#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 2.18 -4.43 1.61 2.88 -1.26 -4.88 113.62 109.72 2eed n SER 2 Ca 0.00 1.09 -0.44 0.00 -1.33 0.00 0.00 58.87 58.19 2eed n SER 2 Cb 0.00 -1.23 -0.02 0.00 -0.75 0.00 0.00 64.21 62.20 2eed n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2eed s SER 3 N 1.43 6.73 0.00 -3.46 0.15 -1.26 -4.84 113.70 112.45 2eed s SER 3 Ca 0.87 -2.34 0.00 0.00 0.70 0.00 0.00 55.95 55.18 2eed s SER 3 Cb -0.91 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.04 2eed s SER 3 CO 0.49 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2eed n GLY 4 N 4.94 2.73 3.56 9.45 0.00 -1.26 -4.93 105.19 119.68 2eed n GLY 4 Ca 0.24 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 2eed n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eed s SER 5 N 0.00 5.97 -0.16 1.61 1.04 -1.26 -4.78 113.70 116.13 2eed s SER 5 Ca 0.00 -0.95 -0.12 0.00 0.48 0.00 0.00 55.95 55.36 2eed s SER 5 Cb 0.00 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.49 2eed s SER 5 CO 0.00 -1.97 -0.09 -1.28 0.98 0.00 0.00 173.24 170.88 2eed h SER 6 N 10.66 0.00 -0.87 7.02 0.87 -1.98 -3.42 113.55 125.84 2eed h SER 6 Ca 0.07 -0.12 -0.64 0.00 -1.23 0.00 0.00 61.79 59.87 2eed h SER 6 Cb 1.03 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.91 2eed h SER 6 CO 1.33 0.92 2.00 -0.83 -0.53 0.00 0.00 176.83 179.72 2eed s GLY 7 N -4.37 1.45 -0.52 5.77 0.00 -1.26 -4.90 107.32 103.48 2eed s GLY 7 Ca -0.18 -2.75 -0.06 0.00 0.00 0.00 0.00 44.72 41.74 2eed s GLY 7 CO 0.30 2.79 0.36 -0.56 0.00 0.00 0.00 173.10 176.00 2eed s SER 8 N 4.56 5.53 -0.40 1.64 0.01 -1.26 -4.96 113.70 118.82 2eed s SER 8 Ca 0.54 -2.26 -0.27 0.00 1.31 0.00 0.00 55.95 55.27 2eed s SER 8 Cb 0.03 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.28 2eed s SER 8 CO 0.06 -0.55 2.16 -0.44 0.41 0.00 0.00 173.24 174.87 2eed s SER 9 N 1.86 5.12 -0.11 2.44 0.01 -1.26 -4.67 113.70 117.09 2eed s SER 9 Ca 0.10 1.25 -0.04 0.00 1.31 0.00 0.00 55.95 58.57 2eed s SER 9 Cb -0.22 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 2eed s SER 9 CO -0.03 -2.32 0.07 -0.62 0.41 0.00 0.00 173.24 170.75 2eed s ASP 10 N 9.33 5.80 -0.16 2.44 2.15 -0.46 -4.99 116.67 130.78 2eed s ASP 10 Ca 0.91 0.30 0.07 0.00 0.43 0.00 0.00 52.55 54.26 2eed s ASP 10 Cb -0.22 -1.77 -0.23 0.00 -0.30 0.00 0.00 42.92 40.40 2eed s ASP 10 CO 0.29 0.39 0.19 0.00 -0.17 0.00 0.00 175.17 175.87 2eed n ALA 11 N 2.11 1.35 -0.04 3.66 0.00 -1.26 -4.21 120.51 122.12 2eed n ALA 11 Ca -0.19 -0.99 0.23 0.00 0.00 0.00 0.00 53.44 52.49 2eed n ALA 11 Cb 0.54 -0.42 0.72 0.00 0.00 0.00 0.00 19.45 20.29 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 0.02 0.00 0.26 0.00 0.02 -1.94 0.16 113.55 112.07 2eed h SER 12 Ca -0.47 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.25 2eed h SER 12 Cb 2.