#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 -0.42 -6.39 1.61 0.02 -2.08 -3.46 113.55 102.83 2eed h SER 2 Ca 0.00 0.02 -0.49 0.00 -0.84 0.00 0.00 61.79 60.48 2eed h SER 2 Cb 0.00 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 2eed h SER 2 CO 0.00 -0.28 -0.80 -0.24 -1.14 0.00 0.00 176.83 174.37 2eed n SER 3 N -5.30 -3.53 -4.39 3.07 2.88 -1.26 -4.89 113.62 100.19 2eed n SER 3 Ca -0.10 -0.86 -0.45 0.00 -1.33 0.00 0.00 58.87 56.13 2eed n SER 3 Cb 0.21 -3.57 -0.02 0.00 -0.75 0.00 0.00 64.21 60.08 2eed n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eed s GLY 4 N -3.56 2.29 -0.21 0.46 0.00 -1.26 -4.81 107.32 100.23 2eed s GLY 4 Ca 0.53 -3.04 -0.19 0.00 0.00 0.00 0.00 44.72 42.01 2eed s GLY 4 CO 0.86 1.65 0.14 -1.26 0.00 0.00 0.00 173.10 174.49 2eed n SER 5 N 5.29 1.89 -0.34 1.64 2.88 -1.26 -4.32 113.62 119.40 2eed n SER 5 Ca 0.19 0.39 0.12 0.00 -1.33 0.00 0.00 58.87 58.24 2eed n SER 5 Cb 0.48 -0.94 0.24 0.00 -0.75 0.00 0.00 64.21 63.25 2eed n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eed n SER 6 N -4.33 -0.18 0.00 -3.46 7.64 -1.26 -4.85 113.62 107.18 2eed n SER 6 Ca -0.35 1.66 0.00 0.00 1.01 0.00 0.00 58.87 61.19 2eed n SER 6 Cb 0.74 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2eed n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eed n GLY 7 N -1.52 -1.89 3.96 0.23 0.00 -1.26 -5.02 105.19 99.69 2eed n GLY 7 Ca 0.21 0.69 -0.31 0.00 0.00 0.00 0.00 46.02 46.61 2eed n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eed n SER 8 N 0.00 -4.55 -4.22 1.61 7.64 -1.26 -4.80 113.62 108.04 2eed n SER 8 Ca 0.00 -0.81 -0.49 0.00 1.01 0.00 0.00 58.87 58.57 2eed n SER 8 Cb 0.00 -3.72 -0.05 0.00 -1.01 0.00 0.00 64.21 59.43 2eed n SER 8 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2eed n SER 9 N -2.81 -0.77 -4.56 6.43 7.64 -1.26 -4.95 113.62 113.34 2eed n SER 9 Ca 0.04 1.09 -0.32 0.00 1.01 0.00 0.00 58.87 60.69 2eed n SER 9 Cb 0.52 -0.89 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 2eed n SER 9 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2eed s ASP 10 N -0.61 4.39 -0.12 6.43 2.15 -0.22 -4.97 116.67 123.72 2eed s ASP 10 Ca 0.70 -0.23 -0.11 0.00 0.43 0.00 0.00 52.55 53.34 2eed s ASP 10 Cb -1.00 -0.94 -0.26 0.00 -0.30 0.00 0.00 42.92 40.42 2eed s ASP 10 CO 0.54 0.27 0.40 0.00 -0.17 0.00 0.00 175.17 176.21 2eed h ALA 11 N 4.49 0.34 -0.72 3.66 0.00 -1.86 -3.34 119.26 121.83 2eed h ALA 11 Ca -0.48 -1.30 0.21 0.00 0.00 0.00 0.00 54.91 53.34 2eed h ALA 11 Cb 1.16 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 2eed h ALA 11 CO 0.52 1.13 0.75 1.03 0.00 0.00 0.00 179.25 182.68 2eed h SER 12 N -0.13 0.00 0.26 0.00 0.87 -1.94 0.49 113.55 113.10 2eed h SER 12 Ca -0.39 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 59.83 2eed h SER 12 Cb 1.90 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 63.90 2eed h SER 12 CO 0.05 0.00 -1.50 0.11 -0.53 0.00 0.00 176.83 174.96 2eed h LYS 13 N 0.00 0.54 -6.55 2.24 1.79 -1.88 -3.44 116.57 109.28 2eed h LYS 13 Ca 0.34 -0.93 -0.58 0.00 -2.18 0.00 0.00 60.65 57.31 2eed h LYS 13 Cb 1.83 0.34 0.07 0.00 -1.58 0.00 0.00 32.23 32.89 2eed h LYS 13 CO -0.00 1.44 0.76 0.28 -1.08 0.00 0.00 179.45 180.85 2eed n VAL 