#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 0.16 -4.03 1.61 4.64 -2.10 -3.47 113.55 110.36 2eed h SER 2 Ca 0.00 -0.69 -0.69 0.00 -0.47 0.00 0.00 61.79 59.94 2eed h SER 2 Cb 0.00 -0.05 -0.23 0.00 -0.31 0.00 0.00 62.40 61.81 2eed h SER 2 CO 0.00 1.56 -0.83 -0.55 -0.87 0.00 0.00 176.83 176.14 2eed s SER 3 N -6.89 3.58 0.05 4.97 0.15 -1.26 -5.05 113.70 109.24 2eed s SER 3 Ca -0.25 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 55.88 2eed s SER 3 Cb 0.05 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2eed s SER 3 CO 0.67 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.96 2eed n GLY 4 N 1.46 0.03 3.69 9.45 0.00 -1.26 -4.98 105.19 113.58 2eed n GLY 4 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2eed n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eed n SER 5 N -2.92 -1.33 -3.59 1.61 3.41 -1.26 -4.82 113.62 104.72 2eed n SER 5 Ca 0.00 -0.87 -0.14 0.00 -0.26 0.00 0.00 58.87 57.59 2eed n SER 5 Cb 0.00 -1.17 -0.06 0.00 -0.26 0.00 0.00 64.21 62.72 2eed n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2eed s SER 6 N -2.62 -0.64 0.00 4.04 0.01 -1.26 -5.04 113.70 108.19 2eed s SER 6 Ca 0.60 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.86 2eed s SER 6 Cb -0.35 0.94 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2eed s SER 6 CO 0.73 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.62 2eed n GLY 7 N 1.79 0.90 3.69 3.44 0.00 -1.26 -5.05 105.19 108.70 2eed n GLY 7 Ca -0.15 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.96 6.68 -0.13 1.61 0.15 -1.26 -4.59 113.70 114.21 2eed s SER 8 Ca 0.00 2.38 -0.18 0.00 0.70 0.00 0.00 55.95 58.86 2eed s SER 8 Cb 0.00 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2eed s SER 8 CO 0.00 -0.82 0.45 -0.44 1.20 0.00 0.00 173.24 173.63 2eed s SER 9 N 2.12 6.65 0.01 5.45 0.01 -1.26 -4.78 113.70 121.90 2eed s SER 9 Ca 0.70 0.77 0.05 0.00 1.31 0.00 0.00 55.95 58.78 2eed s SER 9 Cb -0.38 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 2eed s SER 9 CO 0.30 0.01 -0.12 -1.81 0.41 0.00 0.00 173.24 172.04 2eed s ASP 10 N 0.62 4.24 -0.16 2.44 1.11 -0.07 -4.96 116.67 119.89 2eed s ASP 10 Ca 0.25 -0.26 -0.12 0.00 0.18 0.00 0.00 52.55 52.60 2eed s ASP 10 Cb -0.15 -0.87 -0.23 0.00 1.07 0.00 0.00 42.92 42.74 2eed s ASP 10 CO 0.09 0.28 0.28 0.00 1.18 0.00 0.00 175.17 177.00 2eed n ALA 11 N 1.63 0.87 0.14 5.23 0.00 -1.26 -4.05 120.51 123.08 2eed n ALA 11 Ca -0.16 -0.58 0.17 0.00 0.00 0.00 0.00 53.44 52.87 2eed n ALA 11 Cb 0.52 -0.61 0.55 0.00 0.00 0.00 0.00 19.45 19.91 2eed n ALA 11 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2eed h SER 12 N -0.31 0.00 0.16 0.00 0.02 -1.94 0.52 113.55 112.01 2eed h SER 12 Ca -0.41 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.30 2eed h SER 12 Cb 1.78 0.00 0.03 0.00 0.14 0.00 0.00 62.40 64.35 2eed h SER 12 CO -0.03 0.00 -1.03 0.11 -1.14 0.00 0.00 176.83 174.75 2eed h LYS 13 N 0.00 0.41 -6.22 3.45 1.79 -1.90 -3.45 116.57 110.66 2eed h LYS 13 Ca 0.17 -0.66 -0.68 0.00 -2.18 0.00 0.00 60.65 57.30 2eed h LYS 13 Cb 1.57 0.24 0.02 0.00 -1.58 0.00 0.00 32.23 32.48 2eed h LYS 13 CO -0.00 1.30 0.92 0.28 -1.08 0.00 0.00 179.45 180.87 2eed n VAL 14 N -3.99 0.35 -4.17 0.50 0.31 0.18 -4.86 118.33 106.66 