#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 5.98 -0.63 1.61 0.01 -1.26 -5.00 113.70 114.41 2eed s SER 2 Ca 0.00 -3.56 -0.05 0.00 1.31 0.00 0.00 55.95 53.65 2eed s SER 2 Cb 0.00 -1.92 0.16 0.00 0.21 0.00 0.00 66.02 64.47 2eed s SER 2 CO 0.00 -0.23 0.47 -0.94 0.41 0.00 0.00 173.24 172.95 2eed s SER 3 N 0.12 5.53 0.49 2.44 1.04 -1.26 -5.07 113.70 117.00 2eed s SER 3 Ca 0.26 -2.69 -0.24 0.00 0.48 0.00 0.00 55.95 53.76 2eed s SER 3 Cb -0.09 -1.93 -0.07 0.00 0.10 0.00 0.00 66.02 64.03 2eed s SER 3 CO -0.11 -0.44 1.36 0.61 0.98 0.00 0.00 173.24 175.64 2eed n GLY 4 N 3.77 0.80 0.35 7.32 0.00 -1.26 -4.97 105.19 111.20 2eed n GLY 4 Ca 0.07 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 2eed n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eed n SER 5 N -0.51 1.29 -3.34 1.61 7.64 -1.26 -5.06 113.62 114.00 2eed n SER 5 Ca 0.08 0.21 0.02 0.00 1.01 0.00 0.00 58.87 60.19 2eed n SER 5 Cb 0.43 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 2eed n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2eed s SER 6 N -5.54 -0.92 0.01 6.43 0.01 -1.26 -5.17 113.70 107.27 2eed s SER 6 Ca -0.16 0.90 0.02 0.00 1.31 0.00 0.00 55.95 58.02 2eed s SER 6 Cb 0.02 1.90 -0.01 0.00 0.21 0.00 0.00 66.02 68.14 2eed s SER 6 CO 0.23 -0.17 -0.07 -0.83 0.41 0.00 0.00 173.24 172.81 2eed s GLY 7 N 2.77 0.37 -0.26 3.44 0.00 -1.26 -5.13 107.32 107.26 2eed s GLY 7 Ca 0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 44.72 44.32 2eed s GLY 7 CO -0.18 -0.39 0.42 -0.45 0.00 0.00 0.00 173.10 172.50 2eed s SER 8 N -0.55 -0.05 -0.13 1.64 0.15 -1.26 -5.14 113.70 108.35 2eed s SER 8 Ca -0.01 0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 2eed s SER 8 Cb -0.04 1.31 0.06 0.00 -1.71 0.00 0.00 66.02 65.63 2eed s SER 8 CO 0.00 -0.30 0.31 -0.44 1.20 0.00 0.00 173.24 174.01 2eed s SER 9 N 2.60 -0.26 -0.09 5.45 0.01 -1.26 -3.98 113.70 116.18 2eed s SER 9 Ca 0.14 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.08 2eed s SER 9 Cb -0.15 0.62 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 2eed s SER 9 CO -0.18 -0.19 -0.09 -1.81 0.41 0.00 0.00 173.24 171.39 2eed s ASP 10 N 1.55 4.46 -0.01 2.44 1.11 0.51 -4.96 116.67 121.78 2eed s ASP 10 Ca -0.07 -0.12 -0.06 0.00 0.18 0.00 0.00 52.55 52.48 2eed s ASP 10 Cb -0.10 -1.27 -0.29 0.00 1.07 0.00 0.00 42.92 42.33 2eed s ASP 10 CO -0.10 0.30 0.82 0.00 1.18 0.00 0.00 175.17 177.36 2eed h ALA 11 N 5.71 0.21 -1.03 5.23 0.00 -1.85 -3.32 119.26 124.21 2eed h ALA 11 Ca -0.42 -1.10 0.30 0.00 0.00 0.00 0.00 54.91 53.69 2eed h ALA 11 Cb 1.18 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 2eed h ALA 11 CO 0.54 1.08 0.80 0.77 0.00 0.00 0.00 179.25 182.43 2eed h SER 12 N 0.08 0.00 0.10 0.00 0.02 -1.94 0.42 113.55 112.24 2eed h SER 12 Ca -0.27 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.40 2eed h SER 12 Cb 2.05 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.61 2eed h SER 12 CO 0.17 0.00 -1.14 0.11 -1.14 0.00 0.00 176.83 174.83 2eed h LYS 13 N 0.00 0.64 -6.13 3.45 1.79 -1.90 -3.44 116.57 110.98 2eed h LYS 13 Ca 0.49 -0.77 -0.62 0.00 -2.18 0.00 0.00 60.65 57.57 2eed h LYS 13 Cb 2.08 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 32.97 2eed h LYS 13 CO -0.01 1.34 