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.60 2eed h SER 12 CO 0.02 0.00 -0.92 0.11 -1.14 0.00 0.00 176.83 174.90 2eed h LYS 13 N 0.00 0.46 -6.22 3.45 1.79 -1.88 -3.44 116.57 110.74 2eed h LYS 13 Ca 0.30 -0.48 -0.59 0.00 -2.18 0.00 0.00 60.65 57.70 2eed h LYS 13 Cb 1.26 0.13 0.01 0.00 -1.58 0.00 0.00 32.23 32.06 2eed h LYS 13 CO -0.00 1.13 1.25 0.28 -1.08 0.00 0.00 179.45 181.03 2eed n VAL 14 N -3.78 0.56 -4.13 0.50 0.31 0.57 -4.85 118.33 107.51 2eed n VAL 14 Ca -0.07 -0.20 -0.26 0.00 -0.01 0.00 0.00 64.34 63.80 2eed n VAL 14 Cb 0.82 -2.14 -0.06 0.00 -0.91 0.00 0.00 33.84 31.55 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 5.38 4.22 -0.03 2.52 -4.23 -0.75 -4.51 115.64 118.24 2eed s THR 15 Ca 0.95 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 2eed s THR 15 Cb -0.55 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.14 2eed s THR 15 CO 0.45 -0.15 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.41 2eed s SER 16 N -3.17 0.63 0.20 3.99 1.04 -1.26 -0.27 113.70 114.85 2eed s SER 16 Ca 0.30 -0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.72 2eed s SER 16 Cb -0.09 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 65.71 2eed s SER 16 CO 0.22 -0.05 -0.13 -1.59 0.98 0.00 0.00 173.24 172.68 2eed s LYS 17 N 0.71 1.29 0.00 4.02 0.00 -0.57 -5.01 119.74 120.18 2eed s LYS 17 Ca -0.08 -1.57 0.00 0.00 0.00 0.00 0.00 55.97 54.31 2eed s LYS 17 Cb -0.11 -1.01 0.00 0.00 0.00 0.00 0.00 37.83 36.71 2eed s LYS 17 CO -0.01 0.15 0.00 0.41 0.00 0.00 0.00 175.35 175.90 2eed n GLY 18 N -0.35 0.95 0.13 0.59 0.00 -1.26 -2.18 105.19 103.07 2eed n GLY 18 Ca -0.08 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 43.63 2eed n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eed n ALA 19 N -1.00 1.23 -0.28 4.61 0.00 -1.25 -4.29 120.51 119.53 2eed n ALA 19 Ca 0.00 -0.91 0.34 0.00 0.00 0.00 0.00 53.44 52.86 2eed n ALA 19 Cb 0.00 -0.32 0.73 0.00 0.00 0.00 0.00 19.45 19.86 2eed n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2eed h GLY 20 N 1.63 0.00 1.46 0.00 0.00 -1.63 0.59 103.07 105.12 2eed h GLY 20 Ca -0.52 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.57 2eed h GLY 20 CO -0.03 0.00 -0.98 1.41 0.00 0.00 0.00 176.54 176.94 2eed h LEU 21 N 0.00 0.63 0.03 3.11 3.38 -1.85 -3.35 115.31 117.27 2eed h LEU 21 Ca 0.53 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2eed h LEU 21 Cb 2.24 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.80 2eed h LEU 21 CO -0.01 1.32 -0.02 -1.28 0.09 0.00 0.00 178.44 178.54 2eed h SER 22 N 0.27 -0.04 -4.99 -0.43 0.87 -0.16 -3.40 113.55 105.66 2eed h SER 22 Ca -0.10 -0.66 0.03 0.00 -1.23 0.00 0.00 61.79 59.84 2eed h SER 22 Cb 1.63 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 63.50 2eed h SER 22 CO 0.18 0.73 0.25 -1.59 -0.53 0.00 0.00 176.83 175.87 2eed s LYS 23 N -2.63 1.44 0.06 2.24 -2.85 0.51 -3.70 119.74 114.82 2eed s LYS 23 Ca -0.15 -0.67 -0.02 0.00 -1.00 0.00 0.00 55.97 54.14 2eed s LYS 23 Cb -0.01 0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 36.30 2eed s LYS 23 CO 0.54 -0.65 0.01 0.00 0.10 0.00 0.00 175.35 175.36 2eed s ALA 24 N -3.75 0.44 0.14 0.59 0.00 -1.20 -3.67 121.76 114.30 2eed s ALA 24 Ca 0.06 -1.15 0.10 0.00 0.00 0.00 0.00 51.96 50.96 2eed s ALA 24 Cb -0.03 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2eed s ALA 24 CO -0.04 -0.40 -0.22 -0.06 0.00 0.00 0.00 175.76 175.04 2eed s PHE 25 N -3.93 2.42 -0.10 0.00 0.40 -1.26 -3.94 117.98 111.58 2eed s PHE 25 Ca 0.09 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 55.80 2eed s PHE 25 Cb 0.07 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 