2eed n VAL 14 Ca -0.14 -0.06 -0.30 0.00 -0.01 0.00 0.00 64.34 63.83 2eed n VAL 14 Cb 0.91 -1.43 -0.08 0.00 -0.91 0.00 0.00 33.84 32.32 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 3.27 3.78 0.00 2.52 -4.23 -1.00 -4.55 115.64 115.42 2eed s THR 15 Ca 0.94 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 2eed s THR 15 Cb -0.91 -2.80 -0.00 0.00 1.34 0.00 0.00 72.50 70.13 2eed s THR 15 CO 0.57 0.08 -0.01 -0.94 -0.54 0.00 0.00 174.62 173.79 2eed s SER 16 N -2.37 0.13 0.08 3.99 1.04 -1.26 -0.83 113.70 114.48 2eed s SER 16 Ca 0.25 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.61 2eed s SER 16 Cb -0.11 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 2eed s SER 16 CO 0.17 -0.02 -0.05 -1.59 0.98 0.00 0.00 173.24 172.72 2eed s LYS 17 N -0.19 0.75 0.00 4.02 0.00 -1.09 -5.03 119.74 118.21 2eed s LYS 17 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 55.97 54.66 2eed s LYS 17 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.76 2eed s LYS 17 CO -0.00 -0.05 0.00 0.41 0.00 0.00 0.00 175.35 175.71 2eed n GLY 18 N 0.01 0.94 0.09 0.59 0.00 -1.26 -2.90 105.19 102.66 2eed n GLY 18 Ca -0.13 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 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 0.14 -1.01 4.61 0.00 -1.85 -3.35 119.26 117.80 2eed h ALA 19 Ca 0.00 -0.85 0.38 0.00 0.00 0.00 0.00 54.91 54.43 2eed h ALA 19 Cb 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 18.19 2eed h ALA 19 CO 0.00 0.51 0.61 0.41 0.00 0.00 0.00 179.25 180.78 2eed n GLY 20 N 1.53 -0.66 0.24 0.00 0.00 -1.18 0.23 105.19 105.35 2eed n GLY 20 Ca -0.21 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 2eed n GLY 20 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2eed h LEU 21 N 0.00 0.88 0.00 0.99 3.38 -1.86 -3.35 115.31 115.35 2eed h LEU 21 Ca 0.72 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2eed h LEU 21 Cb 2.14 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 2eed h LEU 21 CO -0.50 1.14 -0.07 -1.28 0.09 0.00 0.00 178.44 177.82 2eed h SER 22 N 0.63 0.00 -5.05 -0.43 0.87 0.28 -3.41 113.55 106.44 2eed h SER 22 Ca 0.07 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.31 2eed h SER 22 Cb 0.86 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.66 2eed h SER 22 CO 0.07 0.66 -0.09 -1.59 -0.53 0.00 0.00 176.83 175.36 2eed s LYS 23 N -1.78 0.97 0.33 2.24 -2.85 0.20 -3.87 119.74 114.97 2eed s LYS 23 Ca -0.06 -0.44 0.03 0.00 -1.00 0.00 0.00 55.97 54.49 2eed s LYS 23 Cb -0.00 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.14 2eed s LYS 23 CO 0.20 -0.35 0.08 0.00 0.10 0.00 0.00 175.35 175.38 2eed s ALA 24 N -2.82 2.32 -0.03 0.59 0.00 -1.19 -3.10 121.76 117.52 2eed s ALA 24 Ca -0.03 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.10 2eed s ALA 24 Cb -0.00 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.92 2eed s ALA 24 CO -0.05 -0.35 -0.02 -0.06 0.00 0.00 0.00 175.76 175.28 2eed s PHE 25 N -3.39 0.44 0.09 0.00 0.40 -1.26 -3.95 117.98 110.31 2eed s PHE 25 Ca 0.34 -0.06 -0.36 0.00 -0.60 0.00 0.00 56.93 56.24 2eed s PHE 25 Cb 0.07 -0.46 -0.17 0.00 0.51 0.00 0.00 43.02 42.97 2eed s PHE 25 CO 0.15 -0.13 1.28 0.28 0.70 0.00 0.00 175.22 177.50 2eed n VAL 26 N 3.98 0.14 0.00 -0.44 0.31 -1.26 -1.20 118.33 119.87 2eed n VAL 26 Ca -0.25 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2eed n VAL 26 Cb 0.51 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 2.35 1.91 3.73 2.92 0.00 -1.17 -4.97 105.19 109.95 2eed n GLY 27 Ca 0.18 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 4.17 -0.58 1.61 -0.21 -0.34 -4.90 119.66 119.41 2eed s GLN 28 Ca 0.00 2.49 -0.28 0.00 0.02 0.00 0.00 55.36 57.59 2eed s GLN 28 Cb 0.00 -3.10 0.02 0.00 1.00 0.00 0.00 33.01 30.94 2eed s GLN 28 CO 0.00 -0.66 1.27 0.21 -2.12 0.00 0.00 175.29 173.99 2eed s LYS 29 N 0.81 3.44 -0.09 2.91 2.20 -1.26 -4.57 119.74 123.18 2eed s LYS 29 Ca 0.70 0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 56.40 2eed s LYS 29 Cb -0.47 -4.05 -0.03 0.00 -1.51 0.00 0.00 37.83 31.76 2eed s LYS 29 CO 0.35 -1.78 0.68 -1.12 -0.36 0.00 0.00 175.35 173.12 2eed s SER 30 N 3.47 6.93 0.12 1.43 0.01 -1.18 -4.96 113.70 119.52 2eed s SER 30 Ca 0.46 1.11 0.07 0.00 1.31 0.00 0.00 55.95 58.90 2eed s SER 30 Cb -0.09 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 2eed s SER 30 CO 0.25 -0.13 -0.16 -0.94 0.41 0.00 0.00 173.24 172.67 2eed s SER 31 N 0.84 2.18 -0.11 2.44 1.04 -1.26 -2.23 113.70 116.60 2eed s SER 31 Ca 0.35 -0.79 -0.15 0.00 0.48 0.00 0.00 55.95 55.84 2eed s SER 31 Cb -0.17 -0.09 0.04 0.00 0.10 0.00 0.00 66.02 65.89 2eed s SER 31 CO 0.16 -0.09 0.39 0.72 0.98 0.00 0.00 173.24 175.40 2eed s PHE 32 N -1.93 -0.39 -0.02 5.02 -0.12 -0.95 -4.06 117.98 115.53 2eed s PHE 32 Ca 0.09 0.88 -0.01 0.00 -0.05 0.00 0.00 56.93 57.84 2eed s PHE 32 Cb -0.06 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2eed s PHE 32 CO 0.04 -0.27 0.09 -1.17 -0.05 0.00 0.00 175.22 173.86 2eed s LEU 33 N -0.22 3.97 -0.24 -1.99 1.98 -1.14 -2.70 118.68 118.34 2eed s LEU 33 Ca -0.04 0.19 0.01 0.00 -2.89 0.00 0.00 54.13 51.41 2eed s LEU 33 Cb -0.03 -2.28 0.06 0.00 0.66 0.00 0.00 46.19 44.60 2eed s LEU 33 CO 0.02 0.28 -0.08 -0.69 -1.89 0.00 0.00 176.35 174.00 2eed s VAL 34 N -1.19 1.73 -0.12 1.68 1.01 -1.08 -2.67 120.40 119.76 2eed s VAL 34 Ca 0.22 -1.32 -0.26 0.00 0.00 0.00 0.00 61.98 60.63 2eed s VAL 34 Cb -0.12 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2eed s VAL 34 CO 0.13 -0.05 0.84 -0.62 0.00 0.00 0.00 175.10 175.41 2eed s ASP 35 N 1.31 7.05 -0.09 3.32 -1.08 -0.01 -2.70 116.67 124.47 2eed s ASP 35 Ca -0.06 1.28 0.19 0.00 -0.52 0.00 0.00 52.55 53.44 2eed s ASP 35 Cb -0.19 -2.47 0.40 0.00 -1.46 0.00 0.00 42.92 39.20 2eed s ASP 35 CO -0.06 -0.32 1.18 0.00 0.52 0.00 0.00 175.17 176.49 2eed h SER 37 N 0.92 0.39 -0.53 0.00 0.87 -1.89 -3.06 113.55 110.26 2eed h SER 37 Ca -0.12 -0.16 -0.30 0.00 -1.23 0.00 0.00 61.79 59.99 2eed h SER 37 Cb 1.49 -0.10 -0.18 0.00 -0.44 0.00 0.00 62.40 63.17 2eed h SER 37 CO 0.05 0.44 0.05 2.29 -0.53 0.00 0.00 176.83 179.13 2eed n LYS 38 N -4.76 2.07 -0.10 2.24 2.85 -1.26 -4.64 118.16 114.57 2eed n LYS 38 Ca -0.02 -3.24 -0.12 0.00 -1.05 0.00 0.00 58.31 53.87 2eed n LYS 38 Cb 0.13 -1.94 -0.04 0.00 -0.65 0.00 0.00 35.03 32.52 2eed n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2eed n ALA 39 N -1.09 0.90 0.00 0.58 0.00 -1.16 -4.83 120.51 114.91 2eed n ALA 39 Ca 0.41 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2eed n