1.29 0.28 -1.08 0.00 0.00 179.45 181.27 2eed n VAL 14 N -3.81 0.44 -4.07 0.50 0.31 0.15 -4.88 118.33 106.97 2eed n VAL 14 Ca -0.12 -0.24 -0.24 0.00 -0.01 0.00 0.00 64.34 63.74 2eed n VAL 14 Cb 0.93 -2.02 -0.04 0.00 -0.91 0.00 0.00 33.84 31.80 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 6.00 4.65 -0.02 2.52 -4.23 -1.05 -4.49 115.64 119.02 2eed s THR 15 Ca 0.99 -1.17 -0.00 0.00 -1.18 0.00 0.00 61.69 60.32 2eed s THR 15 Cb -0.63 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 69.77 2eed s THR 15 CO 0.46 -0.24 0.03 -0.94 -0.54 0.00 0.00 174.62 173.39 2eed s SER 16 N -3.56 0.04 0.12 3.99 1.04 -1.26 -1.05 113.70 113.03 2eed s SER 16 Ca 0.33 0.04 0.08 0.00 0.48 0.00 0.00 55.95 56.87 2eed s SER 16 Cb -0.09 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 2eed s SER 16 CO 0.25 -0.10 -0.18 -1.59 0.98 0.00 0.00 173.24 172.60 2eed s LYS 17 N 0.80 1.13 0.00 4.02 -2.85 -0.15 -5.00 119.74 117.68 2eed s LYS 17 Ca -0.07 -1.23 0.00 0.00 -1.00 0.00 0.00 55.97 53.67 2eed s LYS 17 Cb -0.09 -1.24 0.00 0.00 -2.06 0.00 0.00 37.83 34.43 2eed s LYS 17 CO -0.02 0.27 0.00 0.41 0.10 0.00 0.00 175.35 176.11 2eed n GLY 18 N 0.77 4.02 0.08 0.59 0.00 -1.26 -1.56 105.19 107.84 2eed n GLY 18 Ca -0.17 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.06 -1.33 4.61 0.00 -1.86 -3.18 119.26 117.43 2eed h ALA 19 Ca 0.00 -0.25 0.43 0.00 0.00 0.00 0.00 54.91 55.08 2eed h ALA 19 Cb 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 2eed h ALA 19 CO 0.00 -0.27 0.90 0.41 0.00 0.00 0.00 179.25 180.29 2eed n GLY 20 N 0.33 -0.75 0.20 0.00 0.00 -1.16 0.23 105.19 104.04 2eed n GLY 20 Ca -0.09 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 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 0.77 0.01 0.99 3.38 -1.84 -3.36 115.31 115.26 2eed h LEU 21 Ca 0.76 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2eed h LEU 21 Cb 2.65 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 43.18 2eed h LEU 21 CO -0.26 1.22 -0.00 -1.28 0.09 0.00 0.00 178.44 178.21 2eed h SER 22 N 0.35 -0.01 -5.09 -0.43 0.87 0.28 -3.40 113.55 106.13 2eed h SER 22 Ca -0.02 -0.57 -0.07 0.00 -1.23 0.00 0.00 61.79 59.90 2eed h SER 22 Cb 1.14 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.96 2eed h SER 22 CO 0.11 0.77 -0.17 -1.59 -0.53 0.00 0.00 176.83 175.43 2eed s LYS 23 N -2.00 0.96 0.15 2.24 -2.85 0.14 -3.70 119.74 114.68 2eed s LYS 23 Ca -0.11 -0.69 0.04 0.00 -1.00 0.00 0.00 55.97 54.20 2eed s LYS 23 Cb -0.02 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2eed s LYS 23 CO 0.41 -0.35 -0.08 0.00 0.10 0.00 0.00 175.35 175.43 2eed s ALA 24 N -3.49 1.37 -0.03 0.59 0.00 -1.09 -2.97 121.76 116.15 2eed s ALA 24 Ca 0.01 -1.50 0.06 0.00 0.00 0.00 0.00 51.96 50.54 2eed s ALA 24 Cb 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 2eed s ALA 24 CO -0.09 -0.16 -0.22 -0.06 0.00 0.00 0.00 175.76 175.22 2eed s PHE 25 N -3.43 2.07 0.02 0.00 0.40 -1.26 -4.01 117.98 111.77 2eed s PHE 25 Ca 0.17 -0.47 -0.36 0.00 -0.60 0.00 0.00 56.93 55.68 2eed s PHE 25 Cb 0.04 -1.34 -0.14 0.00 0.51 0.00 0.00 43.02 42.08 2eed s PHE 25 CO 0.00 -0.09 1.60 0.28 0.70 0.00 0.00 175.22 177.71 2eed n VAL 26 N 2.70 0.17 0.00 -0.44 0.31 -1.26 -1.98 118.33 117.83 2eed n VAL 26 