#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eed s SER 2 N 0.00 1.91 0.24 1.61 0.15 -1.26 -5.11 113.70 111.23 2eed s SER 2 Ca 0.00 -0.80 -0.29 0.00 0.70 0.00 0.00 55.95 55.56 2eed s SER 2 Cb 0.00 -0.06 -0.15 0.00 -1.71 0.00 0.00 66.02 64.10 2eed s SER 2 CO 0.00 -0.16 0.86 -1.20 1.20 0.00 0.00 173.24 173.94 2eed n SER 3 N 0.58 0.38 0.00 5.45 7.64 -1.26 -4.91 113.62 121.50 2eed n SER 3 Ca -0.16 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2eed n SER 3 Cb 0.57 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2eed n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eed n GLY 4 N 1.60 1.27 3.94 0.23 0.00 -1.26 -5.17 105.19 105.79 2eed n GLY 4 Ca 0.13 0.31 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 5.28 -0.09 1.61 0.01 -1.26 -5.10 113.70 114.15 2eed s SER 5 Ca 0.00 0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.70 2eed s SER 5 Cb 0.00 -1.30 0.01 0.00 0.21 0.00 0.00 66.02 64.94 2eed s SER 5 CO 0.00 -1.22 -0.19 -0.94 0.41 0.00 0.00 173.24 171.30 2eed s SER 6 N -4.39 2.55 0.00 2.44 1.04 -1.26 -4.98 113.70 109.10 2eed s SER 6 Ca 0.56 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2eed s SER 6 Cb -0.10 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.85 2eed s SER 6 CO 0.43 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.35 2eed n GLY 7 N 3.76 3.59 3.61 7.32 0.00 -1.26 -5.08 105.19 117.13 2eed n GLY 7 Ca -0.20 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 2eed n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eed s SER 8 N 0.00 6.35 0.13 1.61 0.15 -1.26 -4.79 113.70 115.89 2eed s SER 8 Ca 0.00 1.00 -0.31 0.00 0.70 0.00 0.00 55.95 57.34 2eed s SER 8 Cb 0.00 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.68 2eed s SER 8 CO 0.00 -1.39 1.59 -0.44 1.20 0.00 0.00 173.24 174.20 2eed s SER 9 N 3.98 6.61 -0.19 5.45 0.01 -1.26 -4.87 113.70 123.42 2eed s SER 9 Ca 0.63 2.56 -0.03 0.00 1.31 0.00 0.00 55.95 60.41 2eed s SER 9 Cb -0.16 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 2eed s SER 9 CO 0.31 -0.84 -0.05 -0.62 0.41 0.00 0.00 173.24 172.46 2eed s ASP 10 N 1.57 4.45 0.09 2.44 -1.08 -1.24 -5.00 116.67 117.90 2eed s ASP 10 Ca 0.71 -0.29 -0.13 0.00 -0.52 0.00 0.00 52.55 52.31 2eed s ASP 10 Cb -0.42 -1.74 -0.19 0.00 -1.46 0.00 0.00 42.92 39.10 2eed s ASP 10 CO 0.31 0.06 1.25 0.00 0.52 0.00 0.00 175.17 177.32 2eed h ALA 11 N 7.49 0.22 -0.29 3.66 0.00 -1.93 -3.13 119.26 125.28 2eed h ALA 11 Ca -0.36 -0.65 0.08 0.00 0.00 0.00 0.00 54.91 53.99 2eed h ALA 11 Cb 1.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2eed h ALA 11 CO 0.60 0.69 0.37 1.03 0.00 0.00 0.00 179.25 181.94 2eed h SER 12 N 0.47 0.00 0.79 0.00 0.87 -1.94 0.28 113.55 114.01 2eed h SER 12 Ca -0.09 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.22 2eed h SER 12 Cb 1.56 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 2eed h SER 12 CO 0.18 0.00 -1.21 0.11 -0.53 0.00 0.00 176.83 175.39 2eed h LYS 13 N 0.00 0.09 -6.60 2.24 1.79 -1.91 -3.44 116.57 108.75 2eed h LYS 13 Ca 0.14 -0.16 -0.52 0.00 -2.18 0.00 0.00 60.65 57.93 2eed h LYS 13 Cb 0.88 0.06 0.05 0.00 -1.58 0.00 0.00 32.23 31.64 2eed h LYS 13 CO -0.00 1.01 1.00 0.08 -1.08 0.00 0.00 179.45 180.46 2eed s VAL 