14 N -3.71 0.31 -4.40 0.50 0.31 0.17 -4.82 118.33 106.68 2eed n VAL 14 Ca -0.17 -0.08 -0.24 0.00 -0.01 0.00 0.00 64.34 63.84 2eed n VAL 14 Cb 1.11 -1.55 -0.11 0.00 -0.91 0.00 0.00 33.84 32.38 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 0.60 2.17 -0.01 2.52 -4.23 -1.15 -4.52 115.64 111.02 2eed s THR 15 Ca 0.75 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 2eed s THR 15 Cb -0.66 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.10 2eed s THR 15 CO 0.41 -0.32 -0.02 -0.94 -0.54 0.00 0.00 174.62 173.22 2eed s SER 16 N -3.02 0.37 0.14 3.99 1.04 -1.26 -1.52 113.70 113.43 2eed s SER 16 Ca 0.23 -0.04 0.07 0.00 0.48 0.00 0.00 55.95 56.68 2eed s SER 16 Cb -0.05 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 2eed s SER 16 CO 0.10 -0.02 -0.15 -1.59 0.98 0.00 0.00 173.24 172.57 2eed s LYS 17 N 0.35 1.11 0.00 4.02 -2.85 -0.69 -5.01 119.74 116.66 2eed s LYS 17 Ca -0.03 -1.31 0.00 0.00 -1.00 0.00 0.00 55.97 53.63 2eed s LYS 17 Cb -0.06 -1.01 0.00 0.00 -2.06 0.00 0.00 37.83 34.70 2eed s LYS 17 CO -0.01 0.19 0.00 0.41 0.10 0.00 0.00 175.35 176.05 2eed n GLY 18 N 0.39 2.38 0.12 0.59 0.00 -1.26 -2.06 105.19 105.34 2eed n GLY 18 Ca -0.14 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.29 4.61 0.00 -1.88 -3.34 119.26 117.45 2eed h ALA 19 Ca 0.00 -0.95 0.37 0.00 0.00 0.00 0.00 54.91 54.33 2eed h ALA 19 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2eed h ALA 19 CO 0.00 0.65 0.91 0.78 0.00 0.00 0.00 179.25 181.59 2eed h GLY 20 N -0.16 0.27 1.84 0.00 0.00 -1.64 0.99 103.07 104.36 2eed h GLY 20 Ca -0.25 -0.04 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 2eed h GLY 20 CO 0.07 -0.05 -0.75 1.41 0.00 0.00 0.00 176.54 177.22 2eed h LEU 21 N 0.06 0.18 0.00 3.11 3.38 -1.84 -3.36 115.31 116.85 2eed h LEU 21 Ca 0.64 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.44 2eed h LEU 21 Cb 2.39 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 43.08 2eed h LEU 21 CO -0.08 0.87 -0.45 -1.28 0.09 0.00 0.00 178.44 177.59 2eed h SER 22 N 0.10 0.00 -5.00 -0.43 0.87 0.64 -3.43 113.55 106.30 2eed h SER 22 Ca -0.02 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.27 2eed h SER 22 Cb 1.32 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 63.10 2eed h SER 22 CO 0.11 0.83 -0.02 -1.59 -0.53 0.00 0.00 176.83 175.64 2eed s LYS 23 N -2.07 0.91 0.35 2.24 -2.85 0.12 -3.90 119.74 114.54 2eed s LYS 23 Ca -0.13 -0.02 0.09 0.00 -1.00 0.00 0.00 55.97 54.91 2eed s LYS 23 Cb 0.02 0.42 -0.06 0.00 -2.06 0.00 0.00 37.83 36.14 2eed s LYS 23 CO 0.27 -0.28 -0.06 0.00 0.10 0.00 0.00 175.35 175.38 2eed s ALA 24 N -1.53 3.05 -0.14 0.59 0.00 -1.21 -3.74 121.76 118.78 2eed s ALA 24 Ca -0.11 -2.06 -0.02 0.00 0.00 0.00 0.00 51.96 49.78 2eed s ALA 24 Cb -0.02 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.99 2eed s ALA 24 CO 0.05 0.07 0.02 -0.06 0.00 0.00 0.00 175.76 175.85 2eed s PHE 25 N -2.58 0.79 -0.01 0.00 0.08 -1.26 -3.99 117.98 111.00 2eed s PHE 25 Ca 0.33 -0.49 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 2eed s PHE 25 Cb 0.02 -0.89 -0.15 0.00 -0.57 0.00 0.00 43.02 41.43 2eed s PHE 25 CO 0.17 -0.47 0.80 0.28 -0.10 0.00 0.00 175.22 175.90 2eed n VAL 26 N 5.11 0.00 0.00 -0.44 0.31 -1.26 0.23 118.33 122.28 2eed n VAL 26 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2eed n VAL 26 Cb 0.49 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 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 1.14 1.89 3.75 2.92 0.00 -0.34 -4.97 105.19 109.58 2eed n GLY 27 Ca 0.15 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 4.15 -0.44 1.61 -0.21 0.13 -4.87 119.66 120.03 2eed s GLN 28 Ca 0.00 2.53 -0.29 0.00 0.02 0.00 0.00 55.36 57.62 2eed s GLN 28 Cb 0.00 -3.03 0.03 0.00 1.00 0.00 0.00 33.01 31.00 2eed s GLN 28 CO 0.00 -0.58 1.12 0.21 -2.12 0.00 0.00 175.29 173.91 2eed s LYS 29 N -0.66 3.79 -0.22 2.91 2.20 -1.26 -4.57 119.74 121.93 2eed s LYS 29 Ca 0.61 0.66 -0.15 0.00 -0.36 0.00 0.00 55.97 56.72 2eed s LYS 29 Cb -0.47 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 31.94 2eed s LYS 29 CO 0.49 -1.28 0.39 -1.12 -0.36 0.00 0.00 175.35 173.47 2eed s SER 30 N 2.28 6.39 0.22 1.43 0.01 -1.15 -4.98 113.70 117.90 2eed s SER 30 Ca 0.47 0.46 0.10 0.00 1.31 0.00 0.00 55.95 58.28 2eed s SER 30 Cb -0.08 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 2eed s SER 30 CO 0.28 -0.10 -0.18 -0.94 0.41 0.00 0.00 173.24 172.71 2eed s SER 31 N 1.17 3.01 -0.25 2.44 1.04 -1.26 -1.91 113.70 117.93 2eed s SER 31 Ca 0.18 -0.98 -0.20 0.00 0.48 0.00 0.00 55.95 55.43 2eed s SER 31 Cb -0.15 -0.21 0.07 0.00 0.10 0.00 0.00 66.02 65.84 2eed s SER 31 CO 0.08 -0.05 0.66 0.72 0.98 0.00 0.00 173.24 175.63 2eed s PHE 32 N -2.50 -0.83 0.10 5.02 -0.71 -0.21 -3.67 117.98 115.19 2eed s PHE 32 Ca 0.23 1.87 0.03 0.00 -1.04 0.00 0.00 56.93 58.02 2eed s PHE 32 Cb -0.04 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 2eed s PHE 32 CO 0.10 -0.41 0.12 -1.17 -1.34 0.00 0.00 175.22 172.52 2eed s LEU 33 N 0.83 3.88 -0.14 -1.99 2.96 -0.88 -1.85 118.68 121.49 2eed s LEU 33 Ca -0.04 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2eed s LEU 33 Cb -0.05 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.13 2eed s LEU 33 CO -0.07 0.14 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.26 2eed s VAL 34 N -1.51 1.62 -0.35 1.68 1.01 -0.91 -1.70 120.40 120.24 2eed s VAL 34 Ca 0.30 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 2eed s VAL 34 Cb -0.12 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 2eed s VAL 34 CO 0.23 0.47 0.58 -0.62 0.00 0.00 0.00 175.10 175.76 2eed s ASP 35 N 1.30 6.39 -0.30 3.32 2.15 -0.58 -2.26 116.67 126.69 2eed s ASP 35 Ca 0.01 0.10 0.07 0.00 0.43 0.00 0.00 52.55 53.17 2eed s ASP 35 Cb -0.14 -2.30 0.45 0.00 -0.30 0.00 0.00 42.92 40.64 2eed s ASP 35 CO -0.08 -0.54 1.28 0.00 -0.17 0.00 0.00 175.17 175.67 2eed h SER 37 N 1.80 0.76 -0.62 0.00 4.64 -1.87 -3.24 113.55 115.01 2eed h SER 37 Ca 0.29 -0.41 -0.44 0.00 -0.47 0.00 0.00 61.79 60.76 2eed h SER 37 Cb 1.38 -0.21 -0.30 0.00 -0.31 0.00 0.00 62.40 62.96 2eed h SER 37 CO 0.62 1.00 -0.42 0.29 -0.87 0.00 0.00 176.83 177.45 2eed n LYS 38 N -4.31 2.93 -0.03 4.77 4.76 -1.26 -4.69 118.16 120.32 2eed n LYS 38 Ca -0.02 -3.77 -0.08 0.00 -2.87 0.00 0.00 58.31 51.56 2eed n LYS 38 Cb 0.41 -2.12 -0.03 0.00 -1.84 0.00 0.00 35.03 31.45 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 -0.86 2.08 0.00 7.82 0.00 -1.22 -4.75 120.51 