2eed s PHE 25 CO -0.09 0.39 1.34 0.08 0.70 0.00 0.00 175.22 177.64 2eed s VAL 26 N -1.21 4.07 0.00 -0.44 1.01 -1.26 -2.81 120.40 119.75 2eed s VAL 26 Ca 0.17 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2eed s VAL 26 Cb -0.10 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2eed s VAL 26 CO 0.09 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2eed n GLY 27 N 3.65 3.18 3.92 4.51 0.00 -1.17 -5.03 105.19 114.25 2eed n GLY 27 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.41 3.01 -0.24 1.61 1.11 -1.12 -5.00 119.66 118.61 2eed s GLN 28 Ca 0.00 -0.07 -0.06 0.00 0.01 0.00 0.00 55.36 55.24 2eed s GLN 28 Cb 0.00 -2.33 -0.02 0.00 -1.01 0.00 0.00 33.01 29.65 2eed s GLN 28 CO 0.00 -0.57 0.02 0.21 0.01 0.00 0.00 175.29 174.96 2eed s LYS 29 N -4.89 3.55 -0.17 2.91 2.20 -1.26 -4.37 119.74 117.71 2eed s LYS 29 Ca 0.52 -0.53 -0.05 0.00 -0.36 0.00 0.00 55.97 55.54 2eed s LYS 29 Cb -0.10 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2eed s LYS 29 CO 0.44 -0.18 0.01 -1.12 -0.36 0.00 0.00 175.35 174.13 2eed s SER 30 N 1.54 5.14 0.21 1.43 0.01 -1.11 -4.99 113.70 115.93 2eed s SER 30 Ca 0.06 -0.06 0.11 0.00 1.31 0.00 0.00 55.95 57.38 2eed s SER 30 Cb -0.15 -1.86 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 2eed s SER 30 CO 0.01 0.15 -0.23 -0.94 0.41 0.00 0.00 173.24 172.65 2eed s SER 31 N 0.47 3.49 -0.18 2.44 1.04 -1.26 -2.02 113.70 117.68 2eed s SER 31 Ca -0.01 -0.89 -0.13 0.00 0.48 0.00 0.00 55.95 55.40 2eed s SER 31 Cb -0.14 -0.28 0.05 0.00 0.10 0.00 0.00 66.02 65.76 2eed s SER 31 CO 0.02 0.10 0.45 0.72 0.98 0.00 0.00 173.24 175.52 2eed s PHE 32 N -1.84 -0.58 0.06 5.02 -0.71 -0.41 -3.61 117.98 115.90 2eed s PHE 32 Ca 0.23 1.32 0.02 0.00 -1.04 0.00 0.00 56.93 57.46 2eed s PHE 32 Cb -0.07 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2eed s PHE 32 CO 0.11 -0.30 0.09 -1.17 -1.34 0.00 0.00 175.22 172.61 2eed s LEU 33 N 0.82 3.88 -0.21 -1.99 2.96 -0.93 -1.86 118.68 121.35 2eed s LEU 33 Ca -0.05 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2eed s LEU 33 Cb -0.05 -2.50 0.04 0.00 0.50 0.00 0.00 46.19 44.18 2eed s LEU 33 CO -0.06 0.19 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.36 2eed s VAL 34 N -1.37 1.78 -0.19 1.68 1.01 -1.02 -1.50 120.40 120.78 2eed s VAL 34 Ca 0.29 -1.14 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 2eed s VAL 34 Cb -0.12 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 2eed s VAL 34 CO 0.21 0.15 0.97 -0.62 0.00 0.00 0.00 175.10 175.81 2eed s ASP 35 N 1.33 7.08 -0.28 3.32 -1.08 0.63 -2.99 116.67 124.68 2eed s ASP 35 Ca -0.02 1.35 0.16 0.00 -0.52 0.00 0.00 52.55 53.51 2eed s ASP 35 Cb -0.17 -2.52 0.48 0.00 -1.46 0.00 0.00 42.92 39.26 2eed s ASP 35 CO -0.08 -0.55 1.13 0.00 0.52 0.00 0.00 175.17 176.19 2eed h SER 37 N 2.46 0.61 -0.69 0.00 0.87 -1.89 -3.26 113.55 111.65 2eed h SER 37 Ca 0.08 -0.49 -0.46 0.00 -1.23 0.00 0.00 61.79 59.69 2eed h SER 37 Cb 1.36 -0.17 -0.28 0.00 -0.44 0.00 0.00 62.40 62.87 2eed h SER 37 CO 0.45 0.98 -0.10 0.29 -0.53 0.00 0.00 176.83 177.91 2eed n LYS 38 N -4.36 2.74 -0.09 2.24 4.76 -1.26 -4.67 118.16 117.51 2eed n LYS 38 Ca -0.05 -3.59 -0.15 0.00 -2.87 0.00 0.00 58.31 51.65 2eed n LYS 38 Cb 0.45 -2.12 -0.07 0.00 -1.84 0.00 0.00 35.03 31.44 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 -0.92 0.71 0.00 7.82 0.00 -1.23 -4.83 120.51 122.06 2eed n ALA 39 Ca 0.46 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2eed n ALA 39 Cb 0.93 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 1.49 -0.63 1.24 0.00 0.00 -1.26 -1.35 105.19 104.67 2eed n GLY 40 Ca -0.24 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.69 2eed n GLY 40 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eed n SER 41 N 0.00 1.19 -3.82 1.61 2.88 -1.26 -5.00 113.62 109.21 2eed n SER 41 Ca 0.00 -2.52 -0.12 0.00 -1.33 0.00 0.00 58.87 54.89 2eed n SER 41 Cb 0.00 -0.36 0.04 0.00 -0.75 0.00 0.00 64.21 63.14 2eed n SER 41 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2eed n ASN 42 N 0.05 1.35 -5.00 -3.46 2.85 -1.26 -5.06 115.26 104.72 2eed n ASN 42 Ca 0.10 -1.96 -0.22 0.00 -0.11 0.00 0.00 54.58 52.38 2eed n ASN 42 Cb 1.02 -0.25 0.05 0.00 1.24 0.00 0.00 39.78 41.83 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 -3.62 2.25 -0.16 1.20 0.23 -1.26 -4.99 119.30 112.95 2eed s MET 43 Ca 0.37 -1.79 0.00 0.00 -1.03 0.00 0.00 55.69 53.24 2eed s MET 43 Cb -0.03 -2.48 0.03 0.00 -1.53 0.00 0.00 34.83 30.83 2eed s MET 43 CO 0.23 -0.85 -0.09 -1.17 -2.03 0.00 0.00 175.02 171.11 2eed s LEU 44 N -4.59 1.68 0.25 0.18 2.96 -1.26 -3.55 118.68 114.35 2eed s LEU 44 Ca 0.54 -0.58 0.10 0.00 -0.22 0.00 0.00 54.13 53.97 2eed s LEU 44 Cb -0.04 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 2eed s LEU 44 CO 0.34 -0.12 -0.17 -1.48 -1.32 0.00 0.00 176.35 173.60 2eed s LEU 45 N 1.56 2.58 0.10 -0.68 0.05 -1.21 -5.09 118.68 115.99 2eed s LEU 45 Ca 0.02 -1.04 0.08 0.00 0.05 0.00 0.00 54.13 53.25 2eed s LEU 45 Cb -0.14 -0.90 -0.04 0.00 -2.05 0.00 0.00 46.19 43.07 2eed s LEU 45 CO -0.09 -0.08 -0.21 -0.63 -0.55 0.00 0.00 176.35 174.79 2eed s ILE 46 N -2.73 1.76 -0.37 1.48 -1.09 -1.26 -3.16 121.20 115.83 2eed s ILE 46 Ca 0.27 -1.56 0.14 0.00 -2.23 0.00 0.00 60.65 57.27 2eed s ILE 46 Cb -0.02 -1.60 0.41 0.00 -1.58 0.00 0.00 42.46 39.67 2eed s ILE 46 CO 0.12 -0.04 0.89 0.61 -1.23 0.00 0.00 174.94 175.29 2eed n GLY 47 N 1.08 2.95 3.67 6.18 0.00 -0.30 -4.99 105.19 113.78 2eed n GLY 47 Ca -0.19 -1.68 -0.57 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.01 0.18 -4.02 1.61 0.24 -1.26 -4.29 118.33 110.79 2eed n VAL 48 Ca 0.19 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.34 62.11 2eed n VAL 48 Cb 0.72 -1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.03 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 2.46 3.44 -0.71 6.34 2.46 -1.23 -4.99 115.29 123.06 2eed s HIS 49 Ca 0.94 0.34 0.03 0.00 0.47 0.00 0.00 55.06 56.85 2eed s HIS 49 Cb -1.08 -1.83 0.31 0.00 -0.13 0.00 0.00 32.58 29.86 2eed s HIS 49 CO 0.61 0.62 1.09 0.41 -2.47 0.00 0.00 174.74 175.01 2eed n GLY 50 N 1.47 5.48 0.28 1.59 0.00 -1.26 -4.49 105.19 108.25 2eed n GLY 50 Ca -0.15 -2.74 0.17 0.00 0.00 0.00 0.00 46.02 43.30 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 3.68 0.00 0.00 1.61 0.13 -1.94 -3.37 132.00 132.11 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 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2eed h PRO 51 CO 0.93 0.01 -0.48 0.25 -0.23 0.00 0.00 178.00 178.48 2eed n THR 52 N -3.10 0.00 -3.60 1.56 -2.24 -1.26 -5.08 114.28 100.55 2eed n THR 52 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 2eed n THR 52 Cb 0.30 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.48 -0.99 0.59 4.28 2.01 -1.26 -5.12 115.64 113.67 2eed s THR 53 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 2eed s THR 53 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2eed s THR 53 CO 0.00 0.00 1.12 -2.16 -0.69 0.00 0.00 174.62 172.89 2eed s PRO 54 N 2.89 3.15 0.41 4.92 0.04 -1.26 -4.71 135.00 140.44 2eed s PRO 54 Ca -0.04 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 2eed s PRO 54 Cb -0.12 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 2eed s PRO 54 CO -0.19 -1.00 0.79 0.00 0.04 0.00 0.00 177.00 176.64 2eed h GLU 56 N 1.29 0.86 -1.75 0.00 4.39 -0.95 -3.47 114.58 114.95 2eed h GLU 56 Ca -0.47 -0.13 0.27 0.00 0.34 0.00 0.00 59.36 59.36 2eed h GLU 56 Cb 1.19 -0.15 -0.12 0.00 -0.10 0.00 0.00 28.75 29.57 2eed h GLU 56 CO 0.64 0.71 0.71 -1.83 -1.16 0.00 0.00 179.01 178.07 2eed s GLU 57 N -5.66 0.65 -0.30 2.33 -1.05 -1.26 -5.01 118.70 108.40 2eed s GLU 57 Ca -0.13 -0.35 -0.02 0.00 -0.15 0.00 0.00 54.97 54.33 2eed s GLU 57 Cb 0.13 0.23 0.10 0.00 -0.44 0.00 0.00 34.13 34.14 2eed s GLU 57 CO 0.79 -0.29 0.11 0.08 0.95 0.00 0.00 175.26 176.89 2eed s VAL 58 N -2.71 0.55 -0.44 1.83 1.01 -1.26 -3.59 120.40 115.79 2eed s VAL 58 Ca 0.13 -1.15 -0.23 0.00 0.00 0.00 0.00 61.98 60.72 2eed s VAL 58 Cb 0.02 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2eed s VAL 58 CO -0.02 -0.67 0.79 -0.55 0.00 0.00 0.00 175.10 174.64 2eed s SER 59 N 1.79 6.44 -0.16 3.32 0.15 0.03 -4.94 113.70 120.33 2eed s SER 59 Ca 0.09 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.71 2eed s SER 59 Cb -0.17 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2eed s SER 59 CO -0.28 -0.89 -0.11 -0.04 1.20 0.00 0.00 173.24 173.12 2eed s MET 60 N 3.27 3.36 -0.06 5.44 -1.94 -1.26 -1.45 119.30 126.66 2eed s MET 60 Ca 0.30 -0.68 -0.04 0.00 -1.71 0.00 0.00 55.69 53.57 2eed s MET 60 Cb -0.12 -2.73 0.03 0.00 2.01 0.00 0.00 34.83 34.02 2eed s MET 60 CO 0.22 0.09 0.15 0.15 -0.01 0.00 0.00 175.02 175.61 2eed s LYS 61 N 0.68 0.13 -1.27 2.03 -0.14 0.10 -5.00 119.74 116.27 2eed s LYS 61 Ca -0.06 0.29 -0.17 0.00 -1.36 0.00 0.00 55.97 54.68 2eed s LYS 61 Cb -0.15 -0.05 0.10 0.00 -1.68 0.00 0.00 37.83 36.05 2eed s LYS 61 CO 0.02 -0.09 1.65 -1.58 -0.76 0.00 0.00 175.35 174.59 2eed s HIS 62 N 0.63 2.99 0.60 3.18 5.65 -1.26 0.20 115.29 127.28 2eed s HIS 62 Ca -0.05 -1.77 0.28 0.00 0.25 0.00 0.00 55.06 53.77 2eed s HIS 62 Cb -0.06 -4.63 1.16 0.00 -1.18 0.00 0.00 32.58 27.87 2eed s HIS 62 CO -0.03 -1.69 1.55 -0.39 -0.65 0.00 0.00 174.74 173.53 2eed h VAL 63 N 5.31 0.14 0.00 0.89 -1.51 -1.88 -3.47 116.25 115.74 2eed h VAL 63 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.88 2eed h VAL 63 Cb 0.87 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2eed h VAL 63 CO 1.40 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.35 2eed n GLY 64 N -1.63 -0.62 3.44 5.19 0.00 -1.11 -4.97 105.19 105.50 2eed n GLY 64 Ca 0.17 -2.19 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.30 -2.15 1.61 4.13 -1.26 0.10 115.26 114.39 2eed n ASN 65 Ca 0.00 -0.43 -0.18 0.00 1.68 0.00 0.00 54.58 55.66 2eed n ASN 65 Cb 0.00 -2.75 0.00 0.00 -1.54 0.00 0.00 39.78 35.49 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2eed n GLN 66 N -3.68 -2.19 -4.63 3.52 3.00 -1.26 -4.84 117.38 107.30 2eed n GLN 66 Ca 0.00 0.82 -0.25 0.00 -0.01 0.00 0.00 57.00 57.56 2eed n GLN 66 Cb 0.53 -5.31 -0.14 0.00 0.00 0.00 0.00 30.24 25.31 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 -5.06 1.38 -0.15 -1.09 -0.21 0.28 -1.43 119.66 113.39 2eed s GLN 67 Ca 0.07 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 54.50 2eed s GLN 67 Cb -0.03 -1.50 0.03 0.00 1.00 0.00 0.00 33.01 32.51 2eed s GLN 67 CO 0.09 0.38 -0.10 0.71 -2.12 0.00 0.00 175.29 174.25 2eed s TYR 68 N -0.82 1.95 -0.23 0.91 1.51 -1.16 -2.75 117.35 116.76 2eed s TYR 68 Ca 0.07 -1.14 -0.21 0.00 -1.01 0.00 0.00 57.07 54.78 2eed s TYR 68 Cb -0.09 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 2eed s TYR 68 CO 0.02 -0.63 0.68 1.21 -1.11 0.00 0.00 175.55 175.71 2eed s ASN 69 N 1.55 6.67 -0.18 2.29 3.04 0.13 -2.44 114.94 126.01 2eed s ASN 69 Ca 0.03 0.82 -0.00 0.00 0.04 0.00 0.00 52.86 53.75 2eed s ASN 69 Cb -0.14 -2.36 0.04 0.00 -1.54 0.00 0.00 41.25 37.25 2eed s ASN 69 CO -0.09 -0.38 -0.06 -0.69 -3.04 0.00 0.00 177.10 172.84 2eed s VAL 70 N 2.42 1.23 0.09 -5.21 1.01 -0.78 -0.72 120.40 118.44 2eed s VAL 70 Ca 0.29 -0.76 0.10 0.00 0.00 0.00 0.00 61.98 61.61 2eed s VAL 70 Cb -0.16 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2eed s VAL 70 CO 0.09 0.10 -0.25 -0.89 0.00 0.00 0.00 175.10 174.15 2eed s THR 71 N 1.57 2.03 0.29 3.92 2.01 -0.53 -1.29 115.64 123.65 2eed s THR 71 Ca -0.00 -1.56 -0.01 0.00 0.31 0.00 0.00 61.69 60.43 2eed s THR 71 Cb -0.16 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 2eed s THR 71 CO -0.08 0.13 0.33 -0.72 -0.69 0.00 0.00 174.62 173.59 2eed s TYR 72 N -0.99 1.18 -0.04 4.92 -0.85 -0.86 -0.79 117.35 119.92 2eed s TYR 72 Ca 0.11 -1.34 -0.02 0.00 -0.52 0.00 0.00 57.07 55.30 2eed s TYR 72 Cb -0.10 -0.34 0.03 0.00 0.38 0.00 0.00 41.96 41.93 2eed s TYR 72 CO 0.04 -0.91 0.07 0.08 -1.52 0.00 0.00 175.55 173.31 2eed s VAL 73 N -3.59 -0.12 0.13 -3.49 1.01 -1.24 -2.76 120.40 110.35 2eed s VAL 73 Ca 0.34 0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 2eed s VAL 73 Cb 0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 36.38 36.18 2eed s VAL 73 CO 0.18 0.15 0.41 0.68 0.00 0.00 0.00 175.10 176.53 2eed s VAL 74 N 1.93 5.10 -0.18 2.92 -7.23 -1.26 -0.20 120.40 121.48 2eed s VAL 74 Ca 0.01 0.27 0.16 0.00 -1.81 0.00 0.00 61.98 60.61 2eed s VAL 74 Cb -0.12 -3.63 0.43 0.00 0.56 0.00 0.00 36.38 33.61 2eed s VAL 74 CO -0.04 0.12 1.31 0.29 -0.31 0.00 0.00 175.10 176.47 2eed n LYS 75 N 0.37 2.02 -3.73 4.82 4.76 -1.26 -3.03 118.16 122.11 2eed n LYS 75 Ca -0.04 -2.84 -0.03 0.00 -2.87 0.00 0.00 58.31 52.53 2eed n LYS 75 Cb 0.52 -1.69 -0.01 0.00 -1.84 0.00 0.00 35.03 32.01 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 -2.95 1.11 0.22 1.97 2.12 -1.26 -4.99 118.70 114.92 2eed s GLU 76 Ca 0.38 -0.60 0.11 0.00 0.36 0.00 0.00 54.97 55.22 2eed s GLU 76 Cb 0.33 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 