Ca -0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2eed n VAL 26 Cb 0.52 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 3.49 1.72 3.59 2.92 0.00 0.90 -4.97 105.19 112.85 2eed n GLY 27 Ca 0.20 -0.12 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 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 1.34 -2.79 1.61 6.02 -0.84 -4.64 117.38 118.08 2eed n GLN 28 Ca 0.00 0.47 -0.43 0.00 -0.01 0.00 0.00 57.00 57.04 2eed n GLN 28 Cb 0.00 -1.91 -0.04 0.00 1.02 0.00 0.00 30.24 29.31 2eed n GLN 28 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2eed s LYS 29 N -1.05 3.24 0.02 -1.09 2.20 -1.26 -4.48 119.74 117.31 2eed s LYS 29 Ca 0.64 -0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 55.54 2eed s LYS 29 Cb -0.75 -4.13 -0.04 0.00 -1.51 0.00 0.00 37.83 31.39 2eed s LYS 29 CO 0.56 -1.72 0.85 -1.12 -0.36 0.00 0.00 175.35 173.57 2eed s SER 30 N 3.29 7.26 0.16 1.43 0.01 -1.04 -4.92 113.70 119.89 2eed s SER 30 Ca 0.29 1.52 0.08 0.00 1.31 0.00 0.00 55.95 59.15 2eed s SER 30 Cb -0.13 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 2eed s SER 30 CO 0.16 -0.12 -0.18 -0.94 0.41 0.00 0.00 173.24 172.57 2eed s SER 31 N 0.49 2.63 -0.24 2.44 1.04 -1.26 -1.67 113.70 117.12 2eed s SER 31 Ca 0.44 -0.85 -0.18 0.00 0.48 0.00 0.00 55.95 55.85 2eed s SER 31 Cb -0.21 -0.15 0.07 0.00 0.10 0.00 0.00 66.02 65.83 2eed s SER 31 CO 0.25 -0.03 0.61 0.72 0.98 0.00 0.00 173.24 175.76 2eed s PHE 32 N -1.99 -0.78 0.01 5.02 -0.71 -0.45 -3.90 117.98 115.18 2eed s PHE 32 Ca 0.15 1.74 0.01 0.00 -1.04 0.00 0.00 56.93 57.78 2eed s PHE 32 Cb -0.06 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 2eed s PHE 32 CO 0.06 -0.39 0.07 -1.17 -1.34 0.00 0.00 175.22 172.45 2eed s LEU 33 N 0.90 3.83 -0.13 -1.99 2.96 -0.60 -2.12 118.68 121.53 2eed s LEU 33 Ca -0.05 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2eed s LEU 33 Cb -0.05 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.36 2eed s LEU 33 CO -0.08 0.25 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.34 2eed s VAL 34 N -1.23 1.72 -0.26 1.68 1.01 -0.92 -0.98 120.40 121.43 2eed s VAL 34 Ca 0.24 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 2eed s VAL 34 Cb -0.12 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2eed s VAL 34 CO 0.15 0.49 0.62 -0.62 0.00 0.00 0.00 175.10 175.74 2eed s ASP 35 N 0.99 6.56 -0.34 3.32 2.15 -0.21 -2.18 116.67 126.96 2eed s ASP 35 Ca -0.05 0.68 0.12 0.00 0.43 0.00 0.00 52.55 53.73 2eed s ASP 35 Cb -0.15 -2.33 0.46 0.00 -0.30 0.00 0.00 42.92 40.60 2eed s ASP 35 CO -0.03 -0.37 1.10 0.00 -0.17 0.00 0.00 175.17 175.70 2eed h SER 37 N 2.57 -0.01 -0.80 0.00 0.87 -1.87 -3.35 113.55 110.97 2eed h SER 37 Ca 0.14 -0.80 -0.55 0.00 -1.23 0.00 0.00 61.79 59.34 2eed h SER 37 Cb 1.21 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.83 2eed h SER 37 CO 0.62 0.81 -0.12 0.29 -0.53 0.00 0.00 176.83 177.90 2eed n LYS 38 N -4.70 3.08 -0.12 2.24 4.76 -1.26 -4.63 118.16 117.52 2eed n LYS 38 Ca -0.09 -3.74 -0.25 0.00 -2.87 0.00 0.00 58.31 51.36 2eed n LYS 38 Cb 0.39 -2.23 -0.08 0.00 -1.84 0.00 0.00 35.03 31.27 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 -0.84 1.36 0.00 7.82 0.00 -1.26 -4.87 120.51 122.72 2eed n ALA 39 Ca 0.50 