ALA 39 Cb 1.12 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.61 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 1.44 1.16 1.89 0.00 0.00 -1.25 -0.90 105.19 107.53 2eed n GLY 40 Ca -0.20 -1.09 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 2eed n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eed n SER 41 N 0.00 5.76 -4.42 1.61 3.41 -1.26 -4.92 113.62 113.80 2eed n SER 41 Ca 0.00 -3.11 -0.22 0.00 -0.26 0.00 0.00 58.87 55.28 2eed n SER 41 Cb 0.00 -0.94 0.11 0.00 -0.26 0.00 0.00 64.21 63.12 2eed n SER 41 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2eed n ASN 42 N -0.03 1.29 -4.89 4.04 4.13 -1.26 -5.07 115.26 113.48 2eed n ASN 42 Ca 0.35 -2.08 -0.32 0.00 1.68 0.00 0.00 54.58 54.21 2eed n ASN 42 Cb 0.75 -0.61 -0.05 0.00 -1.54 0.00 0.00 39.78 38.33 2eed n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2eed s MET 43 N -4.96 3.37 -0.17 3.52 0.23 -1.26 -4.94 119.30 115.09 2eed s MET 43 Ca 0.63 -0.41 -0.06 0.00 -1.03 0.00 0.00 55.69 54.82 2eed s MET 43 Cb -0.04 -3.03 -0.04 0.00 -1.53 0.00 0.00 34.83 30.20 2eed s MET 43 CO 0.42 0.64 0.03 -1.17 -2.03 0.00 0.00 175.02 172.90 2eed s LEU 44 N -2.17 3.63 0.23 0.18 2.96 -1.26 -1.59 118.68 120.66 2eed s LEU 44 Ca 0.30 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 2eed s LEU 44 Cb -0.13 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2eed s LEU 44 CO 0.22 0.19 0.26 -1.48 -1.32 0.00 0.00 176.35 174.22 2eed s LEU 45 N 0.25 0.99 0.07 -0.68 -0.00 -1.22 -5.03 118.68 113.06 2eed s LEU 45 Ca 0.02 -1.32 0.03 0.00 -0.00 0.00 0.00 54.13 52.86 2eed s LEU 45 Cb -0.13 0.82 -0.03 0.00 -0.00 0.00 0.00 46.19 46.85 2eed s LEU 45 CO 0.01 -0.97 -0.09 -0.63 -0.00 0.00 0.00 176.35 174.67 2eed s ILE 46 N -3.97 0.74 -0.37 1.48 -1.09 -1.26 -3.26 121.20 113.46 2eed s ILE 46 Ca 0.34 -1.44 0.13 0.00 -2.23 0.00 0.00 60.65 57.45 2eed s ILE 46 Cb 0.04 -1.09 0.38 0.00 -1.58 0.00 0.00 42.46 40.21 2eed s ILE 46 CO 0.13 -0.52 0.82 0.61 -1.23 0.00 0.00 174.94 174.75 2eed n GLY 47 N 0.86 3.21 3.37 6.18 0.00 -0.34 -4.98 105.19 113.49 2eed n GLY 47 Ca -0.18 -1.68 -0.53 0.00 0.00 0.00 0.00 46.02 43.63 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 0.13 0.06 -2.76 1.61 0.24 -1.26 -4.38 118.33 111.97 2eed n VAL 48 Ca 0.21 -0.13 -0.35 0.00 -2.04 0.00 0.00 64.34 62.03 2eed n VAL 48 Cb 0.69 -1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 31.98 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 7.18 3.50 -0.70 6.34 2.46 -1.24 -4.97 115.29 127.85 2eed s HIS 49 Ca 1.18 1.70 0.04 0.00 0.47 0.00 0.00 55.06 58.45 2eed s HIS 49 Cb -1.18 -2.92 0.30 0.00 -0.13 0.00 0.00 32.58 28.65 2eed s HIS 49 CO 0.56 -0.02 1.02 0.41 -2.47 0.00 0.00 174.74 174.24 2eed n GLY 50 N 0.10 5.36 0.16 1.59 0.00 -1.26 -4.68 105.19 106.46 2eed n GLY 50 Ca 0.04 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.31 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 3.76 0.02 0.00 1.61 0.13 -1.94 -3.40 132.00 132.18 2eed h PRO 51 Ca 0.21 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 2eed h PRO 51 Cb 0.55 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 2eed h PRO 51 CO 0.91 0.50 -0.67 -2.37 -0.23 0.00 0.00 178.00 176.15 2eed n THR 52 N -3.96 0.51 -3.76 1.56 5.66 -1.26 -5.09 