#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 4.09 0.11 1.61 1.04 -1.26 -5.15 113.70 114.15 2eed s SER 2 Ca 0.00 -1.19 0.07 0.00 0.48 0.00 0.00 55.95 55.31 2eed s SER 2 Cb 0.00 -0.45 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 2eed s SER 2 CO 0.00 -0.41 -0.08 -0.94 0.98 0.00 0.00 173.24 172.78 2eed s SER 3 N -3.76 4.48 -0.32 7.02 1.04 -1.26 -5.08 113.70 115.82 2eed s SER 3 Ca 0.37 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.13 2eed s SER 3 Cb 0.05 -0.88 -0.00 0.00 0.10 0.00 0.00 66.02 65.29 2eed s SER 3 CO 0.20 0.17 1.39 -0.83 0.98 0.00 0.00 173.24 175.14 2eed s GLY 4 N -2.30 1.27 -0.46 7.32 0.00 -1.26 -4.98 107.32 106.92 2eed s GLY 4 Ca 0.22 0.10 -0.10 0.00 0.00 0.00 0.00 44.72 44.94 2eed s GLY 4 CO 0.15 2.71 0.33 -0.56 0.00 0.00 0.00 173.10 175.73 2eed s SER 5 N 3.38 5.76 0.30 1.64 0.01 -1.26 -5.04 113.70 118.49 2eed s SER 5 Ca 0.60 -1.69 -0.04 0.00 1.31 0.00 0.00 55.95 56.13 2eed s SER 5 Cb -0.17 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 2eed s SER 5 CO 0.27 -0.64 0.41 -0.44 0.41 0.00 0.00 173.24 173.24 2eed s SER 6 N 2.53 0.66 -0.21 2.44 0.01 -1.26 -5.04 113.70 112.83 2eed s SER 6 Ca 0.04 -1.38 -0.07 0.00 1.31 0.00 0.00 55.95 55.86 2eed s SER 6 Cb -0.25 0.60 0.01 0.00 0.21 0.00 0.00 66.02 66.58 2eed s SER 6 CO 0.01 -1.18 0.28 0.61 0.41 0.00 0.00 173.24 173.38 2eed n GLY 7 N -0.49 -0.95 3.03 3.44 0.00 -1.26 -4.71 105.19 104.25 2eed n GLY 7 Ca 0.01 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 2eed n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eed n SER 8 N -0.51 -0.09 -4.36 1.61 3.41 -1.26 -4.54 113.62 107.88 2eed n SER 8 Ca 0.05 0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.26 2eed n SER 8 Cb 0.24 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.37 2eed n SER 8 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2eed s SER 9 N 6.03 5.77 -0.06 4.04 1.04 -1.26 -4.27 113.70 124.99 2eed s SER 9 Ca 1.17 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2eed s SER 9 Cb -1.01 -2.04 -0.03 0.00 0.10 0.00 0.00 66.02 63.04 2eed s SER 9 CO 0.44 -0.44 -0.03 -1.81 0.98 0.00 0.00 173.24 172.38 2eed s ASP 10 N 1.75 4.98 -0.13 7.02 1.11 -1.19 -5.01 116.67 125.20 2eed s ASP 10 Ca 0.02 0.04 0.15 0.00 0.18 0.00 0.00 52.55 52.95 2eed s ASP 10 Cb -0.20 -1.32 -0.24 0.00 1.07 0.00 0.00 42.92 42.22 2eed s ASP 10 CO 0.06 0.35 0.35 0.00 1.18 0.00 0.00 175.17 177.11 2eed n ALA 11 N 1.99 1.50 0.32 5.23 0.00 -1.26 -4.08 120.51 124.21 2eed n ALA 11 Ca -0.17 -1.07 0.20 0.00 0.00 0.00 0.00 53.44 52.40 2eed n ALA 11 Cb 0.53 -0.50 1.08 0.00 0.00 0.00 0.00 19.45 20.57 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 0.00 0.00 0.86 0.00 0.02 -1.95 -0.69 113.55 111.80 2eed h SER 12 Ca -0.43 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.37 2eed h SER 12 Cb 2.