35.06 2eed s GLU 76 CO 0.04 -0.51 -0.15 -0.98 -0.54 0.00 0.00 175.26 173.12 2eed s ARG 77 N -3.21 1.82 0.00 4.30 1.70 -1.26 -4.65 118.95 117.65 2eed s ARG 77 Ca 0.12 -1.50 0.00 0.00 -0.47 0.00 0.00 55.73 53.88 2eed s ARG 77 Cb -0.01 -1.96 0.00 0.00 -0.57 0.00 0.00 34.95 32.41 2eed s ARG 77 CO 0.01 0.39 0.00 0.41 -1.08 0.00 0.00 175.30 175.03 2eed n GLY 78 N -0.20 0.10 3.23 3.88 0.00 -1.22 -4.97 105.19 106.01 2eed n GLY 78 Ca -0.09 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 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 5.45 0.46 1.61 -4.77 -1.26 -2.30 116.67 111.86 2eed s ASP 79 Ca 0.00 -1.57 -0.01 0.00 -3.30 0.00 0.00 52.55 47.67 2eed s ASP 79 Cb 0.00 -1.92 -0.01 0.00 -1.09 0.00 0.00 42.92 39.90 2eed s ASP 79 CO 0.00 -0.50 0.70 -0.31 0.70 0.00 0.00 175.17 175.77 2eed s TYR 80 N 1.34 3.32 -0.29 2.11 1.51 -0.35 -4.72 117.35 120.28 2eed s TYR 80 Ca 0.03 0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 56.47 2eed s TYR 80 Cb -0.22 -2.31 0.09 0.00 -0.11 0.00 0.00 41.96 39.41 2eed s TYR 80 CO 0.00 -0.34 0.09 0.08 -1.11 0.00 0.00 175.55 174.27 2eed s VAL 81 N -2.61 0.62 -0.29 0.71 1.01 -1.26 -3.19 120.40 115.38 2eed s VAL 81 Ca 0.48 -1.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 2eed s VAL 81 Cb -0.10 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2eed s VAL 81 CO 0.40 -0.61 0.83 -0.22 0.00 0.00 0.00 175.10 175.50 2eed s LEU 82 N 1.76 4.07 -0.34 3.92 2.96 -1.18 -3.48 118.68 126.38 2eed s LEU 82 Ca 0.08 0.79 -0.06 0.00 -0.22 0.00 0.00 54.13 54.72 2eed s LEU 82 Cb -0.17 -3.15 0.05 0.00 0.50 0.00 0.00 46.19 43.41 2eed s LEU 82 CO -0.25 -0.62 0.11 0.00 -1.32 0.00 0.00 176.35 174.27 2eed s ALA 83 N 3.01 3.04 -0.12 5.97 0.00 -1.26 -1.95 121.76 130.45 2eed s ALA 83 Ca 0.34 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.51 2eed s ALA 83 Cb -0.14 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 2eed s ALA 83 CO 0.12 -1.37 -0.18 0.08 0.00 0.00 0.00 175.76 174.40 2eed s VAL 84 N 1.38 2.58 0.16 0.00 1.01 -1.26 -1.15 120.40 123.12 2eed s VAL 84 Ca -0.01 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.25 2eed s VAL 84 Cb -0.20 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2eed s VAL 84 CO 0.02 0.54 -0.25 -0.54 0.00 0.00 0.00 175.10 174.87 2eed s LYS 85 N 0.38 1.44 -0.35 2.72 1.02 -1.19 -2.74 119.74 121.02 2eed s LYS 85 Ca -0.14 -1.44 -0.00 0.00 0.02 0.00 0.00 55.97 54.41 2eed s LYS 85 Cb -0.17 -1.81 0.12 0.00 -0.52 0.00 0.00 37.83 35.45 2eed s LYS 85 CO 0.07 0.41 0.16 -0.46 -0.92 0.00 0.00 175.35 174.60 2eed s TRP 86 N -1.45 1.39 -0.69 3.18 -0.11 -0.48 -3.34 118.94 117.45 2eed s TRP 86 Ca 0.17 -1.76 -0.04 0.00 1.22 0.00 0.00 56.10 55.69 2eed s TRP 86 Cb -0.09 -1.50 0.01 0.00 -1.50 0.00 0.00 33.47 30.39 2eed s TRP 86 CO 0.08 -0.84 0.67 0.41 -4.62 0.00 0.00 176.95 172.65 2eed n GLY 87 N 4.45 -1.20 3.72 5.86 0.00 -1.23 -3.19 105.19 113.60 2eed n GLY 87 Ca 0.02 0.65 -0.25 0.00 0.00 0.00 0.00 46.02 46.44 2eed n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2eed n GLU 88 N -1.61 -6.34 -3.95 1.61 1.02 -1.26 -4.96 120.64 105.14 2eed n GLU 88 Ca -0.04 0.70 -0.12 0.00 -0.02 0.00 0.00 57.16 57.69 2eed n GLU 88 Cb 0.53 -5.61 -0.01 