 11.91 7.30 0.19 1.43 0.01 -1.12 -4.93 113.70 128.49 2eed s SER 30 Ca 0.95 1.58 0.08 0.00 1.31 0.00 0.00 55.95 59.87 2eed s SER 30 Cb -0.16 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 2eed s SER 30 CO 0.24 -0.34 -0.15 -0.94 0.41 0.00 0.00 173.24 172.46 2eed s SER 31 N 1.05 2.56 -0.26 2.44 1.04 -1.26 -1.75 113.70 117.52 2eed s SER 31 Ca 0.50 -0.98 -0.20 0.00 0.48 0.00 0.00 55.95 55.75 2eed s SER 31 Cb -0.20 -0.14 0.07 0.00 0.10 0.00 0.00 66.02 65.86 2eed s SER 31 CO 0.23 -0.14 0.66 0.72 0.98 0.00 0.00 173.24 175.68 2eed s PHE 32 N -2.75 -0.85 -0.12 5.02 -0.12 -0.68 -3.48 117.98 115.00 2eed s PHE 32 Ca 0.20 1.88 -0.06 0.00 -0.05 0.00 0.00 56.93 58.91 2eed s PHE 32 Cb -0.02 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 2eed s PHE 32 CO 0.07 -0.42 0.10 -1.17 -0.05 0.00 0.00 175.22 173.75 2eed s LEU 33 N 0.90 4.14 -0.23 -1.99 1.98 -0.83 -2.69 118.68 119.97 2eed s LEU 33 Ca -0.04 0.35 0.02 0.00 -2.89 0.00 0.00 54.13 51.57 2eed s LEU 33 Cb -0.05 -2.00 0.04 0.00 0.66 0.00 0.00 46.19 44.84 2eed s LEU 33 CO -0.08 0.37 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.92 2eed s VAL 34 N -0.83 2.18 -0.26 1.68 1.01 -1.11 -1.77 120.40 121.30 2eed s VAL 34 Ca 0.13 -1.30 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 2eed s VAL 34 Cb -0.12 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2eed s VAL 34 CO 0.03 0.22 0.73 -1.81 0.00 0.00 0.00 175.10 174.28 2eed s ASP 35 N 1.20 6.69 -0.28 3.32 1.01 0.35 -2.51 116.67 126.45 2eed s ASP 35 Ca -0.02 0.83 0.09 0.00 0.71 0.00 0.00 52.55 54.16 2eed s ASP 35 Cb -0.17 -2.39 0.47 0.00 1.01 0.00 0.00 42.92 41.85 2eed s ASP 35 CO -0.08 -0.47 1.37 0.00 0.21 0.00 0.00 175.17 176.20 2eed h SER 37 N 1.18 -0.17 0.32 0.00 0.87 -1.81 -2.15 113.55 111.78 2eed h SER 37 Ca 0.18 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 2eed h SER 37 Cb 1.40 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.40 2eed h SER 37 CO 0.35 0.33 -0.27 0.11 -0.53 0.00 0.00 176.83 176.82 2eed h LYS 38 N -0.74 0.00 0.00 2.24 1.57 -1.86 -3.30 116.57 114.47 2eed h LYS 38 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2eed h LYS 38 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2eed h LYS 38 CO 0.03 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 2eed n ALA 39 N -2.45 -0.18 0.00 3.86 0.00 -1.21 -4.86 120.51 115.67 2eed n ALA 39 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2eed n ALA 39 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 0.57 -0.74 2.18 0.00 0.00 -0.81 -3.48 105.19 102.90 2eed n GLY 40 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.76 -4.21 1.61 7.64 -1.26 -4.59 113.62 117.57 2eed n SER 