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.65 2eed h SER 12 CO 0.05 0.01 -1.22 0.11 -1.14 0.00 0.00 176.83 174.64 2eed h LYS 13 N 0.00 0.00 -6.68 3.45 1.79 -1.90 -3.45 116.57 109.79 2eed h LYS 13 Ca -0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2eed h LYS 13 Cb 0.07 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.78 2eed h LYS 13 CO 0.00 0.35 0.94 0.28 -1.08 0.00 0.00 179.45 179.94 2eed n VAL 14 N -2.97 0.34 -4.82 0.50 0.31 -0.26 -4.57 118.33 106.85 2eed n VAL 14 Ca -0.07 -0.08 -0.30 0.00 -0.01 0.00 0.00 64.34 63.87 2eed n VAL 14 Cb 0.82 -1.92 -0.14 0.00 -0.91 0.00 0.00 33.84 31.69 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 0.76 2.22 0.02 2.52 -4.23 -0.88 -4.67 115.64 111.37 2eed s THR 15 Ca 0.72 -1.41 0.05 0.00 -1.18 0.00 0.00 61.69 59.86 2eed s THR 15 Cb -0.52 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 2eed s THR 15 CO 0.38 0.33 -0.15 -0.94 -0.54 0.00 0.00 174.62 173.71 2eed s SER 16 N -1.35 1.71 0.09 3.99 1.04 -1.26 -0.26 113.70 117.66 2eed s SER 16 Ca 0.12 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.19 2eed s SER 16 Cb -0.10 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 2eed s SER 16 CO 0.03 0.10 -0.05 -1.59 0.98 0.00 0.00 173.24 172.71 2eed s LYS 17 N -0.78 0.81 0.00 4.02 -2.85 -0.14 -5.01 119.74 115.79 2eed s LYS 17 Ca 0.04 -1.33 0.00 0.00 -1.00 0.00 0.00 55.97 53.68 2eed s LYS 17 Cb -0.07 -0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.60 2eed s LYS 17 CO 0.00 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.81 2eed n GLY 18 N -0.03 2.35 0.10 0.59 0.00 -1.26 -1.63 105.19 105.31 2eed n GLY 18 Ca -0.12 -2.02 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 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 0.03 -1.42 4.61 0.00 -1.86 -3.33 119.26 117.28 2eed h ALA 19 Ca 0.00 -0.75 0.45 0.00 0.00 0.00 0.00 54.91 54.62 2eed h ALA 19 Cb 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 2eed h ALA 19 CO 0.00 0.34 0.95 0.78 0.00 0.00 0.00 179.25 181.32 2eed h GLY 20 N -0.63 1.00 1.17 0.00 0.00 -1.57 1.17 103.07 104.21 2eed h GLY 20 Ca -0.14 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 2eed h GLY 20 CO 0.03 -0.31 -0.35 1.41 0.00 0.00 0.00 176.54 177.33 2eed h LEU 21 N 0.07 0.97 0.00 3.11 3.38 -1.84 -3.35 115.31 117.65 2eed h LEU 21 Ca 0.82 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2eed h LEU 21 Cb 2.76 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 43.23 2eed h LEU 21 CO -0.32 1.21 -0.17 -1.28 0.09 0.00 0.00 178.44 177.96 2eed h SER 22 N 0.76 0.00 -5.06 -0.43 0.87 0.97 -3.42 113.55 107.24 2eed h SER 22 Ca 0.07 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 2eed h SER 22 Cb 0.93 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.75 2eed h SER 22 CO 0.09 0.71 -0.05 -1.59 -0.53 0.00 0.00 176.83 175.45 2eed s LYS 23 N -1.86 1.06 0.42 2.24 -2.85 0.16 -3.81 119.74 115.09 2eed s LYS 23 Ca -0.08 -0.62 0.04 0.00 -1.00 0.00 0.00 55.97 54.31 2eed s LYS 23 Cb 0.00 0.47 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 2eed s LYS 23 CO 0.21 -0.41 0.15 0.00 0.10 0.00 0.00 175.35 175.40 2eed s ALA 24 N -3.56 2.95 -0.00 0.59 0.00 -0.88 -3.26 121.76 117.59 2eed s ALA 24 Ca 0.01 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.78 2eed s ALA 24 Cb 0.01 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.94 2eed s ALA 24 CO -0.10 -0.36 -0.02 -0.06 0.00 0.00 0.00 175.76 175.22 2eed s PHE 25 N -3.19 0.18 0.20 0.00 0.40 -1.26 -4.02 117.98 110.28 2eed s PHE 25 Ca 0.23 -0.03 -0.32 0.00 -0.60 0.00 0.00 56.93 56.21 2eed s PHE 25 Cb 0.02 -0.13 -0.12 0.00 0.51 0.00 0.00 43.02 43.30 2eed s PHE 