123.57 2eed n ALA 39 Ca 0.42 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2eed n ALA 39 Cb 0.90 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.57 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 2.42 0.66 2.01 0.00 0.00 -1.25 -1.06 105.19 107.97 2eed n GLY 40 Ca -0.14 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 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 5.21 -4.52 1.61 7.64 -1.26 -4.91 113.62 117.38 2eed n SER 41 Ca 0.00 -3.31 -0.25 0.00 1.01 0.00 0.00 58.87 56.32 2eed n SER 41 Cb 0.00 -0.88 0.13 0.00 -1.01 0.00 0.00 64.21 62.46 2eed n SER 41 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2eed s ASN 42 N -0.78 3.97 0.25 6.43 -0.87 -1.26 -5.09 114.94 117.59 2eed s ASN 42 Ca 0.45 -0.39 0.04 0.00 -1.57 0.00 0.00 52.86 51.39 2eed s ASN 42 Cb 0.37 0.17 -0.03 0.00 -0.02 0.00 0.00 41.25 41.74 2eed s ASN 42 CO 0.04 -2.13 0.38 0.00 -2.57 0.00 0.00 177.10 172.82 2eed s MET 43 N -5.31 3.45 -0.17 -0.60 0.23 -1.26 -4.96 119.30 110.68 2eed s MET 43 Ca 0.69 -0.66 -0.00 0.00 -1.03 0.00 0.00 55.69 54.69 2eed s MET 43 Cb -0.04 -2.86 0.00 0.00 -1.53 0.00 0.00 34.83 30.41 2eed s MET 43 CO 0.47 0.39 -0.14 -1.17 -2.03 0.00 0.00 175.02 172.54 2eed s LEU 44 N -3.93 2.47 0.27 0.18 2.96 -1.26 -2.52 118.68 116.85 2eed s LEU 44 Ca 0.35 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2eed s LEU 44 Cb -0.09 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 2eed s LEU 44 CO 0.30 0.05 0.09 -1.48 -1.32 0.00 0.00 176.35 173.98 2eed s LEU 45 N 1.04 1.77 0.07 -0.68 -0.00 -1.23 -5.07 118.68 114.58 2eed s LEU 45 Ca -0.01 -1.38 0.04 0.00 -0.00 0.00 0.00 54.13 52.78 2eed s LEU 45 Cb -0.15 -0.08 -0.03 0.00 -0.00 0.00 0.00 46.19 45.94 2eed s LEU 45 CO -0.04 -0.70 -0.12 -0.63 -0.00 0.00 0.00 176.35 174.87 2eed s ILE 46 N -3.64 0.92 -0.42 1.48 -1.09 -1.26 -3.27 121.20 113.92 2eed s ILE 46 Ca 0.37 -1.30 0.10 0.00 -2.23 0.00 0.00 60.65 57.60 2eed s ILE 46 Cb 0.08 -0.99 0.40 0.00 -1.58 0.00 0.00 42.46 40.37 2eed s ILE 46 CO 0.14 -0.32 0.94 0.61 -1.23 0.00 0.00 174.94 175.08 2eed n GLY 47 N 1.21 4.12 3.53 6.18 0.00 -0.84 -5.01 105.19 114.37 2eed n GLY 47 Ca -0.21 -2.11 -0.51 0.00 0.00 0.00 0.00 46.02 43.19 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 -0.14 0.84 -1.38 1.61 0.24 -1.26 -4.52 118.33 113.72 2eed n VAL 48 Ca 0.26 -0.21 -0.31 0.00 -2.04 0.00 0.00 64.34 62.03 2eed n VAL 48 Cb 0.65 -0.49 0.08 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.26 2.70 -0.41 6.34 -3.43 -1.26 -5.01 115.29 113.96 2eed s HIS 49 Ca 0.76 1.53 0.09 0.00 -0.80 0.00 0.00 55.06 56.64 2eed s HIS 49 Cb -0.97 -3.02 0.36 0.00 -1.43 0.00 0.00 32.58 27.52 2eed s HIS 49 CO 0.54 -1.66 1.17 0.41 -2.00 0.00 0.00 174.74 173.20 2eed n GLY 50 N -1.30 1.25 0.12 -1.38 0.00 -1.26 -4.50 105.19 98.12 2eed n GLY 50 Ca 0.09 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 2.58 0.27 0.00 1.61 0.13 -2.00 -3.45 132.00 131.15 2eed h PRO 51 Ca -0.16 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2eed h PRO 51 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2eed h PRO 51 CO 0.11 0.68 0.00 0.25 -0.23 0.00 0.00 178.00 178.81 2eed n THR 52 N -4.63 0.61 -3.86 1.56 -2.24 -1.26 -5.01 114.28 99.45 2eed n