41 Ca 0.00 -3.69 -0.28 0.00 1.01 0.00 0.00 58.87 55.91 2eed n SER 41 Cb 0.00 -0.38 0.17 0.00 -1.01 0.00 0.00 64.21 62.99 2eed n SER 41 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2eed s ASN 42 N -3.58 3.33 -0.19 6.43 3.84 -1.26 -4.83 114.94 118.68 2eed s ASN 42 Ca 0.49 -0.11 -0.09 0.00 0.21 0.00 0.00 52.86 53.36 2eed s ASN 42 Cb 0.41 0.05 -0.05 0.00 -0.55 0.00 0.00 41.25 41.11 2eed s ASN 42 CO -0.03 -2.57 0.11 0.00 -2.79 0.00 0.00 177.10 171.82 2eed s MET 43 N -5.66 4.09 -0.45 0.43 0.23 -1.26 -5.02 119.30 111.65 2eed s MET 43 Ca 0.73 -0.25 -0.19 0.00 -1.03 0.00 0.00 55.69 54.96 2eed s MET 43 Cb -0.03 -3.35 0.03 0.00 -1.53 0.00 0.00 34.83 29.96 2eed s MET 43 CO 0.51 0.32 0.55 -1.17 -2.03 0.00 0.00 175.02 173.20 2eed s LEU 44 N 0.28 4.80 0.28 0.18 2.96 -1.26 -3.79 118.68 122.13 2eed s LEU 44 Ca 0.07 -0.65 0.08 0.00 -0.22 0.00 0.00 54.13 53.41 2eed s LEU 44 Cb -0.11 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 2eed s LEU 44 CO -0.01 -0.73 0.12 -1.48 -1.32 0.00 0.00 176.35 172.93 2eed s LEU 45 N 2.47 3.46 0.01 -0.68 0.05 -1.22 -5.05 118.68 117.71 2eed s LEU 45 Ca 0.16 -0.52 0.06 0.00 0.05 0.00 0.00 54.13 53.88 2eed s LEU 45 Cb -0.17 -1.98 -0.02 0.00 -2.05 0.00 0.00 46.19 41.97 2eed s LEU 45 CO 0.15 -0.10 -0.18 -0.63 -0.55 0.00 0.00 176.35 175.03 2eed s ILE 46 N -2.28 1.47 -0.44 1.48 -1.09 -1.26 -2.96 121.20 116.12 2eed s ILE 46 Ca 0.34 -0.91 0.08 0.00 -2.23 0.00 0.00 60.65 57.93 2eed s ILE 46 Cb -0.06 -1.24 0.41 0.00 -1.58 0.00 0.00 42.46 39.98 2eed s ILE 46 CO 0.23 0.31 1.02 0.61 -1.23 0.00 0.00 174.94 175.88 2eed n GLY 47 N 2.35 4.83 3.61 6.18 0.00 -0.81 -5.03 105.19 116.32 2eed n GLY 47 Ca -0.16 -2.39 -0.59 0.00 0.00 0.00 0.00 46.02 42.89 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 -0.29 0.05 -3.95 1.61 0.24 -1.26 -4.58 118.33 110.14 2eed n VAL 48 Ca 0.30 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.34 62.24 2eed n VAL 48 Cb 0.64 -0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 32.45 2eed n VAL 48 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2eed s HIS 49 N 1.30 3.51 -0.77 6.34 2.46 -1.26 -5.03 115.29 121.84 2eed s HIS 49 Ca 0.93 0.40 0.03 0.00 0.47 0.00 0.00 55.06 56.90 2eed s HIS 49 Cb -1.21 -1.87 0.30 0.00 -0.13 0.00 0.00 32.58 29.68 2eed s HIS 49 CO 0.61 0.66 1.12 0.41 -2.47 0.00 0.00 174.74 175.08 2eed n GLY 50 N 1.53 5.35 0.25 1.59 0.00 -1.26 -4.76 105.19 107.89 2eed n GLY 50 Ca -0.16 -2.73 -0.13 0.00 0.00 0.00 0.00 46.02 43.00 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 4.05 0.85 0.00 1.61 0.13 -1.96 -3.38 132.00 133.30 2eed h PRO 51 Ca 0.23 -0.45 -0.25 0.00 -0.87 0.00 0.00 66.00 64.66 2eed h