14 N -2.67 2.36 0.41 0.50 1.01 0.97 -4.57 120.40 118.41 2eed s VAL 14 Ca -0.02 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2eed s VAL 14 Cb 0.09 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 2eed s VAL 14 CO 0.84 0.01 0.17 0.42 0.00 0.00 0.00 175.10 176.54 2eed s THR 15 N 1.64 2.32 -0.20 3.92 -4.23 -1.16 -4.51 115.64 113.42 2eed s THR 15 Ca 0.75 -1.71 -0.11 0.00 -1.18 0.00 0.00 61.69 59.44 2eed s THR 15 Cb -0.47 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.44 2eed s THR 15 CO 0.33 -0.01 0.48 -0.94 -0.54 0.00 0.00 174.62 173.94 2eed s SER 16 N -3.89 -0.62 0.15 3.99 1.04 -1.26 -2.61 113.70 110.49 2eed s SER 16 Ca 0.41 1.05 0.07 0.00 0.48 0.00 0.00 55.95 57.96 2eed s SER 16 Cb 0.04 0.94 -0.04 0.00 0.10 0.00 0.00 66.02 67.06 2eed s SER 16 CO 0.22 -0.20 -0.14 -1.59 0.98 0.00 0.00 173.24 172.51 2eed s LYS 17 N 1.39 1.13 0.00 4.02 0.00 -0.88 -5.02 119.74 120.38 2eed s LYS 17 Ca -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 55.97 54.51 2eed s LYS 17 Cb -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 37.83 36.77 2eed s LYS 17 CO -0.14 0.18 0.00 0.41 0.00 0.00 0.00 175.35 175.80 2eed n GLY 18 N 0.21 3.75 0.10 0.59 0.00 -1.26 -2.05 105.19 106.54 2eed n GLY 18 Ca -0.13 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 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 0.09 -1.48 4.61 0.00 -1.89 -3.20 119.26 117.40 2eed h ALA 19 Ca 0.00 -0.38 0.45 0.00 0.00 0.00 0.00 54.91 54.98 2eed h ALA 19 Cb 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 2eed h ALA 19 CO 0.00 0.03 1.02 0.78 0.00 0.00 0.00 179.25 181.07 2eed h GLY 20 N -0.32 0.62 1.25 0.00 0.00 -1.62 1.01 103.07 104.00 2eed h GLY 20 Ca -0.01 -0.06 -0.21 0.00 0.00 0.00 0.00 47.33 47.05 2eed h GLY 20 CO 0.04 -0.17 -0.74 1.41 0.00 0.00 0.00 176.54 177.08 2eed h LEU 21 N 0.07 0.88 0.07 3.11 3.38 -1.84 -3.35 115.31 117.63 2eed h LEU 21 Ca 0.79 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2eed h LEU 21 Cb 2.81 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 43.30 2eed h LEU 21 CO -0.20 1.35 -0.03 -1.28 0.09 0.00 0.00 178.44 178.37 2eed h SER 22 N 0.52 -0.08 -5.04 -0.43 0.87 0.78 -3.41 113.55 106.77 2eed h SER 22 Ca -0.04 -0.43 -0.05 0.00 -1.23 0.00 0.00 61.79 60.04 2eed h SER 22 Cb 1.35 0.02 -0.14 0.00 -0.44 0.00 0.00 62.40 63.19 2eed h SER 22 CO 0.15 0.59 0.02 -1.59 -0.53 0.00 0.00 176.83 175.46 2eed s LYS 23 N -2.47 1.07 0.25 2.24 -2.85 0.99 -3.93 119.74 115.06 2eed s LYS 23 Ca -0.10 -0.44 0.10 0.00 -1.00 0.00 0.00 55.97 54.53 2eed s LYS 23 Cb -0.01 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.20 2eed s LYS 23 CO 0.38 -0.41 -0.18 0.00 0.10 0.00 0.00 175.35 175.25 2eed s ALA 24 N -3.09 2.49 -0.06 0.59 0.00 -0.33 -3.54 121.76 117.81 2eed s ALA 24 Ca -0.02 -1.81 0.04 0.00 0.00 0.00 0.00 51.96 50.18 2eed s ALA 24 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 2eed s ALA 24 CO -0.07 0.20 -0.19 -0.06 0.00 0.00 0.00 175.76 175.64 2eed s PHE 25 N -2.68 1.91 0.21 0.00 0.40 -1.26 -3.94 117.98 112.62 2eed s PHE 25 Ca 0.27 -0.62 -0.32 0.00 -0.60 0.00 0.00 56.93 55.67 2eed s PHE 25 Cb -0.03 -1.29 -0.14 0.00 0.51 0.00 0.00 43.02 42.06 2eed s PHE 25 CO 0.12 -0.23 1.30 0.28 0.70 0.00 0.00 