THR 52 Ca -0.07 0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.58 2eed n THR 52 Cb 0.33 -1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 67.39 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 -1.90 2.97 0.49 4.28 -4.23 -1.26 -5.10 115.64 110.89 2eed s THR 53 Ca 0.00 -2.51 -0.08 0.00 -1.18 0.00 0.00 61.69 57.92 2eed s THR 53 Cb 0.00 -3.05 0.12 0.00 1.34 0.00 0.00 72.50 70.91 2eed s THR 53 CO 0.00 -0.72 0.43 -0.81 -0.54 0.00 0.00 174.62 172.99 2eed n PRO 54 N 4.05 -1.87 -3.28 3.99 -0.04 -1.26 -4.89 135.00 131.71 2eed n PRO 54 Ca 0.03 -0.69 -0.29 0.00 -0.04 0.00 0.00 63.50 62.50 2eed n PRO 54 Cb 0.39 -0.65 -0.03 0.00 -0.04 0.00 0.00 33.50 33.17 2eed n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eed h GLU 56 N 1.66 0.66 -1.88 0.00 4.22 -1.42 -3.47 114.58 114.34 2eed h GLU 56 Ca -0.48 -0.09 0.25 0.00 0.08 0.00 0.00 59.36 59.12 2eed h GLU 56 Cb 1.19 -0.12 -0.11 0.00 0.50 0.00 0.00 28.75 30.21 2eed h GLU 56 CO 0.66 0.54 0.66 -1.83 -2.18 0.00 0.00 179.01 176.86 2eed s GLU 57 N -5.78 0.76 -0.18 1.92 -1.05 -1.26 -4.99 118.70 108.11 2eed s GLU 57 Ca -0.13 -0.41 -0.04 0.00 -0.15 0.00 0.00 54.97 54.25 2eed s GLU 57 Cb 0.11 0.27 0.06 0.00 -0.44 0.00 0.00 34.13 34.13 2eed s GLU 57 CO 0.75 -0.35 0.06 0.08 0.95 0.00 0.00 175.26 176.76 2eed s VAL 58 N -2.83 0.24 -0.49 1.83 1.01 -1.26 -3.66 120.40 115.23 2eed s VAL 58 Ca 0.13 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2eed s VAL 58 Cb 0.02 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.65 2eed s VAL 58 CO -0.02 -0.25 0.48 -0.55 0.00 0.00 0.00 175.10 174.76 2eed s SER 59 N 1.99 6.17 -0.23 3.32 0.15 0.02 -4.95 113.70 120.17 2eed s SER 59 Ca 0.01 -1.26 -0.03 0.00 0.70 0.00 0.00 55.95 55.37 2eed s SER 59 Cb -0.17 -2.22 0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2eed s SER 59 CO -0.09 -0.75 -0.06 -0.04 1.20 0.00 0.00 173.24 173.50 2eed s MET 60 N 1.95 3.16 0.04 5.44 -1.94 -1.26 -1.67 119.30 125.03 2eed s MET 60 Ca 0.07 -0.76 -0.00 0.00 -1.71 0.00 0.00 55.69 53.29 2eed s MET 60 Cb -0.23 -2.97 -0.03 0.00 2.01 0.00 0.00 34.83 33.61 2eed s MET 60 CO 0.08 -0.27 -0.04 0.15 -0.01 0.00 0.00 175.02 174.93 2eed s LYS 61 N 1.41 0.53 -0.96 2.03 -0.14 -0.05 -4.99 119.74 117.57 2eed s LYS 61 Ca 0.04 -1.01 -0.08 0.00 -1.36 0.00 0.00 55.97 53.57 2eed s LYS 61 Cb -0.15 0.11 0.24 0.00 -1.68 0.00 0.00 37.83 36.35 2eed s LYS 61 CO -0.05 -0.07 0.91 -1.58 -0.76 0.00 0.00 175.35 173.80 2eed s HIS 62 N -2.94 4.01 0.59 3.18 5.65 -1.26 0.49 115.29 125.01 2eed s HIS 62 Ca -0.01 -2.64 0.30 0.00 0.25 0.00 0.00 55.06 52.96 2eed s HIS 62 Cb 0.01 -3.64 1.37 0.00 -1.18 0.00 0.00 32.58 29.14 2eed s HIS 62 CO -0.06 -0.90 1.75 -0.39 -0.65 0.00 0.00 174.74 174.50 2eed h VAL 63 N 4.11 0.28 0.00 0.89 -1.51 -1.84 -3.47 116.25 114.71 2eed h VAL 63 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.61 2eed h VAL 63 Cb 0.90 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2eed h VAL 63 CO 0.90 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.85 2eed n GLY 64 N -1.59 0.28 3.08 5.19 0.00 -1.18 -4.98 105.19 105.99 2eed n GLY 64 Ca 0.14 -2.30 -0.21 0.00 0.00 0.00 0.00 46.02 43.64 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 -4.62 -1.62 