PRO 51 Cb 0.55 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.65 2eed h PRO 51 CO 0.98 1.09 -1.96 0.25 -0.23 0.00 0.00 178.00 178.14 2eed n THR 52 N -4.14 0.96 -3.64 1.56 -2.24 -1.26 -5.05 114.28 100.47 2eed n THR 52 Ca -0.03 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 2eed n THR 52 Cb 0.52 -1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 67.62 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 -2.34 0.00 0.76 4.28 2.01 -1.26 -5.15 115.64 113.95 2eed s THR 53 Ca -0.21 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 2eed s THR 53 Cb 0.06 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.62 2eed s THR 53 CO 0.40 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 173.27 2eed s PRO 54 N 0.63 2.31 0.26 4.92 0.04 -1.26 -4.67 135.00 137.22 2eed s PRO 54 Ca -0.01 1.20 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 2eed s PRO 54 Cb -0.05 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2eed s PRO 54 CO -0.08 -1.61 0.50 0.00 0.04 0.00 0.00 177.00 175.85 2eed h GLU 56 N 1.82 0.70 -1.83 0.00 4.39 -1.78 -3.48 114.58 114.40 2eed h GLU 56 Ca -0.48 -0.10 0.27 0.00 0.34 0.00 0.00 59.36 59.39 2eed h GLU 56 Cb 1.19 -0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.62 2eed h GLU 56 CO 0.67 0.59 0.72 -1.83 -1.16 0.00 0.00 179.01 178.00 2eed s GLU 57 N -5.69 0.69 -0.29 2.33 -1.05 -1.26 -5.03 118.70 108.39 2eed s GLU 57 Ca -0.13 -0.39 -0.02 0.00 -0.15 0.00 0.00 54.97 54.28 2eed s GLU 57 Cb 0.11 0.23 0.10 0.00 -0.44 0.00 0.00 34.13 34.13 2eed s GLU 57 CO 0.76 -0.32 0.10 0.08 0.95 0.00 0.00 175.26 176.84 2eed s VAL 58 N -2.61 0.51 -0.37 1.83 1.01 -1.26 -3.74 120.40 115.77 2eed s VAL 58 Ca 0.15 -1.09 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 2eed s VAL 58 Cb 0.02 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2eed s VAL 58 CO -0.01 -0.65 0.78 -0.55 0.00 0.00 0.00 175.10 174.67 2eed s SER 59 N 1.81 6.53 -0.07 3.32 0.15 0.61 -4.93 113.70 121.11 2eed s SER 59 Ca 0.08 0.29 0.04 0.00 0.70 0.00 0.00 55.95 57.06 2eed s SER 59 Cb -0.17 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2eed s SER 59 CO -0.27 -0.75 -0.18 -0.04 1.20 0.00 0.00 173.24 173.19 2eed s MET 60 N 3.12 2.19 0.01 5.44 -1.94 -1.26 -0.14 119.30 126.72 2eed s MET 60 Ca 0.31 -0.65 -0.09 0.00 -1.71 0.00 0.00 55.69 53.55 2eed s MET 60 Cb -0.13 -1.77 0.00 0.00 2.01 0.00 0.00 34.83 34.94 2eed s MET 60 CO 0.18 0.16 0.17 0.15 -0.01 0.00 0.00 175.02 175.67 2eed s LYS 61 N 0.32 0.57 -1.08 2.03 -0.14 0.56 -4.99 119.74 117.00 2eed s LYS 61 Ca -0.12 -0.46 -0.07 0.00 -1.36 0.00 0.00 55.97 53.96 2eed s LYS 61 Cb -0.15 0.24 0.27 0.00 -1.68 0.00 0.00 37.83 36.51 2eed