25 CO 0.16 -0.01 1.71 0.28 0.70 0.00 0.00 175.22 178.06 2eed n VAL 26 N 3.07 0.01 0.00 -0.44 0.31 -1.26 -2.55 118.33 117.47 2eed n VAL 26 Ca -0.13 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2eed n VAL 26 Cb 0.59 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 3.91 1.73 3.11 2.92 0.00 -0.93 -4.97 105.19 110.95 2eed n GLY 27 Ca 0.16 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.80 -4.00 1.61 6.02 -1.06 -4.86 117.38 112.28 2eed n GLN 28 Ca 0.00 -0.83 -0.33 0.00 -0.01 0.00 0.00 57.00 55.84 2eed n GLN 28 Cb 0.00 -1.62 -0.14 0.00 1.02 0.00 0.00 30.24 29.49 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 -3.86 2.16 -0.20 -1.09 2.20 -1.26 -4.47 119.74 113.22 2eed s LYS 29 Ca 0.47 -1.43 -0.19 0.00 -0.36 0.00 0.00 55.97 54.45 2eed s LYS 29 Cb -0.09 -3.05 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 2eed s LYS 29 CO 0.44 -0.67 0.54 -1.12 -0.36 0.00 0.00 175.35 174.18 2eed s SER 30 N 1.15 6.59 0.25 1.43 0.01 -0.98 -4.96 113.70 117.19 2eed s SER 30 Ca -0.04 0.71 0.10 0.00 1.31 0.00 0.00 55.95 58.03 2eed s SER 30 Cb -0.20 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 2eed s SER 30 CO -0.04 -0.20 -0.17 -0.94 0.41 0.00 0.00 173.24 172.30 2eed s SER 31 N 1.16 3.13 -0.25 2.44 1.04 -1.26 -1.36 113.70 118.60 2eed s SER 31 Ca 0.25 -1.03 -0.26 0.00 0.48 0.00 0.00 55.95 55.39 2eed s SER 31 Cb -0.16 -0.23 0.09 0.00 0.10 0.00 0.00 66.02 65.83 2eed s SER 31 CO 0.10 -0.06 0.86 0.72 0.98 0.00 0.00 173.24 175.83 2eed s PHE 32 N -2.72 -0.63 0.09 5.02 -0.71 -0.94 -3.43 117.98 114.65 2eed s PHE 32 Ca 0.27 1.50 0.05 0.00 -1.04 0.00 0.00 56.93 57.71 2eed s PHE 32 Cb -0.03 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 2eed s PHE 32 CO 0.11 -0.33 -0.02 -1.17 -1.34 0.00 0.00 175.22 172.47 2eed s LEU 33 N 0.14 3.39 -0.06 -1.99 2.96 -0.64 -1.71 118.68 120.77 2eed s LEU 33 Ca 0.00 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2eed s LEU 33 Cb -0.04 -2.14 0.01 0.00 0.50 0.00 0.00 46.19 44.52 2eed s LEU 33 CO -0.01 0.17 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.37 2eed s VAL 34 N -1.30 1.21 -0.27 1.68 1.01 -1.00 -0.97 120.40 120.76 2eed s VAL 34 Ca 0.25 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 2eed s VAL 34 Cb -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2eed s VAL 34 CO 0.18 0.37 0.13 -0.62 0.00 0.00 0.00 175.10 175.15 2eed s ASP 35 N 0.54 5.53 -0.09 3.32 -1.08 0.64 -2.02 116.67 123.51 2eed s ASP 35 Ca -0.13 -0.16 0.15 0.00 -0.52 0.00 0.00 52.55 51.89 2eed s ASP 35 Cb -0.15 -2.01 0.51 0.00 -1.46 0.00 0.00 42.92 39.81 2eed s ASP 35 CO 0.04 -0.06 1.43 0.00 0.52 0.00 0.00 175.17 177.10 2eed h SER 37 N 2.60 -1.43 0.51 0.00 0.02 -1.91 -0.55 113.55 112.79 2eed h SER 37 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2eed h SER 37 Cb 1.19 0.49 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2eed h SER 37 CO 0.15 -0.62 0.00 0.11 -1.14 0.00 0.00 176.83 175.33 2eed h LYS 38 N -0.90 0.00 0.07 3.45 1.57 -1.86 -3.23 116.57 115.67 2eed h LYS 38 Ca -0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2eed h LYS 38 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2eed h LYS 38 CO -0.14 0.00 -0.03 0.00 -0.57 0.00 0.00 179.45 178.71 2eed h ALA 39 N 2.16 -0.58 0.00 3.86 0.00 -1.37 -3.46 119.26 119.86 2eed h ALA 39 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2eed h ALA 39 Cb 0.25 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2eed h ALA 39 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.08 2eed n GLY 40 N 0.27 -0.80 3.15 0.00 0.00 -0.79 -3.17 105.19 103.85 2eed n GLY 40 Ca -0.01 0.30 0.05 0.00 0.00 0.00 0.00 46.02 46.36 2eed n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eed s SER 41 N -4.00 -0.57 0.29 1.61 0.01 -1.26 -4.91 113.70 104.86 2eed s SER 41 Ca 0.00 0.28 -0.17 0.00 1.31 0.00 0.00 55.95 57.37 2eed s SER 41 Cb 0.00 1.45 0.06 0.00 0.21 0.00 0.00 66.02 67.74 2eed s SER 41 CO 0.00 -0.11 0.84 -3.20 0.41 0.00 0.00 173.24 171.18 2eed n ASN 42 N 5.39 -1.95 -4.81 2.44 2.85 -1.26 -4.75 115.26 113.18 2eed n ASN 42 Ca -0.03 -2.24 -0.36 0.00 -0.11 0.00 0.00 54.58 51.85 2eed n ASN 42 Cb 0.54 3.22 -0.07 0.00 1.24 0.00 0.00 39.78 44.71 2eed n ASN 42 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2eed s MET 43 N -2.07 3.81 -0.36 1.20 0.23 -1.26 -4.98 119.30 115.88 2eed s MET 43 Ca 0.18 -0.17 -0.14 0.00 -1.03 0.00 0.00 55.69 54.53 2eed s MET 43 Cb -0.04 -3.30 -0.01 0.00 -1.53 0.00 0.00 34.83 29.95 2eed s MET 43 CO 0.09 0.54 0.28 -1.17 -2.03 0.00 0.00 175.02 172.73 2eed s LEU 44 N -0.34 4.65 0.31 0.18 2.96 -1.26 -3.00 118.68 122.18 2eed s LEU 44 Ca 0.12 -0.51 0.11 0.00 -0.22 0.00 0.00 54.13 53.63 2eed s LEU 44 Cb -0.12 -2.18 -0.06 0.00 0.50 0.00 0.00 46.19 44.34 2eed s LEU 44 CO 0.01 -0.31 -0.15 -1.48 -1.32 0.00 0.00 176.35 173.10 2eed s LEU 45 N 1.77 2.66 0.11 -0.68 -0.00 -1.23 -5.08 118.68 116.25 2eed s LEU 45 Ca 0.07 -1.10 0.07 0.00 -0.00 0.00 0.00 54.13 53.16 2eed s LEU 45 Cb -0.18 -1.06 -0.04 0.00 -0.00 0.00 0.00 46.19 44.92 2eed s LEU 45 CO 0.11 -0.07 -0.16 -0.63 -0.00 0.00 0.00 176.35 175.59 2eed s ILE 46 N -2.55 1.46 -0.40 1.48 -1.09 -1.26 -2.99 121.20 115.84 2eed s ILE 46 Ca 0.31 -1.62 0.12 0.00 -2.23 0.00 0.00 60.65 57.23 2eed s ILE 46 Cb -0.02 -1.49 0.37 0.00 -1.58 0.00 0.00 42.46 39.75 2eed s ILE 46 CO 0.16 -0.27 0.83 0.61 -1.23 0.00 0.00 174.94 175.04 2eed n GLY 47 N 0.79 3.67 3.45 6.18 0.00 -1.01 -5.03 105.19 113.25 2eed n GLY 47 Ca -0.17 -1.85 -0.48 0.00 0.00 0.00 0.00 46.02 43.51 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 0.09 1.81 -1.58 1.61 0.24 -1.26 -4.60 118.33 114.64 2eed n VAL 48 Ca 0.24 -0.45 -0.33 0.00 -2.04 0.00 0.00 64.34 61.76 2eed n VAL 48 Cb 0.65 -0.22 0.07 0.00 -1.47 0.00 0.00 33.84 32.86 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 -0.91 2.49 -0.42 6.34 -3.43 -1.26 -4.99 115.29 113.12 2eed s HIS 49 Ca 0.65 1.57 0.09 0.00 -0.80 0.00 0.00 55.06 56.57 2eed s HIS 49 Cb -0.91 -3.20 0.35 0.00 -1.43 0.00 0.00 32.58 27.39 2eed s HIS 49 CO 0.57 -1.89 1.05 0.41 -2.00 0.00 0.00 174.74 172.87 2eed n GLY 50 N -0.47 1.51 0.09 -1.38 0.00 -1.26 -4.41 105.19 99.26 2eed n GLY 50 Ca 0.11 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 2.86 0.17 0.00 1.61 0.13 -2.00 -3.45 132.00 131.32 2eed h PRO 51 Ca -0.08 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2eed h PRO 51 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2eed h PRO 51 CO 0.22 0.61 -0.14 -2.37 -0.23 0.00 0.00 178.00 176.09 