1.61 2.85 -1.26 0.05 115.26 112.27 2eed n ASN 65 Ca 0.00 -0.25 -0.16 0.00 -0.11 0.00 0.00 54.58 54.06 2eed n ASN 65 Cb 0.00 -3.80 -0.03 0.00 1.24 0.00 0.00 39.78 37.19 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2eed n GLN 66 N -3.67 -1.22 -4.45 1.20 3.00 -1.26 -4.79 117.38 106.20 2eed n GLN 66 Ca -0.08 0.87 -0.34 0.00 -0.01 0.00 0.00 57.00 57.45 2eed n GLN 66 Cb 0.58 -5.18 -0.13 0.00 0.00 0.00 0.00 30.24 25.51 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 -4.32 3.54 -0.25 -1.09 -0.21 0.11 -1.29 119.66 116.16 2eed s GLN 67 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 54.76 2eed s GLN 67 Cb 0.00 -2.84 0.01 0.00 1.00 0.00 0.00 33.01 31.18 2eed s GLN 67 CO 0.00 0.17 -0.03 0.71 -2.12 0.00 0.00 175.29 174.02 2eed s TYR 68 N 0.52 3.05 -0.27 0.91 2.02 -0.96 -2.32 117.35 120.30 2eed s TYR 68 Ca -0.05 -1.29 -0.22 0.00 -0.37 0.00 0.00 57.07 55.14 2eed s TYR 68 Cb -0.15 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 2eed s TYR 68 CO 0.03 -0.66 0.71 1.21 -1.57 0.00 0.00 175.55 175.27 2eed s ASN 69 N 1.40 6.64 -0.13 2.29 3.04 0.18 -2.13 114.94 126.23 2eed s ASN 69 Ca 0.02 0.73 -0.00 0.00 0.04 0.00 0.00 52.86 53.65 2eed s ASN 69 Cb -0.16 -2.37 0.03 0.00 -1.54 0.00 0.00 41.25 37.20 2eed s ASN 69 CO -0.03 -0.47 -0.09 -0.69 -3.04 0.00 0.00 177.10 172.78 2eed s VAL 70 N 2.69 1.16 0.07 -5.21 1.01 -0.77 -0.87 120.40 118.48 2eed s VAL 70 Ca 0.29 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.92 2eed s VAL 70 Cb -0.15 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2eed s VAL 70 CO 0.10 0.36 -0.15 -0.89 0.00 0.00 0.00 175.10 174.51 2eed s THR 71 N 1.65 1.20 0.28 3.92 2.01 -0.67 -1.04 115.64 122.99 2eed s THR 71 Ca 0.04 -1.28 -0.04 0.00 0.31 0.00 0.00 61.69 60.73 2eed s THR 71 Cb -0.13 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 2eed s THR 71 CO -0.09 -0.16 0.37 -0.72 -0.69 0.00 0.00 174.62 173.34 2eed s TYR 72 N -1.18 0.99 -0.00 4.92 -0.85 -0.80 -0.80 117.35 119.63 2eed s TYR 72 Ca -0.00 -1.22 0.00 0.00 -0.52 0.00 0.00 57.07 55.34 2eed s TYR 72 Cb -0.10 -0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.04 2eed s TYR 72 CO 0.02 -0.95 -0.01 0.08 -1.52 0.00 0.00 175.55 173.17 2eed s VAL 73 N -3.61 0.10 0.00 -3.49 1.01 -1.24 -2.92 120.40 110.26 2eed s VAL 73 Ca 0.32 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.30 2eed s VAL 73 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 2eed s VAL 73 CO 0.16 0.04 -0.13 0.68 0.00 0.00 0.00 175.10 175.85 2eed s VAL 74 N 0.05 1.06 -1.30 2.92 -7.23 -1.26 -0.89 120.40 113.74 2eed s VAL 74 Ca -0.00 -0.67 0.17 0.00 -1.81 0.00 0.00 61.98 59.67 2eed s VAL 74 Cb -0.01 -0.90 -0.07 0.00 0.56 0.00 0.00 36.38 35.95 2eed s VAL 74 CO -0.00 0.22 0.83 0.29 -0.31 0.00 0.00 175.10 176.13 2eed n LYS 75 N 2.54 1.53 -4.23 4.82 4.01 -1.26 -1.20 118.16 124.37 2eed n LYS 75 Ca -0.15 -0.52 -0.24 0.00 -0.51 0.00 0.00 58.31 56.89 2eed n LYS 75 Cb 0.55 -1.31 -0.07 0.00 -0.51 0.00 0.00 35.03 33.69 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 -2.25 2.25 0.48 1.97 2.56 -1.26 -4.86 118.70 117.58 2eed s GLU 76 Ca 0.11 -1.58 0.03 0.00 0.00 0.00 0.00 54.97 53.53 2eed s GLU 76 Cb 0.14 -2.08 -0.03 0.00 2.00 0.00 0.00 34.13 34.15 2eed