s LYS 61 CO 0.05 -0.15 1.09 1.58 -0.76 0.00 0.00 175.35 177.17 2eed n HIS 62 N 1.18 4.90 -0.08 3.18 -0.00 -1.26 0.58 115.22 123.72 2eed n HIS 62 Ca -0.21 -3.85 0.26 0.00 -0.00 0.00 0.00 57.72 53.91 2eed n HIS 62 Cb 0.57 -1.58 0.67 0.00 -0.00 0.00 0.00 29.99 29.64 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 3.68 0.27 0.00 3.57 -1.51 -1.93 -3.47 116.25 116.87 2eed h VAL 63 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 2eed h VAL 63 Cb 0.84 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2eed h VAL 63 CO 1.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.97 2eed n GLY 64 N -1.61 0.08 4.05 5.19 0.00 -1.22 -4.99 105.19 106.70 2eed n GLY 64 Ca 0.16 -2.29 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 2eed n GLY 64 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2eed n ASN 65 N 0.00 -3.89 -1.98 1.61 4.05 -1.26 0.59 115.26 114.38 2eed n ASN 65 Ca 0.00 -0.89 -0.19 0.00 0.45 0.00 0.00 54.58 53.94 2eed n ASN 65 Cb 0.00 -3.35 -0.05 0.00 1.23 0.00 0.00 39.78 37.62 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2eed n GLN 66 N -4.53 -1.60 -4.39 1.20 3.00 -1.26 -4.79 117.38 105.00 2eed n GLN 66 Ca 0.04 1.04 -0.33 0.00 -0.01 0.00 0.00 57.00 57.73 2eed n GLN 66 Cb 0.52 -5.54 -0.10 0.00 0.00 0.00 0.00 30.24 25.12 2eed n GLN 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2eed s GLN 67 N -4.33 2.73 -0.19 -1.09 -0.21 0.20 -0.59 119.66 116.18 2eed s GLN 67 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.77 2eed s GLN 67 Cb 0.00 -2.62 0.04 0.00 1.00 0.00 0.00 33.01 31.43 2eed s GLN 67 CO 0.00 0.63 -0.07 0.71 -2.12 0.00 0.00 175.29 174.44 2eed s TYR 68 N -1.00 2.05 -0.40 0.91 2.02 -1.04 -3.30 117.35 116.58 2eed s TYR 68 Ca 0.17 -1.35 -0.23 0.00 -0.37 0.00 0.00 57.07 55.28 2eed s TYR 68 Cb -0.11 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 39.99 2eed s TYR 68 CO 0.07 -0.68 0.80 1.21 -1.57 0.00 0.00 175.55 175.38 2eed s ASN 69 N 1.52 6.50 -0.12 2.29 3.04 0.20 -2.75 114.94 125.62 2eed s ASN 69 Ca -0.01 0.19 0.02 0.00 0.04 0.00 0.00 52.86 53.10 2eed s ASN 69 Cb -0.16 -2.40 0.01 0.00 -1.54 0.00 0.00 41.25 37.16 2eed s ASN 69 CO -0.08 -0.82 -0.17 -0.69 -3.04 0.00 0.00 177.10 172.30 2eed s VAL 70 N 3.22 1.68 0.02 -5.21 1.01 -1.10 -0.33 120.40 119.70 2eed s VAL 70 Ca 0.31 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2eed s VAL 70 Cb -0.13 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2eed s VAL 70 CO 0.20 0.48 -0.08 -0.89 0.00 0.00 0.00 175.10 174.80 2eed s THR 71 N 0.93 0.63 0.31 3.92 2.01 0.80 -1.68 115.64 122.56 2eed s THR 71 Ca -0.07 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.26 2eed s THR 71 Cb -0.15 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2eed s THR 71 CO -0.02 -0.08 0.17 -0.72 -0.69 0.00 0.00 174.62 173.29 2eed s TYR 72 N -0.73 1.60 -0.04 4.92 -0.85 -0.72 -0.29 117.35 121.25 2eed s TYR 72 Ca -0.02 -1.40 -0.01 0.00 -0.52 0.00 0.00 57.07 55.11 2eed s TYR 72 Cb -0.06 -0.84 0.03 0.00 0.38 0.00 0.00 41.96 41.47 2eed s TYR 72 CO 0.00 -0.56 0.08 0.08 -1.52 0.00 0.00 175.55 173.63 2eed s VAL 73 N -3.60 -0.08 -0.07 -3.49 1.01 -1.25 -2.81 120.40 110.12 2eed s VAL 73 Ca 0.36 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.64 2eed s VAL 73 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.26 2eed s VAL 73 CO 0.18 0.10 -0.25 0.68 0.00 0.00 0.00 175.10 175.82 2eed s VAL 74 N 1.35 2.07 -0.35 2.92 -7.23 -1.26 -1.86 120.40 116.03 2eed s VAL 74 Ca -0.06 -1.05 0.22 0.00 -1.81 0.00 0.00 61.98 59.28 2eed s VAL 74 Cb -0.12 -1.76 -0.26 0.00 0.56 0.00 0.00 36.38 34.79 2eed s VAL 74 CO -0.04 0.57 0.69 0.29 -0.31 0.00 0.00 175.10 176.29 2eed n LYS 75 N 3.13 0.45 -4.18 4.82 4.01 -1.26 -1.29 118.16 123.84 2eed n LYS 75 Ca -0.18 -0.11 -0.30 0.00 -0.51 0.00 0.00 58.31 57.21 2eed n LYS 75 Cb 0.52 -1.54 -0.09 0.00 -0.51 0.00 0.00 35.03 33.41 2eed n LYS 75 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2eed s GLU 76 N -3.34 2.48 0.17 1.97 2.56 -1.26 -4.87 118.70 116.41 2eed s GLU 76 Ca -0.02 -0.85 0.07 0.00 0.00 0.00 0.00 54.97 54.16 2eed s GLU 76 Cb 0.14 -2.50 -0.04 0.00 2.00 0.00 0.00 34.13 33.73 2eed s GLU 76 CO 0.88 0.54 0.03 -0.98 -0.56 0.00 0.00 175.26 175.17 2eed s ARG 77 N -2.17 2.52 0.00 4.30 1.70 -1.26 -4.84 118.95 119.19 2eed s ARG 77 Ca 0.24 -1.04 0.00 0.00 -0.47 0.00 0.00 55.73 54.46 2eed s ARG 77 Cb -0.12 -2.43 0.00 0.00 -0.57 0.00 0.00 34.95 31.83 2eed s ARG 77 CO 0.16 0.47 0.00 0.41 -1.08 0.00 0.00 175.30 175.26 2eed n GLY 78 N -0.12 -0.11 3.28 3.88 0.00 -1.16 -5.01 105.19 105.94 2eed n GLY 78 Ca -0.09 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 2eed n GLY 78 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2eed s ASP 79 N -4.00 5.37 0.12 1.61 -4.77 -1.26 -2.85 116.67 110.89 2eed s ASP 79 Ca 0.00 -1.16 0.06 0.00 -3.30 0.00 0.00 52.55 48.15 2eed s ASP 79 Cb 0.00 -1.89 -0.04 0.00 -1.09 0.00 0.00 42.92 39.90 2eed s ASP 79 CO 0.00 -0.35 0.01 -0.31 0.70 0.00 0.00 175.17 175.22 2eed s TYR 80 N 1.41 2.95 -0.06 2.11 2.02 -0.36 -4.70 117.35 120.72 2eed s TYR 80 Ca -0.01 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 2eed s TYR 80 Cb -0.20 -1.48 0.02 0.00 -0.40 0.00 0.00 41.96 39.90 2eed s TYR 80 CO 0.03 0.49 -0.04 0.08 -1.57 0.00 0.00 175.55 174.54 2eed s VAL 81 N -1.48 0.60 -0.02 0.71 1.01 -1.26 -1.29 120.40 118.67 2eed s