#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b n ILE 2 N 0.00 1.71 0.00 3.17 -0.00 -1.26 -5.01 119.36 117.97 3e1b n ILE 2 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 62.75 62.43 3e1b n ILE 2 Cb 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 39.64 38.78 3e1b n ILE 2 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 3e1b n ARG 3 N -1.54 3.60 -0.16 6.28 0.63 -1.26 -4.76 116.66 119.46 3e1b n ARG 3 Ca 0.11 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.07 3e1b n ARG 3 Cb 0.51 -0.62 0.11 0.00 0.45 0.00 0.00 32.46 32.91 3e1b n ARG 3 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3e1b n GLU 4 N -0.97 1.71 -3.53 -0.14 1.02 -1.26 -4.96 120.64 112.51 3e1b n GLU 4 Ca 0.00 -0.90 -0.20 0.00 -0.02 0.00 0.00 57.16 56.04 3e1b n GLU 4 Cb 0.00 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 3e1b n GLU 4 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3e1b s GLU 5 N -1.66 2.68 0.29 3.49 -1.05 -1.26 -5.02 118.70 116.17 3e1b s GLU 5 Ca 0.17 -1.38 0.21 0.00 -0.15 0.00 0.00 54.97 53.81 3e1b s GLU 5 Cb 0.09 -2.50 1.09 0.00 -0.44 0.00 0.00 34.13 32.37 3e1b s GLU 5 CO 0.10 -0.11 1.64 -2.13 0.95 0.00 0.00 175.26 175.71 3e1b n ARG 6 N -1.56 0.14 -0.26 -4.83 3.00 -1.26 -3.99 116.66 107.91 3e1b n ARG 6 Ca 0.03 0.59 -0.03 0.00 -0.00 0.00 0.00 57.85 58.44 3e1b n ARG 6 Cb 0.60 -1.92 0.00 0.00 0.00 0.00 0.00 32.46 31.14 3e1b n ARG 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3e1b n LEU 7 N -2.22 -0.51 0.24 6.15 -0.00 -1.26 -1.88 117.00 117.52 3e1b n LEU 7 Ca -0.01 1.16 0.17 0.00 -0.00 0.00 0.00 56.01 57.33 3e1b n LEU 7 Cb 0.07 -0.23 0.85 0.00 -0.00 0.00 0.00 43.42 44.11 3e1b n LEU 7 CO 0.11 -1.02 1.00 -0.07 -0.00 0.00 0.00 177.39 177.41 3e1b h LEU 8 N 0.00 0.00 0.00 -1.96 3.38 -1.95 -2.58 115.31 112.20 3e1b h LEU 8 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3e1b h LEU 8 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3e1b h LEU 8 CO -0.65 0.00 -1.43 1.17 0.09 0.00 0.00 178.44 177.63 3e1b n LYS 9 N -2.67 1.25 0.30 1.13 3.00 -0.89 -4.81 118.16 115.47 3e1b n LYS 9 Ca -0.02 -0.05 0.16 0.00 -0.00 0.00 0.00 58.31 58.41 3e1b n LYS 9 Cb 0.09 -1.19 0.95 0.00 0.00 0.00 0.00 35.03 34.88 3e1b n LYS 9 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 3e1b h VAL 10 N 0.00 0.45 -1.93 3.15 3.04 -0.94 -3.40 116.25 116.62 3e1b h VAL 10 Ca -0.08 -0.02 -0.44 0.00 -1.01 0.00 0.00 66.70 65.15 3e1b h VAL 10 Cb 0.80 1.01 0.01 0.00 -2.01 0.00 0.00 31.29 31.11 3e1b h VAL 10 CO 0.00 0.00 -0.30 -0.76 -1.01 0.00 0.00 177.57 175.51 3e1b s LEU 11 N -7.46 3.91 0.00 3.16 1.43 -1.24 -1.50 118.68 116.97 3e1b s LEU 11 Ca -0.05 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3e1b s LEU 11 Cb 0.15 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 3e1b s LEU 11 CO 