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2eed n ALA 39 Cb 0.87 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.49 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 1.45 0.74 2.09 0.00 0.00 -1.26 -0.36 105.19 107.85 2eed n GLY 40 Ca -0.46 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 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 6.93 -5.02 1.61 7.64 -1.26 -4.94 113.62 118.59 2eed n SER 41 Ca 0.00 -3.40 -0.19 0.00 1.01 0.00 0.00 58.87 56.30 2eed n SER 41 Cb 0.00 -1.01 0.04 0.00 -1.01 0.00 0.00 64.21 62.22 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 -0.76 5.30 0.05 6.43 0.01 -1.26 -5.05 114.94 119.67 2eed s ASN 42 Ca 0.47 -0.69 -0.02 0.00 -0.71 0.00 0.00 52.86 51.90 2eed s ASN 42 Cb 0.37 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.88 2eed s ASN 42 CO -0.00 -1.09 0.24 0.00 -1.51 0.00 0.00 177.10 174.74 2eed s MET 43 N -4.51 3.49 -0.18 -0.60 0.23 -1.26 -4.92 119.30 111.55 2eed s MET 43 Ca 0.58 -0.31 -0.10 0.00 -1.03 0.00 0.00 55.69 54.83 2eed s MET 43 Cb -0.07 -3.03 -0.05 0.00 -1.53 0.00 0.00 34.83 30.15 2eed s MET 43 CO 0.36 0.61 0.16 -1.17 -2.03 0.00 0.00 175.02 172.94 2eed s LEU 44 N -2.30 4.25 0.10 0.18 2.96 -1.26 -2.20 118.68 120.40 2eed s LEU 44 Ca 0.33 0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 54.57 2eed s LEU 44 Cb -0.13 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2eed s LEU 44 CO 0.24 0.21 0.00 -1.48 -1.32 0.00 0.00 176.35 174.00 2eed s LEU 45 N 0.09 2.19 0.09 -0.68 0.05 -1.20 -5.04 118.68 114.18 2eed s LEU 45 Ca 0.11 -1.09 0.08 0.00 0.05 0.00 0.00 54.13 53.28 2eed s LEU 45 Cb -0.12 0.18 -0.03 0.00 -2.05 0.00 0.00 46.19 44.17 2eed s LEU 45 CO 0.00 -0.63 -0.22 -0.63 -0.55 0.00 0.00 176.35 174.32 2eed s ILE 46 N -3.91 1.80 -0.45 1.48 -1.09 -1.26 -2.96 121.20 114.81 2eed s ILE 46 Ca 0.15 -1.48 0.09 0.00 -2.23 0.00 0.00 60.65 57.18 2eed s ILE 46 Cb 0.07 -1.60 0.31 0.00 -1.58 0.00 0.00 42.46 39.66 2eed s ILE 46 CO -0.04 0.05 0.73 0.61 -1.23 0.00 0.00 174.94 175.06 2eed n GLY 47 N 1.28 3.98 3.67 6.18 0.00 0.73 -4.98 105.19 116.06 2eed n GLY 47 Ca -0.19 -2.01 -0.50 0.00 0.00 0.00 0.00 46.02 43.32 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 0.50 0.30 -3.37 1.61 0.24 -1.26 -3.96 118.33 112.39 2eed n VAL 48 Ca 0.26 -0.05 -0.37 0.00 -2.04 0.00 0.00 64.34 62.13 2eed n VAL 48 Cb 0.55 -1.51 -0.06 0.00 -1.47 0.00 0.00 33.84 31.34 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 2.67 3.71 -0.72 6.34 2.46 -1.24 -4.99 115.29 123.52 2eed s HIS 49 Ca 0.89 1.11 0.03 0.00 0.47 0.00 0.00 55.06 57.57 2eed s HIS 49 Cb -0.80 -2.39 0.31 0.00 -0.13 0.00 0.00 32.58 29.57 2eed s HIS 49 CO 0.50 0.55 1.09 0.41 -2.47 0.00 0.00 174.74 174.82 2eed n GLY 50 N 1.41 5.45 0.17 1.59 0.00 -1.26 -4.74 105.19 107.81 2eed n GLY 50 Ca -0.10 -2.74 -0.00 0.00 0.00 0.00 0.00 46.02 43.18 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 3.73 0.07 0.00 1.61 0.13 -1.96 -3.40 132.00 132.18 2eed h PRO 51 Ca 0.22 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2eed h PRO 51 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2eed h PRO 51 CO 0.93 0.54 -0.51 -2.37 -0.23 0.00 0.00 178.00 176.36 2eed n THR 52 N -3.96 0.40 -3.75 1.56 5.66 -1.26 -5.09 114.28 