2eed n THR 52 N -4.71 0.31 -3.92 1.56 5.66 -1.26 -5.01 114.28 106.90 2eed n THR 52 Ca -0.07 0.10 -0.30 0.00 -3.05 0.00 0.00 64.05 60.73 2eed n THR 52 Cb 0.30 -0.91 -0.14 0.00 -1.55 0.00 0.00 70.33 68.03 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 2.25 1.24 1.09 -4.23 -1.26 -5.11 115.64 107.61 2eed s THR 53 Ca 0.00 -2.87 -0.20 0.00 -1.18 0.00 0.00 61.69 57.43 2eed s THR 53 Cb 0.00 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.55 2eed s THR 53 CO 0.00 -0.76 1.11 -2.16 -0.54 0.00 0.00 174.62 172.27 2eed s PRO 54 N 0.19 -1.52 0.55 3.99 0.04 -1.26 -4.92 135.00 132.06 2eed s PRO 54 Ca 0.15 -0.17 -0.16 0.00 0.04 0.00 0.00 61.00 60.86 2eed s PRO 54 Cb -0.24 -1.57 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 2eed s PRO 54 CO -0.03 -3.89 1.02 0.00 0.04 0.00 0.00 177.00 174.14 2eed h GLU 56 N 0.72 1.02 -2.05 0.00 4.39 -1.81 -3.47 114.58 113.38 2eed h GLU 56 Ca -0.47 -0.15 0.26 0.00 0.34 0.00 0.00 59.36 59.34 2eed h GLU 56 Cb 1.20 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 29.59 2eed h GLU 56 CO 0.59 0.81 0.72 -1.83 -1.16 0.00 0.00 179.01 178.14 2eed s GLU 57 N -5.69 0.79 -0.16 2.33 1.03 -1.26 -5.03 118.70 110.70 2eed s GLU 57 Ca -0.13 -0.47 -0.04 0.00 0.03 0.00 0.00 54.97 54.36 2eed s GLU 57 Cb 0.14 0.24 0.07 0.00 -0.80 0.00 0.00 34.13 33.79 2eed s GLU 57 CO 0.81 -0.37 0.16 0.08 -1.33 0.00 0.00 175.26 174.61 2eed s VAL 58 N -2.44 -0.23 -0.47 1.83 1.01 -1.26 -3.73 120.40 115.12 2eed s VAL 58 Ca 0.19 -0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 2eed s VAL 58 Cb 0.01 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.90 2eed s VAL 58 CO 0.00 -0.13 0.55 -0.55 0.00 0.00 0.00 175.10 174.97 2eed s SER 59 N 2.25 6.21 -0.21 3.32 0.15 0.74 -4.96 113.70 121.21 2eed s SER 59 Ca 0.04 -0.86 -0.03 0.00 0.70 0.00 0.00 55.95 55.80 2eed s SER 59 Cb -0.15 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2eed s SER 59 CO -0.09 -0.77 -0.08 -0.04 1.20 0.00 0.00 173.24 173.46 2eed s MET 60 N 2.39 3.24 -0.03 5.44 -1.94 -1.26 -1.28 119.30 125.85 2eed s MET 60 Ca 0.13 -0.71 -0.03 0.00 -1.71 0.00 0.00 55.69 53.37 2eed s MET 60 Cb -0.19 -2.91 0.01 0.00 2.01 0.00 0.00 34.83 33.75 2eed s MET 60 CO 0.12 -0.22 0.09 0.15 -0.01 0.00 0.00 175.02 175.15 2eed s LYS 61 N 1.42 0.12 -1.22 2.03 -0.14 -0.20 -5.00 119.74 116.75 2eed s LYS 61 Ca 0.05 0.12 -0.14 0.00 -1.36 0.00 0.00 55.97 54.64 2eed s LYS 61 Cb -0.14 0.06 0.16 0.00 -1.68 0.00 0.00 37.83 36.22 2eed s LYS 61 CO -0.06 -0.01 1.48 -1.58 -0.76 0.00 0.00 175.35 174.42 2eed s HIS 62 N 0.02 3.41 0.59 3.18 5.65 -1.26 0.21 115.29 127.09 2eed s HIS 62 Ca -0.00 -2.08 0.33 0.00 0.25 0.00 0.00 55.06 53.55 2eed s HIS 62 Cb -0.01 -4.38 1.29 0.00 -1.18 0.00 0.00 32.58 28.31 2eed s HIS 62 CO 0.00 -1.45 1.58 -0.39 -0.65 0.00 0.00 174.74 173.83 2eed h VAL 63 N 4.77 0.15 0.00 0.89 -1.51 -1.86 -3.47 116.25 115.23 2eed h VAL 63 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 2eed h VAL 63 Cb 0.87 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 2eed h VAL 63 CO 1.28 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.23 2eed n GLY 64 N -1.70 -0.34 2.65 5.19 0.00 -1.15 -4.98 105.19 104.87 2eed n GLY 64 Ca 0.23 -2.26 -0.17 0.00 0.00 0.00 0.00 46.02 43.82 