0.53 -0.49 0.06 0.54 0.23 0.00 0.00 176.35 177.21 3e1b n ARG 12 N -1.72 0.92 -1.16 1.70 3.00 -0.26 -4.43 116.66 114.70 3e1b n ARG 12 Ca 0.01 -2.19 -0.35 0.00 -0.01 0.00 0.00 57.85 55.30 3e1b n ARG 12 Cb 0.58 0.95 0.09 0.00 0.00 0.00 0.00 32.46 34.08 3e1b n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3e1b n ALA 13 N -1.88 -1.42 -1.68 7.54 0.00 -1.26 -4.54 120.51 117.26 3e1b n ALA 13 Ca -0.11 -0.32 -0.39 0.00 0.00 0.00 0.00 53.44 52.62 3e1b n ALA 13 Cb 0.39 -1.92 0.04 0.00 0.00 0.00 0.00 19.45 17.96 3e1b n ALA 13 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3e1b n PRO 14 N -1.32 1.41 0.00 0.00 -0.02 -1.26 -2.90 135.00 130.90 3e1b n PRO 14 Ca 0.10 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 3e1b n PRO 14 Cb 0.51 -2.37 0.37 0.00 -0.02 0.00 0.00 33.50 31.98 3e1b n PRO 14 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3e1b n HIS 15 N -1.14 0.00 -0.49 6.00 -0.00 -0.35 -4.85 115.22 114.39 3e1b n HIS 15 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 3e1b n HIS 15 Cb 0.44 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 3e1b n HIS 15 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 3e1b n VAL 16 N -0.35 0.00 -1.26 3.57 3.14 -1.26 -4.91 118.33 117.26 3e1b n VAL 16 Ca 0.13 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.18 3e1b n VAL 16 Cb 0.37 -0.49 0.11 0.00 -1.06 0.00 0.00 33.84 32.77 3e1b n VAL 16 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3e1b s SER 17 N -1.28 3.90 0.49 6.55 0.15 -1.26 -4.90 113.70 117.34 3e1b s SER 17 Ca 0.00 2.34 0.30 0.00 0.70 0.00 0.00 55.95 59.29 3e1b s SER 17 Cb 0.00 -2.59 1.39 0.00 -1.71 0.00 0.00 66.02 63.12 3e1b s SER 17 CO 0.00 -2.46 1.78 -0.08 1.20 0.00 0.00 173.24 173.68 3e1b h GLU 18 N -0.64 0.14 -0.02 5.44 4.57 -2.04 -2.72 114.58 119.31 3e1b h GLU 18 Ca -0.47 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.71 3e1b h GLU 18 Cb 1.29 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3e1b h GLU 18 CO 0.48 0.09 0.12 -0.22 -1.18 0.00 0.00 179.01 178.30 3e1b h LYS 19 N 0.14 0.00 -0.11 1.92 3.64 -1.97 -0.09 116.57 120.10 3e1b h LYS 19 Ca 0.60 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 60.01 3e1b h LYS 19 Cb 2.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.86 3e1b h LYS 19 CO -0.14 0.00 0.08 0.00 -2.27 0.00 0.00 179.45 177.12 3e1b h ALA 20 N 1.79 2.08 0.14 5.00 0.00 -1.76 -1.97 119.26 124.54 3e1b h ALA 20 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3e1b h ALA 20 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3e1b h ALA 20 CO -0.00 -0.11 -0.07 1.03 0.00 0.00 0.00 179.25 180.10 3e1b h SER 21 N 0.02 -0.16 1.34 0.00 0.87 -1.26 -3.30 113.55 111.06 3e1b h SER 21 Ca 0.05 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3e1b h SER 21 Cb 0.18 