175.22 177.39 2eed n VAL 26 N 3.28 0.94 0.00 -0.44 0.31 -1.26 -2.01 118.33 119.15 2eed n VAL 26 Ca -0.19 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2eed n VAL 26 Cb 0.53 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 2.09 1.14 3.28 2.92 0.00 0.01 -4.94 105.19 109.70 2eed n GLY 27 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.14 -3.75 1.61 1.13 -0.85 -4.78 117.38 109.59 2eed n GLN 28 Ca 0.00 -0.31 -0.37 0.00 -1.94 0.00 0.00 57.00 54.38 2eed n GLN 28 Cb 0.00 -1.67 -0.11 0.00 0.11 0.00 0.00 30.24 28.56 2eed n GLN 28 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2eed s LYS 29 N -3.36 2.24 -0.12 -1.09 2.20 -1.26 -4.39 119.74 113.96 2eed s LYS 29 Ca 0.54 -1.63 -0.25 0.00 -0.36 0.00 0.00 55.97 54.27 2eed s LYS 29 Cb -0.13 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 2eed s LYS 29 CO 0.67 -0.96 0.82 -1.12 -0.36 0.00 0.00 175.35 174.39 2eed s SER 30 N 1.81 7.01 0.16 1.43 0.01 -1.15 -4.95 113.70 118.03 2eed s SER 30 Ca 0.04 1.24 0.08 0.00 1.31 0.00 0.00 55.95 58.62 2eed s SER 30 Cb -0.22 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 2eed s SER 30 CO -0.02 -0.31 -0.16 -0.94 0.41 0.00 0.00 173.24 172.21 2eed s SER 31 N 1.05 2.48 -0.10 2.44 1.04 -1.26 -2.13 113.70 117.22 2eed s SER 31 Ca 0.40 -0.88 -0.24 0.00 0.48 0.00 0.00 55.95 55.70 2eed s SER 31 Cb -0.17 -0.13 0.06 0.00 0.10 0.00 0.00 66.02 65.87 2eed s SER 31 CO 0.16 -0.09 0.57 0.72 0.98 0.00 0.00 173.24 175.57 2eed s PHE 32 N -2.27 -0.55 -0.07 5.02 -0.71 -0.80 -3.61 117.98 114.98 2eed s PHE 32 Ca 0.15 1.09 0.01 0.00 -1.04 0.00 0.00 56.93 57.14 2eed s PHE 32 Cb -0.04 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.02 2eed s PHE 32 CO 0.06 -0.47 -0.09 -1.17 -1.34 0.00 0.00 175.22 172.21 2eed s LEU 33 N -0.74 3.06 -0.20 -1.99 1.98 -0.87 -2.48 118.68 117.44 2eed s LEU 33 Ca -0.08 -0.08 -0.00 0.00 -2.89 0.00 0.00 54.13 51.07 2eed s LEU 33 Cb -0.02 -1.66 0.02 0.00 0.66 0.00 0.00 46.19 45.18 2eed s LEU 33 CO 0.06 0.33 -0.15 -0.69 -1.89 0.00 0.00 176.35 174.01 2eed s VAL 34 N -0.63 2.42 -0.32 1.68 1.01 -1.15 -2.07 120.40 121.35 2eed s VAL 34 Ca 0.09 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 2eed s VAL 34 Cb -0.11 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2eed s VAL 34 CO 0.02 0.45 0.63 -0.62 0.00 0.00 0.00 175.10 175.57 2eed s ASP 35 N 1.32 6.48 -0.45 3.32 2.15 -1.07 -2.77 116.67 125.65 2eed s ASP 35 Ca 0.04 0.36 0.03 0.00 0.43 0.00 0.00 52.55 53.42 2eed s ASP 35 Cb -0.14 -2.33 0.46 0.00 -0.30 0.00 0.00 42.92 40.62 2eed s ASP 35 CO -0.10 -0.50 1.57 0.00 -0.17 0.00 0.00 175.17 175.98 2eed h SER 37 N 1.97 0.00 -0.01 0.00 0.87 -1.89 -3.28 113.55 111.20 2eed h SER 37 Ca 0.46 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2eed h SER 37 Cb 1.28 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2eed h SER 37 CO 1.07 0.87 -0.00 0.11 -0.53 0.00 0.00 176.83 178.35 2eed h LYS 38 N -1.00 0.05 0.00 2.24 1.79 -1.86 -3.18 116.57 114.61 2eed h LYS 38 Ca -0.07 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2eed h LYS 38 Cb 0.62 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2eed h LYS 38 CO -0.04 0.06 0.00 0.00 -1.08 0.00 0.00 179.45 178.39 2eed n ALA 39 N -2.53 -0.45 0.00 3.86 0.00 -1.26 -4.89 120.51 115.24 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.86 -1.27 3.15 0.00 0.00 -1.20 -3.62 105.19 101.39 2eed n GLY 40 Ca 0.00 0.45 0.05 0.00 0.00 0.00 0.00 46.02 46.52 2eed n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eed s SER 41 N -4.00 -0.78 0.29 1.61 0.15 -1.26 -4.86 113.70 104.84 2eed s SER 41 Ca 0.00 0.