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 -4.45 -1.37 1.61 4.13 -1.26 0.15 115.26 114.08 2eed n ASN 65 Ca 0.00 0.01 -0.13 0.00 1.68 0.00 0.00 54.58 56.14 2eed n ASN 65 Cb 0.00 -3.72 -0.02 0.00 -1.54 0.00 0.00 39.78 34.50 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 -3.13 -1.02 -4.94 3.52 3.00 -1.26 -4.90 117.38 108.64 2eed n GLN 66 Ca -0.14 0.75 -0.32 0.00 -0.01 0.00 0.00 57.00 57.28 2eed n GLN 66 Cb 0.61 -4.94 -0.15 0.00 0.00 0.00 0.00 30.24 25.77 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 -4.18 2.97 -0.23 -1.09 -0.21 0.12 -2.41 119.66 114.63 2eed s GLN 67 Ca 0.00 -0.75 -0.01 0.00 0.02 0.00 0.00 55.36 54.62 2eed s GLN 67 Cb 0.00 -2.45 0.02 0.00 1.00 0.00 0.00 33.01 31.59 2eed s GLN 67 CO 0.00 0.35 -0.09 0.71 -2.12 0.00 0.00 175.29 174.14 2eed s TYR 68 N -0.02 3.01 -0.29 0.91 2.02 -0.86 -2.51 117.35 119.62 2eed s TYR 68 Ca -0.05 -1.55 -0.22 0.00 -0.37 0.00 0.00 57.07 54.88 2eed s TYR 68 Cb -0.14 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.38 2eed s TYR 68 CO 0.04 -0.73 0.74 1.21 -1.57 0.00 0.00 175.55 175.24 2eed s ASN 69 N 1.32 6.64 -0.26 2.29 3.04 0.13 -2.38 114.94 125.72 2eed s ASN 69 Ca 0.01 0.67 0.01 0.00 0.04 0.00 0.00 52.86 53.59 2eed s ASN 69 Cb -0.16 -2.38 0.07 0.00 -1.54 0.00 0.00 41.25 37.24 2eed s ASN 69 CO -0.06 -0.54 -0.01 -0.69 -3.04 0.00 0.00 177.10 172.76 2eed s VAL 70 N 2.80 1.56 -0.03 -5.21 1.01 -0.70 -1.03 120.40 118.80 2eed s VAL 70 Ca 0.30 -1.44 0.06 0.00 0.00 0.00 0.00 61.98 60.91 2eed s VAL 70 Cb -0.15 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2eed s VAL 70 CO 0.11 -0.27 -0.21 -0.89 0.00 0.00 0.00 175.10 173.84 2eed s THR 71 N 1.34 2.47 0.29 3.92 2.01 -0.41 -2.22 115.64 123.05 2eed s THR 71 Ca -0.01 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.08 2eed s THR 71 Cb -0.19 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 2eed s THR 71 CO -0.09 0.58 0.19 -0.72 -0.69 0.00 0.00 174.62 173.89 2eed s TYR 72 N -0.62 1.57 -0.12 4.92 -0.85 -0.46 -0.18 117.35 121.59 2eed s TYR 72 Ca 0.10 -1.47 -0.03 0.00 -0.52 0.00 0.00 57.07 55.14 2eed s TYR 72 Cb -0.10 -0.76 0.05 0.00 0.38 0.00 0.00 41.96 41.52 2eed s TYR 72 CO -0.00 -0.65 0.07 0.08 -1.52 0.00 0.00 175.55 173.52 2eed s VAL 73 N -3.65 0.02 -0.34 -3.49 1.01 -1.24 -2.31 120.40 110.39 2eed s VAL 73 Ca 0.38 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 2eed s VAL 73 Cb 0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 2eed s VAL 73 CO 0.20 -0.07 0.58 0.68 0.00 0.00 0.00 175.10 176.49 2eed s VAL 74 N 2.10 4.95 -0.65 2.92 -7.23 -1.26 -2.05 120.40 119.18 2eed s VAL 74 Ca 0.03 0.52 0.05 0.00 -1.81 0.00 0.00 61.98 60.77 2eed s VAL 74 Cb -0.14 -4.01 0.32 0.00 0.56 0.00 0.00 36.38 33.10 2eed s VAL 74 CO -0.07 -0.24 1.03 0.29 -0.31 0.00 0.00 175.10 175.80 2eed n LYS 75 N 5.88 2.44 -3.66 4.82 4.76 -1.26 -2.19 118.16 128.95 2eed n LYS 75 Ca -0.03 -1.24 -0.12 0.00 -2.87 0.00 0.00 58.31 54.05 2eed n LYS 75 Cb 0.49 -1.77 -0.06 0.00 -1.84 0.00 0.00 35.03 31.85 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 -1.66 0.96 0.51 1.97 2.12 -1.26 -4.91 118.70 116.44 2eed s GLU 76 Ca 0.22 -0.46 0.08 0.00 0.36 0.00 0.00 54.97 55.17 2eed s GLU 76 Cb 0.17 0.43 0.04 0.00 0.26 0.00 0.00 