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3e1b h SER 21 CO -0.00 0.41 -0.19 0.71 -0.53 0.00 0.00 176.83 177.23 3e1b h THR 22 N -0.97 0.00 0.00 2.23 1.35 -1.51 -3.38 112.91 110.62 3e1b h THR 22 Ca -0.02 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3e1b h THR 22 Cb 0.43 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3e1b h THR 22 CO 0.03 0.00 -0.70 0.00 -0.25 0.00 0.00 175.52 174.60 3e1b n ALA 23 N -1.83 1.76 -1.71 6.62 0.00 -0.75 -4.97 120.51 119.63 3e1b n ALA 23 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 3e1b n ALA 23 Cb 0.44 0.21 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 3e1b n ALA 23 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3e1b s MET 24 N -1.70 2.86 0.03 0.00 -1.94 -1.24 -4.75 119.30 112.55 3e1b s MET 24 Ca 0.00 1.64 0.00 0.00 -1.71 0.00 0.00 55.69 55.62 3e1b s MET 24 Cb 0.00 -4.39 0.00 0.00 2.01 0.00 0.00 34.83 32.45 3e1b s MET 24 CO 0.00 -2.41 0.00 -1.91 -0.01 0.00 0.00 175.02 170.69 3e1b n GLU 25 N 8.80 0.00 -0.06 2.03 4.07 -1.26 -4.85 120.64 129.36 3e1b n GLU 25 Ca 0.29 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.43 3e1b n GLU 25 Cb 0.48 -0.02 0.07 0.00 -0.06 0.00 0.00 31.44 31.91 3e1b n GLU 25 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3e1b n LYS 26 N -2.62 1.61 -3.87 5.31 2.85 -1.26 -5.00 118.16 115.17 3e1b n LYS 26 Ca 0.00 -1.45 -0.09 0.00 -1.05 0.00 0.00 58.31 55.71 3e1b n LYS 26 Cb 0.00 -1.16 -0.06 0.00 -0.65 0.00 0.00 35.03 33.16 3e1b n LYS 26 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3e1b s SER 27 N -0.83 -0.05 -0.76 -5.58 0.01 -1.25 -4.31 113.70 100.93 3e1b s SER 27 Ca 0.12 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.70 3e1b s SER 27 Cb 0.07 0.47 0.29 0.00 0.21 0.00 0.00 66.02 67.06 3e1b s SER 27 CO 0.10 -0.92 1.06 0.59 0.41 0.00 0.00 173.24 174.48 3e1b n ASN 28 N -0.23 4.86 -3.91 2.44 3.02 -0.12 -4.39 115.26 116.92 3e1b n ASN 28 Ca -0.09 -3.51 -0.39 0.00 -0.03 0.00 0.00 54.58 50.56 3e1b n ASN 28 Cb 0.63 -0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 3e1b n ASN 28 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3e1b n THR 29 N 0.65 1.69 -3.70 3.41 -2.24 -1.26 -0.62 114.28 112.21 3e1b n THR 29 Ca 0.31 -1.57 -0.37 0.00 -2.27 0.00 0.00 64.05 60.15 3e1b n THR 29 Cb 0.37 -2.25 -0.06 0.00 -2.10 0.00 0.00 70.33 66.30 3e1b n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3e1b s ILE 30 N 7.14 5.30 0.17 2.28 1.10 0.39 -4.69 121.20 132.89 3e1b s ILE 30 Ca 0.62 0.49 -0.23 0.00 -0.51 0.00 0.00 60.65 61.02 3e1b s ILE 30 Cb 0.10 -3.54 -0.08 0.00 0.15 0.00 0.00 42.46 39.08 3e1b s ILE 30 CO 0.14 0.59 0.75 0.68 -2.11 0.00 0.00 174.94 174.99 3e1b s VAL 31 N -0.96 4.45 0.36 4.00 -7.23 -1.26 -0.75 120.40 119.01 3e1b s VAL 31 Ca 0.19 1.55 0.04 0.00 -1.81 0.00 0.00 61.98 61.94 3e1b s VAL 31 