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.86 2eed s SER 41 Cb 0.00 1.58 0.03 0.00 -1.71 0.00 0.00 66.02 65.92 2eed s SER 41 CO 0.00 -0.14 0.53 -3.20 1.20 0.00 0.00 173.24 171.62 2eed n ASN 42 N 5.35 -1.53 -4.80 5.45 2.85 -1.26 -4.81 115.26 116.52 2eed n ASN 42 Ca 0.01 -2.28 -0.37 0.00 -0.11 0.00 0.00 54.58 51.83 2eed n ASN 42 Cb 0.54 2.60 -0.07 0.00 1.24 0.00 0.00 39.78 44.10 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 -2.23 3.90 -0.34 1.20 0.23 -1.26 -4.97 119.30 115.83 2eed s MET 43 Ca 0.15 0.04 -0.10 0.00 -1.03 0.00 0.00 55.69 54.75 2eed s MET 43 Cb -0.03 -3.30 0.01 0.00 -1.53 0.00 0.00 34.83 29.98 2eed s MET 43 CO 0.11 0.52 0.18 -1.17 -2.03 0.00 0.00 175.02 172.63 2eed s LEU 44 N -0.37 4.44 0.35 0.18 2.96 -1.26 -2.39 118.68 122.59 2eed s LEU 44 Ca 0.16 -0.77 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 2eed s LEU 44 Cb -0.13 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.48 2eed s LEU 44 CO 0.05 -0.30 -0.04 -1.48 -1.32 0.00 0.00 176.35 173.26 2eed s LEU 45 N 1.58 2.84 0.05 -0.68 -0.00 -1.24 -5.08 118.68 116.16 2eed s LEU 45 Ca 0.03 -1.14 0.06 0.00 -0.00 0.00 0.00 54.13 53.09 2eed s LEU 45 Cb -0.18 -1.13 -0.03 0.00 -0.00 0.00 0.00 46.19 44.86 2eed s LEU 45 CO 0.06 -0.25 -0.17 -0.63 -0.00 0.00 0.00 176.35 175.37 2eed s ILE 46 N -2.59 1.38 -0.40 1.48 -1.09 -1.26 -3.24 121.20 115.49 2eed s ILE 46 Ca 0.34 -1.17 0.11 0.00 -2.23 0.00 0.00 60.65 57.70 2eed s ILE 46 Cb 0.02 -1.24 0.42 0.00 -1.58 0.00 0.00 42.46 40.08 2eed s ILE 46 CO 0.18 0.04 0.97 0.61 -1.23 0.00 0.00 174.94 175.51 2eed n GLY 47 N 1.71 3.83 3.26 6.18 0.00 -0.89 -5.03 105.19 114.25 2eed n GLY 47 Ca -0.18 -2.03 -0.49 0.00 0.00 0.00 0.00 46.02 43.31 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 -0.18 0.00 -2.73 1.61 0.24 -1.26 -4.52 118.33 111.49 2eed n VAL 48 Ca 0.24 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.19 2eed n VAL 48 Cb 0.69 -0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 32.52 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 7.17 3.36 -0.71 6.34 2.46 -1.25 -4.97 115.29 127.68 2eed s HIS 49 Ca 1.23 1.66 0.04 0.00 0.47 0.00 0.00 55.06 58.46 2eed s HIS 49 Cb -1.34 -2.94 0.31 0.00 -0.13 0.00 0.00 32.58 28.47 2eed s HIS 49 CO 0.56 -0.21 1.07 0.41 -2.47 0.00 0.00 174.74 174.10 2eed n GLY 50 N -0.11 5.41 0.20 1.59 0.00 -1.26 -4.69 105.19 106.32 2eed n GLY 50 Ca 0.06 -2.74 0.06 0.00 0.00 0.00 0.00 46.02 43.39 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 3.77 0.00 0.00 1.61 0.13 -1.94 -3.40 132.00 132.16 2eed h PRO 51 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2eed h PRO 51 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2eed h PRO 51 CO 0.93 0.35 -0.20 0.25 -0.23 0.00 0.00 178.00 179.09 2eed n THR 52 N -3.71 0.72 -3.83 1.56 -2.24 -1.26 -5.11 114.28 100.41 2eed n THR 52 Ca -0.01 