107.83 2eed n THR 52 Ca -0.02 0.13 -0.12 0.00 -3.05 0.00 0.00 64.05 60.99 2eed n THR 52 Cb 0.51 -1.36 -0.12 0.00 -1.55 0.00 0.00 70.33 67.80 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 -2.00 -0.02 1.07 1.09 -4.23 -1.26 -5.16 115.64 105.13 2eed s THR 53 Ca 0.00 0.09 -0.15 0.00 -1.18 0.00 0.00 61.69 60.45 2eed s THR 53 Cb 0.00 -0.39 0.23 0.00 1.34 0.00 0.00 72.50 73.67 2eed s THR 53 CO 0.00 0.04 1.10 -2.16 -0.54 0.00 0.00 174.62 173.05 2eed s PRO 54 N 0.83 -0.18 0.14 3.99 0.04 -1.26 -4.76 135.00 133.80 2eed s PRO 54 Ca -0.06 0.30 0.03 0.00 0.04 0.00 0.00 61.00 61.31 2eed s PRO 54 Cb -0.07 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2eed s PRO 54 CO -0.05 -3.09 0.23 0.00 0.04 0.00 0.00 177.00 174.12 2eed h GLU 56 N 2.37 0.60 -1.80 0.00 5.08 -1.78 -3.48 114.58 115.57 2eed h GLU 56 Ca -0.48 -0.09 0.28 0.00 -1.00 0.00 0.00 59.36 58.07 2eed h GLU 56 Cb 1.19 -0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.23 2eed h GLU 56 CO 0.68 0.53 0.72 -1.83 -1.00 0.00 0.00 179.01 178.10 2eed s GLU 57 N -5.69 0.68 -0.30 2.33 1.03 -1.26 -5.03 118.70 110.46 2eed s GLU 57 Ca -0.13 -0.38 -0.02 0.00 0.03 0.00 0.00 54.97 54.47 2eed s GLU 57 Cb 0.10 0.23 0.10 0.00 -0.80 0.00 0.00 34.13 33.76 2eed s GLU 57 CO 0.75 -0.31 0.11 0.08 -1.33 0.00 0.00 175.26 174.55 2eed s VAL 58 N -2.65 0.56 -0.45 1.83 1.01 -1.26 -3.81 120.40 115.63 2eed s VAL 58 Ca 0.15 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 2eed s VAL 58 Cb 0.02 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.99 2eed s VAL 58 CO -0.01 -0.69 0.94 -0.44 0.00 0.00 0.00 175.10 174.90 2eed s SER 59 N 1.78 6.53 -0.11 3.32 0.01 -0.42 -4.93 113.70 119.86 2eed s SER 59 Ca 0.09 0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.57 2eed s SER 59 Cb -0.17 -2.46 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 2eed s SER 59 CO -0.29 -1.05 -0.21 -0.04 0.41 0.00 0.00 173.24 172.07 2eed s MET 60 N 3.78 3.15 -0.01 12.44 -1.94 -1.26 -1.81 119.30 133.65 2eed s MET 60 Ca 0.38 -0.82 -0.14 0.00 -1.71 0.00 0.00 55.69 53.40 2eed s MET 60 Cb -0.10 -2.41 0.02 0.00 2.01 0.00 0.00 34.83 34.35 2eed s MET 60 CO 0.26 0.18 0.28 0.15 -0.01 0.00 0.00 175.02 175.88 2eed s LYS 61 N 0.37 0.65 -1.14 2.03 -0.14 -0.30 -5.00 119.74 116.22 2eed s LYS 61 Ca -0.16 -0.25 -0.08 0.00 -1.36 0.00 0.00 55.97 54.12 2eed s LYS 61 Cb -0.17 0.29 0.26 0.00 -1.68 0.00 0.00 37.83 36.52 2eed s LYS 61 CO 0.07 -0.18 1.42 1.58 -0.76 0.00 0.00 175.35 177.49 2eed n HIS 62 N 1.24 3.73 -0.45 3.18 -0.00 -1.26 0.11 115.22 121.78 2eed n HIS 62 Ca -0.22 -3.16 0.39 0.00 -0.00 0.00 0.00 57.72 54.73 2eed n HIS 62 Cb 0.56 -1.64 0.66 0.00 -0.00 0.00 0.00 29.99 29.57 2eed n HIS 62 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.34 175.95 2eed h VAL 63 N 3.71 0.02 0.00 3.57 -1.51 -1.94 -3.47 116.25 116.64 2eed h VAL 63 Ca 0.24 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 2eed h VAL 63 Cb 0.74 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 2eed h VAL 63 CO 1.27 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.22 2eed n GLY 64 N -1.49 0.59 3.37 5.19 0.00 -1.25 -5.01 105.19 106.59 2eed n GLY 64 Ca 0.40 -2.