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 -6.28 2.09 -0.19 3.49 2.02 -1.19 -5.13 118.70 113.51 2eed s GLU 89 Ca 0.45 -1.61 -0.02 0.00 0.02 0.00 0.00 54.97 53.81 2eed s GLU 89 Cb -0.22 0.54 0.06 0.00 0.10 0.00 0.00 34.13 34.60 2eed s GLU 89 CO 0.78 -0.93 0.01 -1.01 0.02 0.00 0.00 175.26 174.14 2eed s HIS 90 N -2.65 1.28 0.50 1.61 3.76 -1.26 -1.38 115.29 117.15 2eed s HIS 90 Ca 0.23 -0.96 -0.18 0.00 -0.15 0.00 0.00 55.06 54.00 2eed s HIS 90 Cb -0.03 -1.12 -0.14 0.00 1.11 0.00 0.00 32.58 32.39 2eed s HIS 90 CO 0.16 -0.61 -0.05 0.44 -0.85 0.00 0.00 174.74 173.83 2eed n ILE 91 N 4.98 0.23 -2.04 0.60 -5.35 -1.11 -4.73 119.36 111.94 2eed n ILE 91 Ca -0.10 -0.50 -0.33 0.00 -0.27 0.00 0.00 62.75 61.55 2eed n ILE 91 Cb 0.47 -0.06 -0.04 0.00 -1.74 0.00 0.00 39.64 38.27 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 -1.10 2.59 0.00 6.28 0.04 -1.26 -2.65 135.00 138.90 2eed s PRO 92 Ca 0.58 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2eed s PRO 92 Cb -0.50 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.34 2eed s PRO 92 CO 0.65 -3.03 0.00 0.41 0.04 0.00 0.00 177.00 175.07 2eed n GLY 93 N 6.23 0.54 3.92 0.56 0.00 -1.26 -5.01 105.19 110.17 2eed n GLY 93 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 6.40 0.07 1.61 0.15 -1.09 -3.10 113.70 117.75 2eed s SER 94 Ca 0.00 0.38 -0.31 0.00 0.70 0.00 0.00 55.95 56.72 2eed s SER 94 Cb 0.00 -2.00 -0.07 0.00 -1.71 0.00 0.00 66.02 62.24 2eed s SER 94 CO 0.00 0.04 1.39 -2.16 1.20 0.00 0.00 173.24 173.71 2eed s PRO 95 N -2.98 4.31 0.65 5.44 0.04 -1.26 -4.93 135.00 136.26 2eed s PRO 95 Ca 0.38 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 63.31 2eed s PRO 95 Cb -0.12 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 2eed s PRO 95 CO 0.28 -0.48 1.06 -0.06 0.04 0.00 0.00 177.00 177.84 2eed s PHE 96 N 1.61 2.98 -0.42 0.56 0.40 -0.82 -4.88 117.98 117.41 2eed s PHE 96 Ca 0.64 1.49 -0.06 0.00 -0.60 0.00 0.00 56.93 58.40 2eed s PHE 96 Cb -0.35 -2.97 0.10 0.00 0.51 0.00 0.00 43.02 40.31 2eed s PHE 96 CO 0.29 -1.24 0.24 -1.58 0.70 0.00 0.00 175.22 173.63 2eed s HIS 97 N -2.69 3.46 -0.25 0.36 5.65 -1.26 -3.10 115.29 117.46 2eed s HIS 97 Ca 0.62 -2.01 -0.10 0.00 0.25 0.00 0.00 55.06 53.82 2eed s HIS 97 Cb -0.16 -3.14 -0.04 0.00 -1.18 0.00 0.00 32.58 28.06 2eed s HIS 97 CO 0.45 -0.93 0.14 0.08 -0.65 0.00 0.00 174.74 173.82 2eed s VAL 98 N 1.28 5.04 -0.15 0.89 1.01 -1.19 -4.82 120.40 122.45 2eed s VAL 98 Ca 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2eed s VAL 98 Cb -0.23 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2eed s VAL 98 CO -0.02 0.33 -0.02 -0.89 0.00 0.00 0.00 175.10 174.51 2eed s THR 99 N 1.31 4.09 -0.10 3.92 2.01 -1.24 -1.21 115.64 124.41 2eed s THR 99 Ca 0.06 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2eed s THR 99 Cb -0.14 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 2eed s THR 99 CO 0.06 0.50 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.69 2eed s VAL 100 N 0.27 3.32 -2.00 3.82 1.01 -0.97 -3.25 120.40 122.60 2eed s VAL 100 Ca -0.02 -0.59 0.16 0.00 0.00 0.00 0.00 61.98 61.53 2eed s VAL 100 Cb -0.14 -2.38 0.45 0.00 0.00 0.00 0.00 36.38 34.31 2eed s VAL 100 CO 0.02 0.55 1.35 -0.81 0.00 0.00 0.00 175.10 176.21