s GLU 76 CO 0.54 0.19 0.01 -0.98 -0.56 0.00 0.00 175.26 174.46 2eed s ARG 77 N -3.75 2.11 0.00 4.30 1.70 -1.26 -4.54 118.95 117.50 2eed s ARG 77 Ca 0.35 -2.31 0.00 0.00 -0.47 0.00 0.00 55.73 53.30 2eed s ARG 77 Cb -0.03 -1.47 0.00 0.00 -0.57 0.00 0.00 34.95 32.89 2eed s ARG 77 CO 0.21 -0.30 0.00 0.41 -1.08 0.00 0.00 175.30 174.54 2eed n GLY 78 N -1.16 -0.20 3.67 3.88 0.00 0.11 -4.91 105.19 106.57 2eed n GLY 78 Ca -0.15 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 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 7.13 0.29 1.61 -4.77 -1.26 -0.38 116.67 115.28 2eed s ASP 79 Ca 0.00 1.40 0.09 0.00 -3.30 0.00 0.00 52.55 50.74 2eed s ASP 79 Cb 0.00 -2.53 -0.04 0.00 -1.09 0.00 0.00 42.92 39.26 2eed s ASP 79 CO 0.00 -0.55 0.10 -0.31 0.70 0.00 0.00 175.17 175.11 2eed s TYR 80 N 2.60 2.81 -0.26 2.11 1.51 0.15 -5.00 117.35 121.26 2eed s TYR 80 Ca 0.45 -0.24 0.01 0.00 -1.01 0.00 0.00 57.07 56.27 2eed s TYR 80 Cb -0.16 -1.39 0.07 0.00 -0.11 0.00 0.00 41.96 40.37 2eed s TYR 80 CO 0.11 0.50 -0.00 0.08 -1.11 0.00 0.00 175.55 175.14 2eed s VAL 81 N -2.30 1.44 -0.32 0.71 1.01 -1.26 -2.82 120.40 116.86 2eed s VAL 81 Ca 0.34 -1.38 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 2eed s VAL 81 Cb -0.06 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2eed s VAL 81 CO 0.22 -0.30 0.41 -0.22 0.00 0.00 0.00 175.10 175.21 2eed s LEU 82 N 1.40 4.27 -0.27 3.92 2.96 -1.04 -4.12 118.68 125.79 2eed s LEU 82 Ca 0.00 0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.86 2eed s LEU 82 Cb -0.18 -2.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 2eed s LEU 82 CO -0.10 -0.33 0.09 0.00 -1.32 0.00 0.00 176.35 174.69 2eed s ALA 83 N 2.15 3.15 -0.09 5.97 0.00 -1.26 -1.78 121.76 129.90 2eed s ALA 83 Ca 0.15 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.87 2eed s ALA 83 Cb -0.16 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.82 2eed s ALA 83 CO 0.11 -0.69 -0.17 0.08 0.00 0.00 0.00 175.76 175.10 2eed s VAL 84 N 1.58 1.55 0.19 0.00 1.01 -1.26 -1.99 120.40 121.47 2eed s VAL 84 Ca 0.05 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.43 2eed s VAL 84 Cb -0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2eed s VAL 84 CO 0.04 0.45 -0.21 -0.54 0.00 0.00 0.00 175.10 174.83 2eed s LYS 85 N 0.61 1.62 -0.44 2.72 1.02 -1.20 -3.14 119.74 120.93 2eed s LYS 85 Ca -0.15 -1.47 0.02 0.00 0.02 0.00 0.00 55.97 54.39 2eed s LYS 85 Cb -0.16 -1.91 0.14 0.00 -0.52 0.00 0.00 37.83 35.38 2eed s LYS 85 CO 0.05 0.41 0.25 -0.46 -0.92 0.00 0.00 175.35 174.67 2eed s TRP 86 N -1.67 1.93 -0.61 3.18 -0.11 -0.60 -3.57 118.94 117.50 2eed s TRP 86 Ca 0.21 -2.41 -0.11 0.00 1.22 0.00 0.00 56.10 55.01 2eed s TRP 86 Cb -0.08 -1.83 0.02 0.00 -1.50 0.00 0.00 33.47 30.08 2eed s TRP 86 CO 0.11 -0.78 0.65 0.41 -4.62 0.00 0.00 176.95 172.72 2eed n GLY 87 N 3.49 -1.06 3.55 5.86 0.00 -1.05 -3.42 105.19 112.57 2eed n GLY 87 Ca 0.10 0.87 -0.20 0.00 0.00 0.00 0.00 46.02 46.78 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 -1.18 -6.49 -3.62 1.61 1.02 -1.26 -4.97 120.64 105.76 2eed n GLU 88 Ca -0.03 0.78 -0.06 0.00 -0.02 0.00 0.00 57.16 57.83 2eed n GLU 88 Cb 0.55 -5.71 0.02 0.00 -0.02 0.00 0.00 31.44 26.29 