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.06 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 1.18 -3.78 -2.08 1.61 2.85 -1.26 0.69 115.26 114.47 2eed n ASN 65 Ca 0.00 -0.40 -0.19 0.00 -0.11 0.00 0.00 54.58 53.88 2eed n ASN 65 Cb 0.00 -3.13 -0.02 0.00 1.24 0.00 0.00 39.78 37.88 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 -3.75 -1.50 -4.12 1.20 3.00 -1.26 -4.79 117.38 106.16 2eed n GLN 66 Ca -0.02 0.96 -0.23 0.00 -0.01 0.00 0.00 57.00 57.70 2eed n GLN 66 Cb 0.54 -5.49 -0.06 0.00 0.00 0.00 0.00 30.24 25.23 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 -4.77 2.41 -0.10 -1.09 -0.21 0.22 -0.79 119.66 115.32 2eed s GLN 67 Ca 0.00 -1.49 -0.03 0.00 0.02 0.00 0.00 55.36 53.86 2eed s GLN 67 Cb 0.00 -2.21 0.05 0.00 1.00 0.00 0.00 33.01 31.85 2eed s GLN 67 CO 0.00 0.17 0.13 0.71 -2.12 0.00 0.00 175.29 174.18 2eed s TYR 68 N -2.39 -0.06 -0.15 0.91 2.02 -0.93 -3.90 117.35 112.85 2eed s TYR 68 Ca 0.36 0.32 -0.21 0.00 -0.37 0.00 0.00 57.07 57.17 2eed s TYR 68 Cb -0.04 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.09 2eed s TYR 68 CO 0.22 -0.33 0.63 1.21 -1.57 0.00 0.00 175.55 175.72 2eed s ASN 69 N 2.24 6.76 -0.08 2.29 3.04 0.12 -2.17 114.94 127.13 2eed s ASN 69 Ca 0.04 0.92 -0.02 0.00 0.04 0.00 0.00 52.86 53.84 2eed s ASN 69 Cb -0.13 -2.36 0.03 0.00 -1.54 0.00 0.00 41.25 37.26 2eed s ASN 69 CO -0.06 -0.20 0.01 -0.69 -3.04 0.00 0.00 177.10 173.12 2eed s VAL 70 N 1.46 0.32 0.01 -5.21 1.01 -0.90 -1.14 120.40 115.94 2eed s VAL 70 Ca 0.31 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.40 2eed s VAL 70 Cb -0.16 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2eed s VAL 70 CO 0.12 0.19 -0.12 -0.89 0.00 0.00 0.00 175.10 174.40 2eed s THR 71 N 1.99 0.96 0.32 3.92 2.01 -0.75 -1.34 115.64 122.74 2eed s THR 71 Ca 0.04 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.43 2eed s THR 71 Cb -0.13 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2eed s THR 71 CO -0.05 0.17 0.17 -0.72 -0.69 0.00 0.00 174.62 173.50 2eed s TYR 72 N -0.47 1.63 0.01 4.92 -0.85 -0.67 -1.31 117.35 120.61 2eed s TYR 72 Ca 0.03 -1.40 0.01 0.00 -0.52 0.00 0.00 57.07 55.19 2eed s TYR 72 Cb -0.06 -0.86 -0.01 0.00 0.38 0.00 0.00 41.96 41.41 2eed s TYR 72 CO 0.00 -0.55 -0.03 0.08 -1.52 0.00 0.00 175.55 173.53 2eed s VAL 73 N -3.56 0.25 0.21 -3.49 1.01 -1.25 -2.49 120.40 111.08 2eed s VAL 73 Ca 0.35 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.05 2eed s VAL 73 Cb 0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 2eed s VAL 73 CO 0.18 -0.07 -0.10 0.68 0.00 0.00 0.00 175.10 175.80 2eed s VAL 74 N -0.41 1.49 0.00 2.92 -7.23 -1.26 -1.94 120.40 113.96 2eed s VAL 74 Ca -0.03 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 2eed s VAL 74 Cb -0.03 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.79 2eed s VAL 74 CO -0.00 -0.54 0.00 0.29 -0.31 0.00 0.00 175.10 174.54 2eed n LYS 75 N -0.38 1.03 -4.14 4.82 4.01 -1.26 -0.07 118.16 122.16 2eed n LYS 75 Ca -0.08 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.47 2eed n LYS 75 Cb 0.61 -0.93 -0.06 0.00 -0.51 0.00 0.00 35.03 34.15 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 -1.71 2.71 0.41 1.97 2.56 -1.26 -4.76 118.70 118.61 2eed s GLU 76 Ca 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 54.97 53.99 2eed s GLU 