34.13 35.03 2eed s GLU 76 CO 0.06 -0.34 0.60 -0.98 -0.54 0.00 0.00 175.26 174.05 2eed s ARG 77 N -2.86 2.43 0.00 4.30 1.70 -1.26 -4.71 118.95 118.55 2eed s ARG 77 Ca -0.03 -1.63 0.00 0.00 -0.47 0.00 0.00 55.73 53.60 2eed s ARG 77 Cb -0.00 -2.50 0.00 0.00 -0.57 0.00 0.00 34.95 31.88 2eed s ARG 77 CO -0.05 -0.59 0.00 0.41 -1.08 0.00 0.00 175.30 173.99 2eed n GLY 78 N -1.95 -0.27 3.68 3.88 0.00 -1.11 -4.95 105.19 104.46 2eed n GLY 78 Ca 0.08 -2.25 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 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 -3.92 7.08 0.04 1.61 1.01 -1.26 -2.62 116.67 118.62 2eed s ASP 79 Ca 0.00 1.66 0.05 0.00 0.71 0.00 0.00 52.55 54.97 2eed s ASP 79 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2eed s ASP 79 CO 0.00 -0.60 -0.08 -0.31 0.21 0.00 0.00 175.17 174.39 2eed s TYR 80 N 2.57 2.83 -0.35 4.23 1.51 0.61 -5.00 117.35 123.76 2eed s TYR 80 Ca 0.52 -0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.49 2eed s TYR 80 Cb -0.21 -1.54 0.08 0.00 -0.11 0.00 0.00 41.96 40.18 2eed s TYR 80 CO 0.17 0.39 0.08 0.08 -1.11 0.00 0.00 175.55 175.16 2eed s VAL 81 N -1.09 2.90 -0.22 0.71 1.01 -1.26 -1.90 120.40 120.55 2eed s VAL 81 Ca 0.19 -1.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.10 2eed s VAL 81 Cb -0.11 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 2eed s VAL 81 CO 0.10 -0.41 0.78 -0.22 0.00 0.00 0.00 175.10 175.35 2eed s LEU 82 N 1.13 4.11 -0.35 3.92 2.96 -1.17 -4.08 118.68 125.20 2eed s LEU 82 Ca 0.03 1.00 -0.05 0.00 -0.22 0.00 0.00 54.13 54.88 2eed s LEU 82 Cb -0.21 -3.12 0.05 0.00 0.50 0.00 0.00 46.19 43.42 2eed s LEU 82 CO -0.04 -0.44 0.11 0.00 -1.32 0.00 0.00 176.35 174.66 2eed s ALA 83 N 2.54 3.04 -0.23 5.97 0.00 -1.26 -2.06 121.76 129.75 2eed s ALA 83 Ca 0.34 -1.89 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 2eed s ALA 83 Cb -0.16 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.72 2eed s ALA 83 CO 0.09 -1.42 -0.09 0.08 0.00 0.00 0.00 175.76 174.42 2eed s VAL 84 N 1.34 2.75 0.15 0.00 1.01 -1.26 -2.39 120.40 121.99 2eed s VAL 84 Ca -0.01 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.05 2eed s VAL 84 Cb -0.20 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2eed s VAL 84 CO 0.01 0.27 0.08 -0.54 0.00 0.00 0.00 175.10 174.92 2eed s LYS 85 N 1.32 2.72 -0.37 2.72 1.02 -1.16 -2.63 119.74 123.36 2eed s LYS 85 Ca 0.01 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.10 2eed s LYS 85 Cb -0.16 -2.57 0.12 0.00 -0.52 0.00 0.00 37.83 34.71 2eed s LYS 85 CO -0.06 0.49 0.18 -0.46 -0.92 0.00 0.00 175.35 174.59 2eed s TRP 86 N -1.65 1.54 -0.75 3.18 -0.11 -0.13 -3.48 118.94 117.54 2eed s TRP 86 Ca 0.29 -1.95 -0.01 0.00 1.22 0.00 0.00 56.10 55.65 2eed s TRP 86 Cb -0.10 -1.58 0.00 0.00 -1.50 0.00 0.00 33.47 30.29 2eed s TRP 86 CO 0.21 -0.83 0.67 0.41 -4.62 0.00 0.00 176.95 172.80 2eed n GLY 87 N 4.16 -1.25 3.52 5.86 0.00 -1.16 -3.31 105.19 113.01 2eed n GLY 87 Ca 0.05 0.54 -0.19 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.96 -6.09 -3.82 1.61 1.02 -1.26 -4.99 120.64 105.15 2eed n GLU 88 Ca -0.09 0.77 -0.06 0.00 -0.02 0.00 0.00 57.16 57.77 2eed n GLU 88 Cb 0.56 -5.65 -0.01 0.00 -0.02 0.00 0.00 31.44 26.32 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 -5.58 1.58 -0.19 3.49 2.02 -1.21 -5.12 118.70 113.69 2eed s GLU 89 Ca 0.01 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.11 2eed s GLU 89 Cb -0.01 0.52 0.04 0.00 0.10 0.00 0.00 34.13 34.79 2eed s GLU 89 CO 0.76 -0.73 -0.11 -1.01 0.02 0.00 0.00 175.26 174.19 2eed s HIS 90 N -3.43 2.42 0.58 1.61 3.76 -1.26 -0.96 115.29 118.02 2eed s HIS 90 Ca 0.13 -1.58 -0.18 0.00 -0.15 0.00 0.00 55.06 53.28 2eed s HIS 90 Cb -0.04 -1.65 -0.09 0.00 1.11 0.00 0.00 32.58 31.91 2eed s HIS 90 CO 0.06 -0.74 0.41 0.44 -0.85 0.00 0.00 174.74 174.05 2eed n ILE 91 N 4.68 1.84 -2.04 0.60 -5.35 -1.08 -4.78 119.36 113.23 2eed n ILE 91 Ca -0.15 -0.49 -0.31 0.00 -0.27 0.00 0.00 62.75 61.53 2eed n ILE 91 Cb 0.47 -0.58 -0.04 0.00 -1.74 0.00 0.00 39.64 37.75 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 -2.00 2.58 0.00 6.28 0.04 -1.26 -2.56 135.00 138.09 2eed s PRO 92 Ca 0.66 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2eed s PRO 92 Cb -0.44 -4.79 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2eed s PRO 92 CO 0.57 -3.12 0.00 0.41 0.04 0.00 0.00 177.00 174.90 2eed n GLY 93 N 6.39 0.48 3.92 0.56 0.00 -1.26 -5.06 105.19 110.23 2eed n GLY 93 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 6.38 0.20 1.61 0.15 -1.06 -3.27 113.70 117.71 2eed s SER 94 Ca 0.00 0.32 -0.30 0.00 0.70 0.00 0.00 55.95 56.66 2eed s SER 94 Cb 0.00 -1.98 -0.09 0.00 -1.71 0.00 0.00 66.02 62.25 2eed s SER 94 CO 0.00 0.09 1.30 -2.16 1.20 0.00 0.00 173.24 173.67 2eed s PRO 95 N -2.84 4.39 0.59 5.44 0.04 -1.26 -4.92 135.00 136.45 2eed s PRO 95 Ca 0.36 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.31 2eed s PRO 95 Cb -0.12 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2eed s PRO 95 CO 0.28 -0.25 1.02 -0.06 0.04 0.00 0.00 177.00 178.03 2eed s PHE 96 N 0.13 3.45 -0.45 0.56 0.40 -0.88 -4.88 117.98 116.31 2eed s PHE 96 Ca 0.57 1.39 -0.12 0.00 -0.60 0.00 0.00 56.93 58.16 2eed s PHE 96 Cb -0.36 -2.79 0.08 0.00 0.51 0.00 0.00 43.02 40.46 2eed s PHE 96 CO 0.38 -0.69 0.33 -1.58 0.70 0.00 0.00 175.22 174.35 2eed s HIS 97 N -2.91 3.31 -0.16 0.36 5.65 -1.26 -3.02 115.29 117.25 2eed s HIS 97 Ca 0.57 -1.32 -0.06 0.00 0.25 0.00 0.00 55.06 54.50 2eed s HIS 97 Cb -0.11 -3.12 -0.04 0.00 -1.18 0.00 0.00 32.58 28.13 2eed s HIS 97 CO 0.45 -0.85 0.05 0.08 -0.65 0.00 0.00 174.74 173.82 2eed s VAL 98 N 1.51 4.69 -0.10 0.89 1.01 -0.80 -4.75 120.40 122.85 2eed s VAL 98 Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2eed s VAL 98 Cb -0.24 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2eed s VAL 98 CO 0.04 0.50 -0.14 -0.89 0.00 0.00 0.00 175.10 174.61 2eed s THR 99 N 0.03 2.98 -0.15 3.92 2.01 -1.25 -0.29 115.64 122.91 2eed s THR 99 Ca 0.05 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2eed s THR 99 Cb -0.12 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.18 2eed s THR 99 CO 0.01 0.55 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.59 2eed s VAL 100 N 0.02 2.12 -2.00 3.82 1.01 -1.08 -2.07 120.40 122.22 2eed s VAL 100 Ca -0.05 -0.95 0.16 0.00 0.00 0.00 0.00 61.98 61.14 2eed s VAL 100 Cb -0.14 -1.85 0.44 0.00 0.00 0.00 0.00 36.38 34.83 2eed s VAL 100 CO 0.04 0.55 1.34 -0.81 0.00 0.00 0.00 175.10 176.22