0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.89 2eed n THR 52 Cb 0.44 -1.34 -0.12 0.00 -2.10 0.00 0.00 70.33 67.22 2eed n THR 52 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2eed s THR 53 N -2.00 0.02 0.98 4.28 -4.23 -1.26 -5.16 115.64 108.26 2eed s THR 53 Ca 0.00 -0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.19 2eed s THR 53 Cb 0.00 -0.29 0.17 0.00 1.34 0.00 0.00 72.50 73.73 2eed s THR 53 CO 0.00 -0.11 1.09 -2.16 -0.54 0.00 0.00 174.62 172.90 2eed s PRO 54 N -0.34 0.62 0.13 3.99 0.04 -1.26 -4.73 135.00 133.45 2eed s PRO 54 Ca -0.04 0.59 0.04 0.00 0.04 0.00 0.00 61.00 61.63 2eed s PRO 54 Cb -0.03 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 2eed s PRO 54 CO 0.01 -2.62 0.17 0.00 0.04 0.00 0.00 177.00 174.59 2eed h GLU 56 N 2.58 0.50 -2.13 0.00 4.81 -0.89 -3.48 114.58 115.96 2eed h GLU 56 Ca -0.47 -0.07 0.27 0.00 -0.13 0.00 0.00 59.36 58.96 2eed h GLU 56 Cb 1.19 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 2eed h GLU 56 CO 0.66 0.44 0.75 -1.83 -0.73 0.00 0.00 179.01 178.30 2eed s GLU 57 N -5.76 0.75 -0.23 1.92 1.03 -1.26 -4.98 118.70 110.17 2eed s GLU 57 Ca -0.13 -0.47 -0.04 0.00 0.03 0.00 0.00 54.97 54.36 2eed s GLU 57 Cb 0.10 0.22 0.08 0.00 -0.80 0.00 0.00 34.13 33.73 2eed s GLU 57 CO 0.73 -0.35 0.13 0.08 -1.33 0.00 0.00 175.26 174.52 2eed s VAL 58 N -2.26 -0.13 -0.44 1.83 1.01 -1.26 -3.60 120.40 115.55 2eed s VAL 58 Ca 0.22 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 2eed s VAL 58 Cb -0.00 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.63 2eed s VAL 58 CO 0.01 -0.46 0.57 -0.55 0.00 0.00 0.00 175.10 174.66 2eed s SER 59 N 2.16 6.26 -0.13 3.32 0.15 0.85 -4.95 113.70 121.36 2eed s SER 59 Ca 0.06 -0.53 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 2eed s SER 59 Cb -0.16 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 2eed s SER 59 CO -0.22 -0.72 -0.11 -0.04 1.20 0.00 0.00 173.24 173.35 2eed s MET 60 N 2.55 3.40 0.03 5.44 -1.94 -1.26 -0.93 119.30 126.59 2eed s MET 60 Ca 0.18 -0.64 -0.01 0.00 -1.71 0.00 0.00 55.69 53.51 2eed s MET 60 Cb -0.16 -2.69 -0.02 0.00 2.01 0.00 0.00 34.83 33.97 2eed s MET 60 CO 0.16 0.26 -0.01 0.21 -0.01 0.00 0.00 175.02 175.62 2eed s LYS 61 N 0.26 0.41 -0.84 2.03 2.20 0.96 -4.98 119.74 119.79 2eed s LYS 61 Ca -0.08 -0.77 0.01 0.00 -0.36 0.00 0.00 55.97 54.78 2eed s LYS 61 Cb -0.15 0.15 0.29 0.00 -1.51 0.00 0.00 37.83 36.61 2eed s LYS 61 CO 0.05 -0.07 1.16 1.58 -0.36 0.00 0.00 175.35 177.70 2eed n HIS 62 N 1.16 3.06 -0.55 4.03 -0.00 -1.26 0.93 115.22 122.58 2eed n HIS 62 Ca -0.21 -3.38 0.43 0.00 -0.00 0.00 0.00 57.72 54.56 2eed n HIS 62 Cb 0.57 -0.88 0.68 0.00 -0.00 0.00 0.00 29.99 30.36 2eed n HIS 62 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 2eed n VAL 63 N 0.83 -0.09 0.00 3.57 0.24 -1.14 -4.85 118.33 116.89 2eed n VAL 63 Ca 0.30 1.43 0.00 0.00 -2.04 0.00 0.00 64.34 64.03 2eed n VAL 63 Cb 0.36 -2.36 0.00 0.00 -1.47 0.00 0.00 33.84 30.38 2eed n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2eed n GLY 64 N -1.68 0.06 3.49 7.63 0.00 -1.17 -4.98 105.19 108.54 2eed n GLY 64 Ca 0.38 -2.29 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.88 -2.23 1.61 3.02 -1.26 0.34 115.26 112.87 2eed n ASN 65 Ca 0.00 -0.49 -0.17 0.00 -0.03 0.00 0.00 54.58 53.89 2eed n ASN 65 Cb 0.00 -3.19 0.02 0.00 -0.61 0.00 0.00 39.78 36.00 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2eed n GLN 66 N -3.90 -3.00 -5.25 3.52 3.00 -1.26 -4.86 117.38 105.64 2eed n GLN 66 Ca -0.00 0.74 -0.31 0.00 -0.01 0.00 0.00 57.00 57.42 2eed n GLN 66 Cb 0.54 -5.19 -0.16 0.00 0.00 0.00 0.00 30.24 25.43 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 -5.23 2.36 -0.19 -1.09 -0.21 0.15 -1.02 119.66 114.44 2eed s GLN 67 Ca 0.16 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.65 2eed s GLN 67 Cb -0.07 -2.08 0.04 0.00 1.00 0.00 0.00 33.01 31.90 2eed s GLN 67 CO 0.20 0.42 -0.11 0.71 -2.12 0.00 0.00 175.29 174.39 2eed s TYR 68 N -0.29 2.35 -0.38 0.91 2.02 -1.11 -2.87 117.35 117.98 2eed s TYR 68 Ca 0.00 -1.50 -0.23 0.00 -0.37 0.00 0.00 57.07 54.98 2eed s TYR 68 Cb -0.12 -1.63 0.01 0.00 -0.40 0.00 0.00 41.96 39.82 2eed s TYR 68 CO 0.02 -0.72 0.78 1.21 -1.57 0.00 0.00 175.55 175.27 2eed s ASN 69 N 1.42 6.52 -0.15 2.29 3.04 0.26 -2.93 114.94 125.40 2eed s ASN 69 Ca 0.00 0.27 0.01 0.00 0.04 0.00 0.00 52.86 53.19 2eed s ASN 69 Cb -0.15 -2.39 0.02 0.00 -1.54 0.00 0.00 41.25 37.18 2eed s ASN 69 CO -0.09 -0.77 -0.18 -0.69 -3.04 0.00 0.00 177.10 172.33 2eed s VAL 70 N 3.14 1.82 -0.00 -5.21 1.01 -1.04 -0.03 120.40 120.10 2eed s VAL 70 Ca 0.31 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2eed s VAL 70 Cb -0.13 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2eed s VAL 70 CO 0.18 0.50 -0.07 -0.89 0.00 0.00 0.00 175.10 174.83 2eed s THR 71 N 1.15 0.51 0.32 3.92 2.01 -0.11 -1.91 115.64 121.54 2eed s THR 71 Ca -0.01 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.71 2eed s THR 71 Cb -0.14 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 2eed s THR 71 CO -0.07 0.12 0.16 -0.72 -0.69 0.00 0.00 174.62 173.41 2eed s TYR 72 N -0.22 1.65 -0.03 4.92 -0.85 -0.91 -0.11 117.35 121.81 2eed s TYR 72 Ca 0.02 -1.36 -0.00 0.00 -0.52 0.00 0.00 57.07 55.20 2eed s TYR 72 Cb -0.03 -0.91 0.03 0.00 0.38 0.00 0.00 41.96 41.43 2eed s TYR 72 CO -0.00 -0.49 0.01 0.08 -1.52 0.00 0.00 175.55 173.63 2eed s VAL 73 N -3.52 0.11 -0.06 -3.49 1.01 -1.24 -2.92 120.40 110.29 2eed s VAL 73 Ca 0.34 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 2eed s VAL 73 Cb 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2eed s VAL 73 CO 0.18 0.15 -0.01 0.68 0.00 0.00 0.00 175.10 176.09 2eed s VAL 74 N 1.25 4.14 -0.16 2.92 -7.23 -1.26 -0.11 120.40 119.95 2eed s VAL 74 Ca -0.07 -0.37 0.17 0.00 -1.81 0.00 0.00 61.98 59.90 2eed s VAL 74 Cb -0.13 -2.75 -0.25 0.00 0.56 0.00 0.00 36.38 33.81 2eed s VAL 74 CO -0.02 0.56 0.23 0.29 -0.31 0.00 0.00 175.10 175.85 2eed n LYS 75 N 2.00 0.67 -4.29 4.82 4.76 -1.26 -0.81 118.16 124.06 2eed n LYS 75 Ca -0.18 0.06 -0.23 0.00 -2.87 0.00 0.00 58.31 55.09 2eed n LYS 75 Cb 0.53 -1.59 -0.07 0.00 -1.84 0.00 0.00 35.03 32.06 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 -2.55 2.25 0.49 1.97 2.12 -1.26 -4.69 118.70 117.03 2eed s GLU 76 Ca -0.09 -1.48 0.08 0.00 0.36 0.00 0.00 54.97 53.84 2eed s GLU 76 Cb 0.07 -2.12 0.03 0.00 0.26 0.00 0.00 34.13 32.36 2eed s GLU 76 CO 0.83 0.32 0.51 -0.98 -0.54 0.00 0.00 175.26 175.40 2eed s ARG 77 N -3.68 2.42 0.00 4.30 1.70 -1.26 -4.79 118.95 117.64 2eed s ARG 77 Ca 0.32 -1.68 0.00 0.00 -0.47 0.00 0.00 55.73 53.90 2eed s ARG 77 Cb -0.05 -2.39 0.00 0.00 -0.57 0.00 0.00 34.95 31.93 2eed s ARG 77 CO 0.20 -0.49 0.00 0.41 -1.08 0.00 0.00 175.30 174.33 2eed n GLY 78 N -1.81 0.67 3.56 3.88 0.00 -1.10 -4.96 105.19 105.44 2eed n GLY 78 Ca 0.05 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 2eed n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2eed s ASP 79 N -4.00 6.49 0.34 1.61 1.01 -1.26 -1.71 116.67 119.15 2eed s ASP 79 Ca 0.00 0.12 0.07 0.00 0.71 0.00 0.00 52.55 53.45 2eed s ASP 79 Cb 0.00 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 2eed s ASP 79 CO 0.00 -0.94 0.47 -0.31 0.21 0.00 0.00 175.17 174.60 2eed s TYR 80 N 3.48 3.09 -0.20 4.23 1.51 0.35 -4.82 117.35 124.98 2eed s TYR 80 Ca 0.34 -0.23 -0.02 0.00 -1.01 0.00 0.00 57.07 56.15 2eed s TYR 80 Cb -0.11 -2.00 0.06 0.00 -0.11 0.00 0.00 41.96 39.79 2eed s TYR 80 CO 0.23 -0.02 0.00 0.08 -1.11 0.00 0.00 175.55 174.73 2eed s VAL 81 N -2.19 0.83 -0.08 0.71 1.01 -1.26 -2.78 120.40 116.64 2eed s VAL 81 Ca 0.45 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 2eed s VAL 81 Cb -0.09 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2eed s VAL 81 CO 0.31 -0.14 0.52 -0.22 0.00 0.00 0.00 175.10 175.57 2eed s LEU 82 N 1.72 4.32 -0.22 3.92 2.96 -0.97 -3.77 118.68 126.65 2eed s LEU 82 Ca -0.02 0.94 0.02 0.00 -0.22 0.00 0.00 54.13 54.85 2eed s LEU 82 Cb -0.17 -2.78 0.04 0.00 0.50 0.00 0.00 46.19 43.77 2eed s LEU 82 CO -0.07 0.03 -0.15 0.00 -1.32 0.00 0.00 176.35 174.84 2eed s ALA 83 N 0.36 2.47 -0.17 5.97 0.00 -1.26 -1.54 121.76 127.59 2eed s ALA 83 Ca 0.28 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2eed s ALA 83 Cb -0.16 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.58 2eed s ALA 83 CO 0.13 -0.76 -0.13 0.08 0.00 0.00 0.00 175.76 175.07 2eed s VAL 84 N 1.21 1.63 0.16 0.00 1.01 -1.26 -2.09 120.40 121.06 2eed s VAL 84 Ca -0.02 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2eed s VAL 84 Cb -0.16 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2eed s VAL 84 CO -0.09 0.38 0.08 -0.54 0.00 0.00 0.00 175.10 174.93 2eed s LYS 85 N 1.45 2.70 -0.45 2.72 1.02 -1.20 -2.21 119.74 123.76 2eed s LYS 85 Ca 0.03 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.09 2eed s LYS 85 Cb -0.14 -2.53 0.13 0.00 -0.52 0.00 0.00 37.83 34.77 2eed s LYS 85 CO -0.10 0.48 0.23 -0.46 -0.92 0.00 0.00 175.35 174.58 2eed s TRP 86 N -1.72 2.27 -0.60 3.18 -0.00 0.42 -3.69 118.94 118.81 2eed s TRP 86 Ca 0.29 -2.58 -0.16 0.00 -0.00 0.00 0.00 56.10 53.65 2eed s TRP 86 Cb -0.10 -2.11 0.02 0.00 -0.00 0.00 0.00 33.47 31.29 2eed s TRP 86 CO 0.21 -0.78 0.64 0.41 -0.00 0.00 0.00 176.95 177.43 2eed n GLY 87 N 3.51 -0.84 3.30 5.86 0.00 -1.01 -3.12 105.19 112.89 2eed n GLY 87 Ca 0.07 0.92 -0.19 0.00 0.00 0.00 0.00 46.02 46.82 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 -1.14 -6.65 -3.83 1.61 1.02 -1.26 -4.99 120.64 105.40 2eed n GLU 88 Ca -0.08 0.75 -0.07 0.00 -0.02 0.00 0.00 57.16 57.75 2eed n GLU 88 Cb 0.60 -5.53 0.01 0.00 -0.02 0.00 0.00 31.44 26.49 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 -5.77 1.81 -0.20 3.49 2.02 -1.18 -5.12 