114.28 107.93 2eed n THR 52 Ca -0.02 0.14 -0.13 0.00 -3.05 0.00 0.00 64.05 61.00 2eed n THR 52 Cb 0.51 -1.55 -0.11 0.00 -1.55 0.00 0.00 70.33 67.62 2eed n THR 52 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2eed s THR 53 N -2.02 -0.00 1.00 1.09 -4.23 -1.26 -5.17 115.64 105.05 2eed s THR 53 Ca -0.01 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.38 2eed s THR 53 Cb 0.00 -0.45 0.19 0.00 1.34 0.00 0.00 72.50 73.58 2eed s THR 53 CO 0.02 0.00 1.09 -2.16 -0.54 0.00 0.00 174.62 173.03 2eed s PRO 54 N 0.20 0.41 0.14 3.99 0.04 -1.26 -4.72 135.00 133.79 2eed s PRO 54 Ca -0.00 0.52 0.04 0.00 0.04 0.00 0.00 61.00 61.60 2eed s PRO 54 Cb -0.02 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 2eed s PRO 54 CO 0.00 -2.75 0.17 0.00 0.04 0.00 0.00 177.00 174.46 2eed h GLU 56 N 2.50 0.59 -2.16 0.00 4.39 -0.93 -3.48 114.58 115.49 2eed h GLU 56 Ca -0.48 -0.09 0.26 0.00 0.34 0.00 0.00 59.36 59.40 2eed h GLU 56 Cb 1.19 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.67 2eed h GLU 56 CO 0.66 0.52 0.74 -1.83 -1.16 0.00 0.00 179.01 177.93 2eed s GLU 57 N -5.69 0.79 -0.24 2.33 -1.05 -1.26 -5.00 118.70 108.58 2eed s GLU 57 Ca -0.13 -0.49 -0.03 0.00 -0.15 0.00 0.00 54.97 54.16 2eed s GLU 57 Cb 0.10 0.23 0.10 0.00 -0.44 0.00 0.00 34.13 34.12 2eed s GLU 57 CO 0.75 -0.37 0.19 0.08 0.95 0.00 0.00 175.26 176.86 2eed s VAL 58 N -2.26 -0.23 -0.46 1.83 1.01 -1.26 -3.53 120.40 115.50 2eed s VAL 58 Ca 0.22 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 2eed s VAL 58 Cb -0.00 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.59 2eed s VAL 58 CO 0.01 -0.42 0.73 -0.55 0.00 0.00 0.00 175.10 174.87 2eed s SER 59 N 2.24 6.36 -0.18 3.32 0.15 0.84 -4.94 113.70 121.49 2eed s SER 59 Ca 0.07 -0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.45 2eed s SER 59 Cb -0.15 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2eed s SER 59 CO -0.23 -0.88 -0.14 -0.04 1.20 0.00 0.00 173.24 173.15 2eed s MET 60 N 3.10 3.19 -0.05 5.44 -1.94 -1.26 -1.17 119.30 126.62 2eed s MET 60 Ca 0.26 -0.74 -0.03 0.00 -1.71 0.00 0.00 55.69 53.47 2eed s MET 60 Cb -0.13 -2.71 0.02 0.00 2.01 0.00 0.00 34.83 34.02 2eed s MET 60 CO 0.20 -0.10 0.12 0.15 -0.01 0.00 0.00 175.02 175.38 2eed s LYS 61 N 1.12 0.11 -1.04 2.03 -0.14 0.11 -5.01 119.74 116.92 2eed s LYS 61 Ca 0.01 0.24 -0.17 0.00 -1.36 0.00 0.00 55.97 54.69 2eed s LYS 61 Cb -0.14 -0.04 0.14 0.00 -1.68 0.00 0.00 37.83 36.11 2eed s LYS 61 CO -0.05 -0.08 1.25 -1.58 -0.76 0.00 0.00 175.35 174.13 2eed s HIS 62 N 0.51 3.25 0.36 3.18 5.65 -1.26 -0.16 115.29 126.82 2eed s HIS 62 Ca -0.04 -1.66 0.22 0.00 0.25 0.00 0.00 55.06 53.84 2eed s HIS 62 Cb -0.05 -4.30 1.20 0.00 -1.18 0.00 0.00 32.58 28.25 2eed s HIS 62 CO -0.02 -1.46 1.64 -0.39 -0.65 0.00 0.00 174.74 173.85 2eed h VAL 63 N 5.42 0.00 0.00 0.89 -1.51 -1.82 -3.47 116.25 115.75 2eed h VAL 63 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.69 2eed h VAL 63 Cb 0.97 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 2eed h VAL 63 CO 1.17 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.12 2eed n GLY 64 N -1.25 -1.76 2.27 5.19 0.00 -1.09 -4.94 105.19 103.61 2eed n GLY 64 Ca -0.01 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 