VAL 81 Ca 0.27 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 2eed s VAL 81 Cb -0.11 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2eed s VAL 81 CO 0.19 0.26 0.37 -0.22 0.00 0.00 0.00 175.10 175.71 2eed s LEU 82 N 1.30 4.46 -0.17 3.92 2.96 -0.82 -4.17 118.68 126.16 2eed s LEU 82 Ca -0.05 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 54.76 2eed s LEU 82 Cb -0.14 -2.52 0.04 0.00 0.50 0.00 0.00 46.19 44.07 2eed s LEU 82 CO -0.02 0.33 -0.10 0.00 -1.32 0.00 0.00 176.35 175.23 2eed s ALA 83 N -1.01 1.80 -0.12 5.97 0.00 -1.26 -1.61 121.76 125.53 2eed s ALA 83 Ca 0.23 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2eed s ALA 83 Cb -0.16 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.81 2eed s ALA 83 CO 0.12 -0.68 -0.14 0.08 0.00 0.00 0.00 175.76 175.14 2eed s VAL 84 N 1.49 1.45 0.14 0.00 1.01 -1.26 -1.92 120.40 121.31 2eed s VAL 84 Ca 0.01 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.48 2eed s VAL 84 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2eed s VAL 84 CO -0.09 0.43 -0.08 -0.54 0.00 0.00 0.00 175.10 174.83 2eed s LYS 85 N 1.23 2.15 -0.34 2.72 1.02 -1.16 -2.47 119.74 122.89 2eed s LYS 85 Ca -0.02 -1.11 -0.00 0.00 0.02 0.00 0.00 55.97 54.86 2eed s LYS 85 Cb -0.14 -2.27 0.11 0.00 -0.52 0.00 0.00 37.83 35.01 2eed s LYS 85 CO -0.05 0.48 0.14 -0.46 -0.92 0.00 0.00 175.35 174.53 2eed s TRP 86 N -1.45 1.60 -0.67 3.18 -0.11 -0.73 -3.44 118.94 117.32 2eed s TRP 86 Ca 0.23 -1.82 -0.07 0.00 1.22 0.00 0.00 56.10 55.66 2eed s TRP 86 Cb -0.10 -1.63 0.01 0.00 -1.50 0.00 0.00 33.47 30.24 2eed s TRP 86 CO 0.15 -0.85 0.65 0.41 -4.62 0.00 0.00 176.95 172.69 2eed n GLY 87 N 4.53 -1.13 3.69 5.86 0.00 -1.25 -3.23 105.19 113.66 2eed n GLY 87 Ca 0.01 0.74 -0.22 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.50 -5.28 -3.76 1.61 1.02 -1.26 -4.96 120.64 106.51 2eed n GLU 88 Ca -0.06 0.65 -0.09 0.00 -0.02 0.00 0.00 57.16 57.64 2eed n GLU 88 Cb 0.55 -5.31 0.03 0.00 -0.02 0.00 0.00 31.44 26.69 2eed n GLU 88 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2eed n GLU 89 N -4.32 1.12 -3.82 3.49 1.02 -1.20 -5.13 120.64 111.80 2eed n GLU 89 Ca -0.25 -2.23 -0.29 0.00 -0.02 0.00 0.00 57.16 54.36 2eed n GLU 89 Cb 0.66 2.76 -0.16 0.00 -0.02 0.00 0.00 31.44 34.68 2eed n GLU 89 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2eed s HIS 90 N -2.23 1.86 0.49 -0.32 3.76 -1.26 -1.78 115.29 115.80 2eed s HIS 90 Ca 0.16 -1.56 -0.15 0.00 -0.15 0.00 0.00 55.06 53.36 2eed s HIS 90 Cb -0.05 -1.54 -0.13 0.00 1.11 0.00 0.00 32.58 31.98 2eed s HIS 90 CO 0.12 -0.77 -0.19 0.44 -0.85 0.00 0.00 174.74 173.50 2eed n ILE 91 N 4.81 0.00 -2.04 0.60 -5.35 -1.03 -4.70 119.36 111.65 2eed n ILE 91 Ca -0.07 -0.43 -0.36 0.00 -0.27 0.00 0.00 62.75 61.63 2eed n ILE 91 Cb 0.44 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.31 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 -0.97 2.60 0.00 6.28 0.04 -1.26 -2.61 135.00 139.08 2eed s PRO 92 Ca 0.47 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2eed s PRO 92 Cb -0.39 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.61 2eed s PRO 92 CO 0.58 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 175.14 2eed n GLY 93 N 5.97 0.94 3.89 0.56 0.00 -1.26 -5.00 105.19 110.29 2eed n GLY 93 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 6.54 0.40 1.61 0.15 -1.07 -3.65 113.70 117.67 2eed s SER 94 Ca 0.00 0.77 -0.25 0.00 0.70 0.00 0.00 55.95 57.17 2eed s SER 94 Cb 0.00 -2.17 -0.09 0.00 -1.71 0.00 0.00 66.02 62.06 2eed s SER 94 CO 0.00 -0.07 1.19 -2.16 1.20 0.00 0.00 173.24 173.40 2eed s PRO 95 N -2.98 4.06 0.18 5.44 0.04 -1.26 -4.91 135.00 135.58 2eed s PRO 95 Ca 0.45 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 63.30 2eed s PRO 95 Cb -0.11 -2.71 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 2eed s PRO 95 CO 0.24 -0.33 0.48 -0.06 0.04 0.00 0.00 177.00 177.37 2eed s PHE 96 N -1.38 3.46 -0.28 0.56 0.40 -0.64 -4.91 117.98 115.20 2eed s PHE 96 Ca 0.57 0.77 -0.13 0.00 -0.60 0.00 0.00 56.93 57.54 2eed s PHE 96 Cb -0.32 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 2eed s PHE 96 CO 0.40 0.35 0.28 -1.58 0.70 0.00 0.00 175.22 175.38 2eed s HIS 97 N -1.71 3.23 -0.13 0.36 5.65 -1.26 -1.94 115.29 119.50 2eed s HIS 97 Ca 0.43 0.23 0.03 0.00 0.25 0.00 0.00 55.06 56.01 2eed s HIS 97 Cb -0.12 -2.48 0.01 0.00 -1.18 0.00 0.00 32.58 28.80 2eed s HIS 97 CO 0.22 -0.21 -0.22 0.08 -0.65 0.00 0.00 174.74 173.96 2eed s VAL 98 N 1.91 1.98 -0.14 0.89 1.01 -0.41 -4.69 120.40 120.95 2eed s VAL 98 Ca 0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 2eed s VAL 98 Cb -0.16 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2eed s VAL 98 CO 0.11 0.54 -0.04 -0.89 0.00 0.00 0.00 175.10 174.81 2eed s THR 99 N 0.72 3.89 -0.14 3.92 2.01 -1.25 -1.23 115.64 123.56 2eed s THR 99 Ca -0.10 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.55 2eed s THR 99 Cb -0.16 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.66 2eed s THR 99 CO 0.01 0.51 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 2eed s VAL 100 N 0.16 2.45 -2.00 3.82 1.01 -1.13 -2.77 120.40 121.94 2eed s VAL 100 Ca -0.02 -0.85 0.16 0.00 0.00 0.00 0.00 61.98 61.27 2eed s VAL 100 Cb -0.14 -2.01 0.44 0.00 0.00 0.00 0.00 36.38 34.68 2eed s VAL 100 CO 0.03 0.53 1.34 -0.81 0.00 0.00 0.00 175.10 176.19