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 -4.38 0.90 -3.79 3.49 1.02 -1.22 -5.12 120.64 111.55 2eed n GLU 89 Ca -0.21 -1.84 -0.26 0.00 -0.02 0.00 0.00 57.16 54.83 2eed n GLU 89 Cb 0.64 2.34 -0.17 0.00 -0.02 0.00 0.00 31.44 34.23 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 -2.56 1.11 0.63 -0.32 3.76 -1.26 -1.56 115.29 115.09 2eed s HIS 90 Ca 0.17 -0.71 -0.17 0.00 -0.15 0.00 0.00 55.06 54.19 2eed s HIS 90 Cb -0.04 -1.04 -0.07 0.00 1.11 0.00 0.00 32.58 32.54 2eed s HIS 90 CO 0.09 -0.53 0.58 0.44 -0.85 0.00 0.00 174.74 174.47 2eed n ILE 91 N 5.03 2.31 -2.04 0.60 -5.35 -1.19 -4.73 119.36 113.99 2eed n ILE 91 Ca -0.09 -0.47 -0.37 0.00 -0.27 0.00 0.00 62.75 61.56 2eed n ILE 91 Cb 0.48 -0.76 -0.03 0.00 -1.74 0.00 0.00 39.64 37.59 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 -2.41 2.61 0.00 6.28 0.04 -1.26 -2.78 135.00 137.48 2eed s PRO 92 Ca 0.69 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2eed s PRO 92 Cb -0.41 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.64 2eed s PRO 92 CO 0.54 -2.84 0.00 0.41 0.04 0.00 0.00 177.00 175.15 2eed n GLY 93 N 5.89 0.35 3.81 0.56 0.00 -1.26 -5.00 105.19 109.53 2eed n GLY 93 Ca 0.24 0.00 -0.30 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 5.70 0.16 1.61 0.15 -1.12 -3.00 113.70 117.20 2eed s SER 94 Ca 0.00 0.03 -0.30 0.00 0.70 0.00 0.00 55.95 56.37 2eed s SER 94 Cb 0.00 -1.57 -0.08 0.00 -1.71 0.00 0.00 66.02 62.65 2eed s SER 94 CO 0.00 0.15 1.33 -2.16 1.20 0.00 0.00 173.24 173.76 2eed s PRO 95 N -2.56 4.37 0.30 5.44 0.04 -1.26 -4.95 135.00 136.38 2eed s PRO 95 Ca 0.31 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.11 2eed s PRO 95 Cb -0.12 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.10 2eed s PRO 95 CO 0.23 -0.31 0.97 -0.06 0.04 0.00 0.00 177.00 177.88 2eed s PHE 96 N 0.49 3.73 -0.64 0.56 0.40 -0.73 -4.88 117.98 116.90 2eed s PHE 96 Ca 0.59 1.80 -0.18 0.00 -0.60 0.00 0.00 56.93 58.55 2eed s PHE 96 Cb -0.36 -3.00 0.12 0.00 0.51 0.00 0.00 43.02 40.29 2eed s PHE 96 CO 0.35 0.12 0.72 -1.58 0.70 0.00 0.00 175.22 175.53 2eed s HIS 97 N -1.44 3.13 -0.37 0.36 5.65 -1.26 -2.51 115.29 118.84 2eed s HIS 97 Ca 0.48 -1.16 -0.15 0.00 0.25 0.00 0.00 55.06 54.48 2eed s HIS 97 Cb -0.23 -3.99 -0.00 0.00 -1.18 0.00 0.00 32.58 27.19 2eed s HIS 97 CO 0.28 -1.24 0.32 0.08 -0.65 0.00 0.00 174.74 173.53 2eed s VAL 98 N 2.26 5.21 -0.23 0.89 1.01 -1.13 -4.80 120.40 123.62 2eed s VAL 98 Ca 0.13 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 2eed s VAL 98 Cb -0.22 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2eed s VAL 98 CO 0.03 -0.17 0.26 -0.89 0.00 0.00 0.00 175.10 174.32 2eed s THR 99 N 1.87 5.29 -0.20 3.92 2.01 -1.25 0.30 115.64 127.58 2eed s THR 99 Ca 0.09 0.39 -0.04 0.00 0.31 0.00 0.00 61.69 62.43 2eed s THR 99 Cb -0.17 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2eed s THR 99 CO 0.11 0.30 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.64 2eed s VAL 100 N 1.18 3.71 -2.00 3.82 1.01 0.48 -3.34 120.40 125.27 2eed s VAL 100 Ca 0.12 -0.39 0.16 0.00 0.00 0.00 0.00 61.98 61.86 2eed s VAL 100 Cb -0.14 -2.67 0.44 0.00 0.00 0.00 0.00 36.38 34.01 2eed s VAL 100 CO 0.06 0.43 1.34 -0.81 0.00 0.00 0.00 175.10 176.12