76 Cb 0.00 -2.51 0.03 0.00 2.00 0.00 0.00 34.13 33.64 2eed s GLU 76 CO 0.00 0.45 0.21 2.89 -0.56 0.00 0.00 175.26 178.25 2eed n ARG 77 N -0.44 0.93 0.00 4.30 1.85 -1.26 -4.75 116.66 117.29 2eed n ARG 77 Ca -0.09 -2.69 0.00 0.00 -1.00 0.00 0.00 57.85 54.07 2eed n ARG 77 Cb 0.56 0.44 0.00 0.00 -1.05 0.00 0.00 32.46 32.40 2eed n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2eed n GLY 78 N 0.08 0.36 3.59 2.89 0.00 -0.80 -4.93 105.19 106.38 2eed n GLY 78 Ca -0.06 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 2eed n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2eed s ASP 79 N -4.00 5.16 0.34 1.61 2.15 -1.26 -1.21 116.67 119.46 2eed s ASP 79 Ca 0.00 0.01 0.07 0.00 0.43 0.00 0.00 52.55 53.06 2eed s ASP 79 Cb 0.00 -1.75 -0.07 0.00 -0.30 0.00 0.00 42.92 40.81 2eed s ASP 79 CO 0.00 0.23 -0.01 -0.31 -0.17 0.00 0.00 175.17 174.91 2eed s TYR 80 N -0.00 2.21 -0.07 -5.34 1.51 0.13 -4.89 117.35 110.90 2eed s TYR 80 Ca 0.03 -0.72 -0.03 0.00 -1.01 0.00 0.00 57.07 55.34 2eed s TYR 80 Cb -0.13 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.35 2eed s TYR 80 CO 0.02 0.32 0.08 0.08 -1.11 0.00 0.00 175.55 174.94 2eed s VAL 81 N -2.92 -0.13 -0.30 0.71 1.01 -1.26 -3.25 120.40 114.26 2eed s VAL 81 Ca 0.33 0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.54 2eed s VAL 81 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 2eed s VAL 81 CO 0.15 0.11 0.16 -0.22 0.00 0.00 0.00 175.10 175.30 2eed s LEU 82 N 2.18 4.02 -0.36 3.92 2.96 -1.18 -3.66 118.68 126.57 2eed s LEU 82 Ca 0.04 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.58 2eed s LEU 82 Cb -0.13 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.56 2eed s LEU 82 CO -0.04 -0.13 0.15 0.00 -1.32 0.00 0.00 176.35 175.00 2eed s ALA 83 N 1.67 3.12 -0.11 5.97 0.00 -1.25 -2.14 121.76 129.01 2eed s ALA 83 Ca 0.06 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.23 2eed s ALA 83 Cb -0.16 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 2eed s ALA 83 CO 0.08 -1.40 -0.18 0.08 0.00 0.00 0.00 175.76 174.34 2eed s VAL 84 N 1.43 2.63 0.21 0.00 1.01 -1.26 -0.19 120.40 124.22 2eed s VAL 84 Ca -0.00 -0.82 0.11 0.00 0.00 0.00 0.00 61.98 61.27 2eed s VAL 84 Cb -0.20 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2eed s VAL 84 CO 0.03 0.54 -0.19 -0.54 0.00 0.00 0.00 175.10 174.94 2eed s LYS 85 N 0.31 1.69 -0.42 2.72 1.02 -1.15 -2.74 119.74 121.16 2eed s LYS 85 Ca -0.14 -1.52 0.02 0.00 0.02 0.00 0.00 55.97 54.35 2eed s LYS 85 Cb -0.17 -1.91 0.14 0.00 -0.52 0.00 0.00 37.83 35.38 2eed s LYS 85 CO 0.07 0.39 0.25 -0.46 -0.92 0.00 0.00 175.35 174.68 2eed s TRP 86 N -1.86 1.54 -0.65 3.18 -0.11 -0.05 -3.28 118.94 117.71 2eed s TRP 86 Ca 0.24 -2.18 -0.07 0.00 1.22 0.00 0.00 56.10 55.31 2eed s TRP 86 Cb -0.07 -1.51 0.01 0.00 -1.50 0.00 0.00 33.47 30.40 2eed s TRP 86 CO 0.12 -0.79 0.66 0.41 -4.62 0.00 0.00 176.95 172.73 2eed n GLY 87 N 3.59 -1.19 3.11 5.86 0.00 -0.94 -3.17 105.19 112.46 2eed n GLY 87 Ca 0.12 0.75 -0.23 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.36 -5.19 -4.08 1.61 1.02 -1.26 -4.97 120.64 106.41 2eed n GLU 88 Ca -0.01 0.88 -0.13 0.00 -0.02 0.00 0.00 57.16 57.88 2eed n GLU 88 Cb 0.52 -5.76 -0.05 0.00 -0.02 0.00 0.00 31.44 26.13 