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 0.03 -3.51 -0.99 1.61 4.13 -1.26 0.72 115.26 115.99 2eed n ASN 65 Ca 0.00 0.24 -0.09 0.00 1.68 0.00 0.00 54.58 56.41 2eed n ASN 65 Cb 0.00 -3.09 -0.01 0.00 -1.54 0.00 0.00 39.78 35.14 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 -2.47 -0.69 -4.96 3.52 1.13 -1.26 -4.84 117.38 107.80 2eed n GLN 66 Ca -0.13 0.43 -0.29 0.00 -1.94 0.00 0.00 57.00 55.08 2eed n GLN 66 Cb 0.53 -4.42 -0.17 0.00 0.11 0.00 0.00 30.24 26.30 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 -4.39 2.43 -0.23 -1.09 -0.21 0.22 -1.66 119.66 114.73 2eed s GLN 67 Ca 0.00 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 54.69 2eed s GLN 67 Cb 0.00 -1.91 0.03 0.00 1.00 0.00 0.00 33.01 32.14 2eed s GLN 67 CO 0.00 0.14 -0.12 0.71 -2.12 0.00 0.00 175.29 173.91 2eed s TYR 68 N 0.40 3.04 -0.18 0.91 1.51 -1.10 -2.27 117.35 119.67 2eed s TYR 68 Ca -0.15 -1.82 -0.22 0.00 -1.01 0.00 0.00 57.07 53.86 2eed s TYR 68 Cb -0.16 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.69 2eed s TYR 68 CO 0.06 -0.80 0.69 1.21 -1.11 0.00 0.00 175.55 175.60 2eed s ASN 69 N 1.24 6.79 -0.12 2.29 3.04 0.77 -2.65 114.94 126.32 2eed s ASN 69 Ca -0.01 0.97 -0.02 0.00 0.04 0.00 0.00 52.86 53.83 2eed s ASN 69 Cb -0.17 -2.38 0.04 0.00 -1.54 0.00 0.00 41.25 37.20 2eed s ASN 69 CO -0.07 -0.29 0.01 -0.69 -3.04 0.00 0.00 177.10 173.02 2eed s VAL 70 N 1.85 0.47 0.07 -5.21 1.01 -1.10 -0.71 120.40 116.78 2eed s VAL 70 Ca 0.32 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.22 2eed s VAL 70 Cb -0.16 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2eed s VAL 70 CO 0.12 0.10 -0.19 -0.89 0.00 0.00 0.00 175.10 174.24 2eed s THR 71 N 1.91 1.54 0.27 3.92 2.01 -0.32 -2.25 115.64 122.73 2eed s THR 71 Ca 0.03 -1.30 0.04 0.00 0.31 0.00 0.00 61.69 60.77 2eed s THR 71 Cb -0.14 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2eed s THR 71 CO -0.06 0.04 0.21 -0.72 -0.69 0.00 0.00 174.62 173.40 2eed s TYR 72 N -0.98 1.50 -0.05 4.92 -0.85 -0.95 -0.11 117.35 120.84 2eed s TYR 72 Ca 0.05 -1.54 -0.02 0.00 -0.52 0.00 0.00 57.07 55.04 2eed s TYR 72 Cb -0.09 -0.65 0.03 0.00 0.38 0.00 0.00 41.96 41.63 2eed s TYR 72 CO 0.03 -0.77 0.11 0.08 -1.52 0.00 0.00 175.55 173.47 2eed s VAL 73 N -3.75 -0.05 0.30 -3.49 1.01 -1.23 -3.13 120.40 110.06 2eed s VAL 73 Ca 0.40 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.64 2eed s VAL 73 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 2eed s VAL 73 CO 0.21 0.07 0.15 0.68 0.00 0.00 0.00 175.10 176.21 2eed s VAL 74 N 1.05 3.53 -0.00 2.92 -7.23 -1.26 -0.18 120.40 119.22 2eed s VAL 74 Ca -0.08 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2eed s VAL 74 Cb -0.11 -3.08 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 2eed s VAL 74 CO -0.05 -0.26 0.01 0.29 -0.31 0.00 0.00 175.10 174.78 2eed n LYS 75 N -1.14 2.27 -4.26 4.82 4.76 -1.26 -3.03 118.16 120.33 2eed n LYS 75 Ca -0.05 -0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.15 2eed n LYS 75 Cb 0.60 -1.02 -0.07 0.00 -1.84 0.00 0.00 35.03 32.70 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 -2.03 2.39 0.30 1.97 2.56 -1.26 -4.88 118.70 117.74 2eed s GLU 76 Ca -0.00 -1.31 0.08 0.00 0.00 0.00 0.00 54.97 53.74 2eed s GLU 