118.70 113.75 2eed s GLU 89 Ca 0.30 -1.11 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 2eed s GLU 89 Cb -0.13 0.54 0.05 0.00 0.10 0.00 0.00 34.13 34.69 2eed s GLU 89 CO 0.65 -0.84 -0.05 -1.01 0.02 0.00 0.00 175.26 174.03 2eed s HIS 90 N -2.78 1.98 0.60 1.61 3.76 -1.26 -0.43 115.29 118.75 2eed s HIS 90 Ca 0.15 -1.36 -0.18 0.00 -0.15 0.00 0.00 55.06 53.52 2eed s HIS 90 Cb -0.04 -1.42 -0.12 0.00 1.11 0.00 0.00 32.58 32.11 2eed s HIS 90 CO 0.08 -0.69 0.09 0.44 -0.85 0.00 0.00 174.74 173.81 2eed n ILE 91 N 4.80 0.89 -2.04 0.60 -5.35 -0.94 -4.77 119.36 112.55 2eed n ILE 91 Ca -0.12 -0.48 -0.37 0.00 -0.27 0.00 0.00 62.75 61.50 2eed n ILE 91 Cb 0.46 -0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 38.03 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 -1.66 2.62 0.00 6.28 0.04 -1.26 -2.73 135.00 138.29 2eed s PRO 92 Ca 0.60 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2eed s PRO 92 Cb -0.43 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.66 2eed s PRO 92 CO 0.63 -2.79 0.00 0.41 0.04 0.00 0.00 177.00 175.29 2eed n GLY 93 N 5.80 1.13 3.87 0.56 0.00 -1.26 -5.03 105.19 110.25 2eed n GLY 93 Ca 0.22 0.00 -0.32 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 0.00 6.65 0.17 1.61 0.15 -1.11 -3.43 113.70 117.75 2eed s SER 94 Ca 0.00 1.08 -0.30 0.00 0.70 0.00 0.00 55.95 57.43 2eed s SER 94 Cb 0.00 -2.29 -0.08 0.00 -1.71 0.00 0.00 66.02 61.93 2eed s SER 94 CO 0.00 -0.19 1.32 -2.16 1.20 0.00 0.00 173.24 173.41 2eed s PRO 95 N -3.12 4.38 0.46 5.44 0.04 -1.26 -4.92 135.00 136.01 2eed s PRO 95 Ca 0.50 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.42 2eed s PRO 95 Cb -0.11 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 2eed s PRO 95 CO 0.22 -0.29 0.92 -0.06 0.04 0.00 0.00 177.00 177.83 2eed s PHE 96 N 0.40 3.41 -0.50 0.56 0.40 -0.59 -4.87 117.98 116.80 2eed s PHE 96 Ca 0.59 1.41 -0.14 0.00 -0.60 0.00 0.00 56.93 58.18 2eed s PHE 96 Cb -0.36 -2.73 0.11 0.00 0.51 0.00 0.00 43.02 40.55 2eed s PHE 96 CO 0.36 -0.22 0.43 -1.58 0.70 0.00 0.00 175.22 174.91 2eed s HIS 97 N -2.41 3.28 -0.33 0.36 2.46 -1.26 -2.29 115.29 115.09 2eed s HIS 97 Ca 0.58 -1.27 -0.09 0.00 0.47 0.00 0.00 55.06 54.75 2eed s HIS 97 Cb -0.10 -3.51 0.01 0.00 -0.13 0.00 0.00 32.58 28.86 2eed s HIS 97 CO 0.25 -0.94 0.14 0.08 -2.47 0.00 0.00 174.74 171.81 2eed s VAL 98 N 1.57 4.28 0.13 0.89 1.01 -1.12 -4.76 120.40 122.41 2eed s VAL 98 Ca 0.04 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2eed s VAL 98 Cb -0.27 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2eed s VAL 98 CO 0.04 -0.05 0.35 -0.89 0.00 0.00 0.00 175.10 174.54 2eed s THR 99 N 1.53 5.20 -0.08 3.92 2.01 -1.25 -0.50 115.64 126.47 2eed s THR 99 Ca 0.02 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.97 2eed s THR 99 Cb -0.18 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.72 2eed s THR 99 CO 0.05 0.04 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.25 2eed s VAL 100 N -1.65 0.93 -2.00 3.82 1.01 -0.69 -1.19 120.40 120.63 2eed s VAL 100 Ca 0.40 -0.29 0.16 0.00 0.00 0.00 0.00 61.98 62.24 2eed s VAL 100 Cb -0.12 -0.93 0.44 0.00 0.00 0.00 0.00 36.38 35.78 2eed s VAL 100 CO 0.25 0.33 1.34 -0.81 0.00 0.00 0.00 175.10 176.22