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 -5.80 1.80 -0.18 3.49 2.02 -1.19 -5.13 118.70 113.71 2eed s GLU 89 Ca 0.35 -1.65 -0.01 0.00 0.02 0.00 0.00 54.97 53.68 2eed s GLU 89 Cb -0.15 0.44 0.05 0.00 0.10 0.00 0.00 34.13 34.56 2eed s GLU 89 CO 0.43 -0.74 -0.04 -1.01 0.02 0.00 0.00 175.26 173.91 2eed s HIS 90 N -3.29 1.75 0.56 1.61 3.76 -1.26 -0.87 115.29 117.54 2eed s HIS 90 Ca 0.29 -1.17 -0.18 0.00 -0.15 0.00 0.00 55.06 53.85 2eed s HIS 90 Cb -0.00 -1.33 -0.11 0.00 1.11 0.00 0.00 32.58 32.25 2eed s HIS 90 CO 0.18 -0.64 0.25 0.44 -0.85 0.00 0.00 174.74 174.12 2eed n ILE 91 N 4.86 1.34 -2.06 0.60 -5.35 -1.11 -4.75 119.36 112.89 2eed n ILE 91 Ca -0.12 -0.49 -0.41 0.00 -0.27 0.00 0.00 62.75 61.46 2eed n ILE 91 Cb 0.47 -0.42 -0.03 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.72 3.03 0.00 6.28 0.04 -1.26 -2.74 135.00 138.63 2eed s PRO 92 Ca 0.63 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2eed s PRO 92 Cb -0.45 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 29.82 2eed s PRO 92 CO 0.60 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.81 2eed n GLY 93 N 5.51 1.01 3.89 0.56 0.00 -1.26 -5.00 105.19 109.90 2eed n GLY 93 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.54 6.51 0.18 1.61 0.15 -1.11 -3.16 113.70 117.34 2eed s SER 94 Ca 0.00 0.64 -0.30 0.00 0.70 0.00 0.00 55.95 56.98 2eed s SER 94 Cb 0.00 -2.11 -0.08 0.00 -1.71 0.00 0.00 66.02 62.12 2eed s SER 94 CO 0.00 0.03 1.32 -2.16 1.20 0.00 0.00 173.24 173.63 2eed s PRO 95 N -2.68 4.38 0.60 5.44 0.04 -1.26 -4.96 135.00 136.56 2eed s PRO 95 Ca 0.42 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.37 2eed s PRO 95 Cb -0.12 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2eed s PRO 95 CO 0.24 -0.28 1.02 -0.06 0.04 0.00 0.00 177.00 177.96 2eed s PHE 96 N 0.34 3.44 -0.38 0.56 0.08 -0.91 -4.90 117.98 116.21 2eed s PHE 96 Ca 0.58 1.38 -0.10 0.00 0.12 0.00 0.00 56.93 58.91 2eed s PHE 96 Cb -0.36 -2.79 0.04 0.00 -0.57 0.00 0.00 43.02 39.34 2eed s PHE 96 CO 0.36 -0.72 0.21 -1.58 -0.10 0.00 0.00 175.22 173.39 2eed s HIS 97 N -2.94 3.26 -0.32 0.36 5.65 -1.26 -3.12 115.29 116.92 2eed s HIS 97 Ca 0.57 -1.09 -0.06 0.00 0.25 0.00 0.00 55.06 54.73 2eed s HIS 97 Cb -0.12 -2.51 0.03 0.00 -1.18 0.00 0.00 32.58 28.81 2eed s HIS 97 CO 0.46 -0.69 0.09 0.08 -0.65 0.00 0.00 174.74 174.03 2eed s VAL 98 N 1.52 3.76 -0.17 0.89 1.01 -1.20 -4.57 120.40 121.64 2eed s VAL 98 Ca 0.02 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 2eed s VAL 98 Cb -0.20 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2eed s VAL 98 CO 0.06 -0.08 0.19 -0.89 0.00 0.00 0.00 175.10 174.38 2eed s THR 99 N 1.42 5.38 -0.12 3.92 2.01 -1.24 -0.69 115.64 126.31 2eed s THR 99 Ca -0.00 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.33 2eed s THR 99 Cb -0.19 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2eed s THR 99 CO 0.02 0.46 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.57 2eed s VAL 100 N 0.13 2.89 -2.00 3.82 1.01 -0.35 -2.68 120.40 123.23 2eed s VAL 100 Ca 0.12 -0.72 0.16 0.00 0.00 0.00 0.00 61.98 61.53 2eed s VAL 100 Cb -0.12 -2.19 0.45 0.00 0.00 0.00 0.00 36.38 34.51 2eed s VAL 100 CO 0.01 0.53 1.35 -0.81 0.00 0.00 0.00 175.10 176.18