76 Cb 0.00 -2.25 -0.04 0.00 2.00 0.00 0.00 34.13 33.84 2eed s GLU 76 CO 0.03 0.39 0.12 -0.98 -0.56 0.00 0.00 175.26 174.26 2eed s ARG 77 N -3.53 2.49 0.00 4.30 3.03 -1.26 -4.79 118.95 119.18 2eed s ARG 77 Ca 0.31 -1.38 0.00 0.00 2.03 0.00 0.00 55.73 56.69 2eed s ARG 77 Cb -0.07 -2.28 0.00 0.00 -1.03 0.00 0.00 34.95 31.57 2eed s ARG 77 CO 0.20 0.25 0.00 0.41 -1.13 0.00 0.00 175.30 175.03 2eed n GLY 78 N -1.09 0.46 3.64 3.88 0.00 -0.67 -4.97 105.19 106.44 2eed n GLY 78 Ca -0.05 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 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 6.10 0.32 1.61 1.01 -1.26 -1.04 116.67 119.41 2eed s ASP 79 Ca 0.00 0.09 0.09 0.00 0.71 0.00 0.00 52.55 53.44 2eed s ASP 79 Cb 0.00 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.77 2eed s ASP 79 CO 0.00 0.03 0.04 -0.31 0.21 0.00 0.00 175.17 175.14 2eed s TYR 80 N 1.25 2.62 -0.23 4.23 1.51 0.97 -4.79 117.35 122.91 2eed s TYR 80 Ca 0.08 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 2eed s TYR 80 Cb -0.14 -1.44 0.07 0.00 -0.11 0.00 0.00 41.96 40.34 2eed s TYR 80 CO 0.06 0.48 0.04 0.08 -1.11 0.00 0.00 175.55 175.10 2eed s VAL 81 N -2.44 0.75 -0.22 0.71 1.01 -1.26 -2.74 120.40 116.20 2eed s VAL 81 Ca 0.35 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.28 2eed s VAL 81 Cb -0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2eed s VAL 81 CO 0.20 -0.30 0.61 -0.22 0.00 0.00 0.00 175.10 175.39 2eed s LEU 82 N 1.74 4.11 -0.33 3.92 2.96 -1.14 -3.66 118.68 126.28 2eed s LEU 82 Ca 0.01 0.75 -0.03 0.00 -0.22 0.00 0.00 54.13 54.63 2eed s LEU 82 Cb -0.17 -2.84 0.06 0.00 0.50 0.00 0.00 46.19 43.74 2eed s LEU 82 CO -0.12 -0.30 0.06 0.00 -1.32 0.00 0.00 176.35 174.68 2eed s ALA 83 N 2.11 2.93 -0.20 5.97 0.00 -1.26 -2.13 121.76 129.18 2eed s ALA 83 Ca 0.27 -1.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.29 2eed s ALA 83 Cb -0.16 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.87 2eed s ALA 83 CO 0.09 -1.39 -0.13 0.08 0.00 0.00 0.00 175.76 174.41 2eed s VAL 84 N 1.25 2.69 0.18 0.00 1.01 -1.26 -1.20 120.40 123.07 2eed s VAL 84 Ca -0.02 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.30 2eed s VAL 84 Cb -0.20 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2eed s VAL 84 CO -0.01 0.49 0.07 -0.54 0.00 0.00 0.00 175.10 175.11 2eed s LYS 85 N 1.34 2.65 -0.44 2.72 1.02 -1.20 -2.53 119.74 123.29 2eed s LYS 85 Ca 0.05 -1.03 0.02 0.00 0.02 0.00 0.00 55.97 55.03 2eed s LYS 85 Cb -0.14 -2.48 0.14 0.00 -0.52 0.00 0.00 37.83 34.83 2eed s LYS 85 CO -0.08 0.46 0.26 -0.46 -0.92 0.00 0.00 175.35 174.61 2eed s TRP 86 N -1.82 1.79 -0.71 3.18 -0.11 -0.07 -3.46 118.94 117.74 2eed s TRP 86 Ca 0.30 -2.35 -0.03 0.00 1.22 0.00 0.00 56.10 55.23 2eed s TRP 86 Cb -0.09 -1.68 0.00 0.00 -1.50 0.00 0.00 33.47 30.20 2eed s TRP 86 CO 0.21 -0.78 0.67 0.41 -4.62 0.00 0.00 176.95 172.84 2eed n GLY 87 N 3.43 -1.21 3.36 5.86 0.00 -0.62 -3.34 105.19 112.67 2eed n GLY 87 Ca 0.12 0.62 -0.20 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.73 -6.88 -3.85 1.61 1.02 -1.26 -4.96 120.64 104.59 2eed n GLU 88 Ca -0.06 0.77 -0.08 0.00 -0.02 0.00 0.00 57.16 57.77 2eed n GLU 88 Cb 0.55 -5.62 -0.00 0.00 -0.02 0.00 0.00 31.44 26.34 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 -5.83 2.01 -0.18 3.49 2.02 -1.21 -5.12 118.70 113.88 2eed s GLU 89 Ca 0.32 -1.26 -0.00 0.00 0.02 0.00 0.00 54.97 54.05 2eed s GLU 89 Cb -0.14 0.60 0.04 0.00 0.10 0.00 0.00 34.13 34.73 2eed s GLU 89 CO 0.67 -0.92 -0.07 -1.01 0.02 0.00 0.00 175.26 173.95 2eed s HIS 90 N -3.09 1.95 0.61 1.61 3.76 -1.26 -0.89 115.29 117.98 2eed s HIS 90 Ca 0.15 -1.26 -0.18 0.00 -0.15 0.00 0.00 55.06 53.62 2eed s HIS 90 Cb -0.05 -1.43 -0.08 0.00 1.11 0.00 0.00 32.58 32.13 2eed s HIS 90 CO 0.10 -0.66 0.42 0.44 -0.85 0.00 0.00 174.74 174.18 2eed n ILE 91 N 4.81 1.83 -2.04 0.60 -5.35 -1.05 -4.74 119.36 113.42 2eed n ILE 91 Ca -0.13 -0.47 -0.38 0.00 -0.27 0.00 0.00 62.75 61.50 2eed n ILE 91 Cb 0.47 -0.60 -0.03 0.00 -1.74 0.00 0.00 39.64 37.74 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 -2.13 2.62 0.00 6.28 0.04 -1.26 -2.74 135.00 137.81 2eed s PRO 92 Ca 0.66 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2eed s PRO 92 Cb -0.42 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.68 2eed s PRO 92 CO 0.57 -2.79 0.00 0.41 0.04 0.00 0.00 177.00 175.24 2eed n GLY 93 N 5.79 0.59 3.93 0.56 0.00 -1.26 -5.00 105.19 109.80 2eed n GLY 93 Ca 0.22 0.00 -0.28 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 6.36 0.10 1.61 0.15 -1.11 -3.13 113.70 117.68 2eed s SER 94 Ca 0.00 0.25 -0.31 0.00 0.70 0.00 0.00 55.95 56.59 2eed s SER 94 Cb 0.00 -1.95 -0.07 0.00 -1.71 0.00 0.00 66.02 62.29 2eed s SER 94 CO 0.00 0.09 1.37 -2.16 1.20 0.00 0.00 173.24 173.74 2eed s PRO 95 N -2.94 4.33 0.49 5.44 0.04 -1.26 -4.95 135.00 136.15 2eed s PRO 95 Ca 0.35 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 63.23 2eed s PRO 95 Cb -0.12 -3.29 -0.08 0.00 0.04 0.00 0.00 34.50 31.05 2eed s PRO 95 CO 0.28 -0.43 1.02 -0.06 0.04 0.00 0.00 177.00 177.85 2eed s PHE 96 N 1.24 3.10 -0.53 0.56 0.08 -0.91 -4.89 117.98 116.63 2eed s PHE 96 Ca 0.64 1.56 -0.14 0.00 0.12 0.00 0.00 56.93 59.12 2eed s PHE 96 Cb -0.36 -2.99 0.13 0.00 -0.57 0.00 0.00 43.02 39.24 2eed s PHE 96 CO 0.30 -0.68 0.46 -1.58 -0.10 0.00 0.00 175.22 173.63 2eed s HIS 97 N -2.15 3.33 -0.27 0.36 5.65 -1.26 -2.86 115.29 118.09 2eed s HIS 97 Ca 0.65 -1.52 -0.11 0.00 0.25 0.00 0.00 55.06 54.33 2eed s HIS 97 Cb -0.14 -3.70 -0.05 0.00 -1.18 0.00 0.00 32.58 27.51 2eed s HIS 97 CO 0.22 -1.01 0.18 0.08 -0.65 0.00 0.00 174.74 173.56 2eed s VAL 98 N 1.44 5.27 -0.20 0.89 1.01 -1.11 -4.72 120.40 122.98 2eed s VAL 98 Ca 0.05 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 2eed s VAL 98 Cb -0.28 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2eed s VAL 98 CO 0.01 0.28 -0.02 -0.89 0.00 0.00 0.00 175.10 174.48 2eed s THR 99 N 1.59 3.75 -0.19 3.92 2.01 -1.25 -0.02 115.64 125.44 2eed s THR 99 Ca 0.07 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 2eed s THR 99 Cb -0.15 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 2eed s THR 99 CO 0.09 0.44 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.75 2eed s VAL 100 N 1.00 3.75 -2.00 3.82 1.01 -0.20 -3.19 120.40 124.58 2eed s VAL 100 Ca 0.01 -0.39 0.16 0.00 0.00 0.00 0.00 61.98 61.76 2eed s VAL 100 Cb -0.14 -2.68 0.45 0.00 0.00 0.00 0.00 36.38 34.00 2eed s VAL 100 CO 0.01 0.45 1.35 -0.81 0.00 0.00 0.00 175.10 176.09