Cb -0.14 -4.04 -0.04 0.00 0.56 0.00 0.00 36.38 32.73 3e1b s VAL 31 CO 0.08 0.44 0.13 -0.22 -0.31 0.00 0.00 175.10 175.21 3e1b s LEU 32 N -1.38 1.92 0.13 1.32 2.96 0.02 -1.21 118.68 122.44 3e1b s LEU 32 Ca 0.37 -1.58 0.00 0.00 -0.22 0.00 0.00 54.13 52.70 3e1b s LEU 32 Cb -0.21 -0.05 -0.04 0.00 0.50 0.00 0.00 46.19 46.39 3e1b s LEU 32 CO 0.24 -0.86 0.01 -1.59 -1.32 0.00 0.00 176.35 172.84 3e1b s LYS 33 N -3.78 0.94 0.04 1.98 -2.85 -1.14 -0.63 119.74 114.29 3e1b s LYS 33 Ca 0.30 -1.43 -0.08 0.00 -1.00 0.00 0.00 55.97 53.76 3e1b s LYS 33 Cb 0.05 0.02 -0.00 0.00 -2.06 0.00 0.00 37.83 35.83 3e1b s LYS 33 CO 0.16 -0.17 0.15 0.14 0.10 0.00 0.00 175.35 175.73 3e1b s VAL 34 N -3.86 0.12 0.93 1.79 -7.23 0.04 -1.10 120.40 111.09 3e1b s VAL 34 Ca 0.21 -0.97 -0.15 0.00 -1.81 0.00 0.00 61.98 59.26 3e1b s VAL 34 Cb 0.07 -0.90 0.21 0.00 0.56 0.00 0.00 36.38 36.33 3e1b s VAL 34 CO 0.00 -0.53 1.26 0.00 -0.31 0.00 0.00 175.10 175.52 3e1b n ALA 35 N 0.73 -1.34 -0.25 1.32 0.00 -0.56 -4.40 120.51 116.01 3e1b n ALA 35 Ca -0.19 -1.71 0.27 0.00 0.00 0.00 0.00 53.44 51.82 3e1b n ALA 35 Cb 0.59 -0.05 0.65 0.00 0.00 0.00 0.00 19.45 20.64 3e1b n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3e1b h LYS 36 N 0.00 0.14 0.00 0.00 3.64 -1.90 -2.42 116.57 116.04 3e1b h LYS 36 Ca -0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3e1b h LYS 36 Cb 1.16 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3e1b h LYS 36 CO 0.30 0.10 0.00 -0.44 -2.27 0.00 0.00 179.45 177.14 3e1b h ASP 37 N 0.15 0.00 -1.00 4.20 3.45 -1.90 -3.44 116.42 117.88 3e1b h ASP 37 Ca 0.50 0.00 -0.37 0.00 0.43 0.00 0.00 57.03 57.58 3e1b h ASP 37 Cb 1.70 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 40.41 3e1b h ASP 37 CO -0.09 0.00 0.94 0.00 -1.57 0.00 0.00 179.24 178.52 3e1b s ALA 38 N -3.83 1.91 0.35 3.45 0.00 -0.91 -4.96 121.76 117.76 3e1b s ALA 38 Ca -0.03 -1.49 -0.19 0.00 0.00 0.00 0.00 51.96 50.25 3e1b s ALA 38 Cb 0.10 -4.51 -0.10 0.00 0.00 0.00 0.00 23.12 18.61 3e1b s ALA 38 CO 0.30 -4.48 0.84 -0.08 0.00 0.00 0.00 175.76 172.35 3e1b s THR 39 N 9.10 4.50 0.38 0.00 -1.32 -1.26 -5.03 115.64 122.01 3e1b s THR 39 Ca 0.65 1.30 0.18 0.00 -1.21 0.00 0.00 61.69 62.61 3e1b s THR 39 Cb -0.07 -3.69 0.38 0.00 -1.51 0.00 0.00 72.50 67.62 3e1b s THR 39 CO 0.01 -0.15 1.73 0.50 -2.21 0.00 0.00 174.62 174.51 3e1b h LYS 40 N 2.38 0.37 -0.88 7.08 3.64 -1.98 -2.36 116.57 124.81 3e1b h LYS 40 Ca -0.48 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 58.96 3e1b h LYS 40 Cb 1.18 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 3e1b h LYS 40 CO 0.64 0.25 0.53 0.00 -2.27 0.00 0.00 179.45 178.59 3e1b h ALA 41 N 1.66 1.25 0.59 5.00 0.00 -1.98 0.14 119.26 125.92 3e1b h ALA 41 Ca 0.65 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.54 3e1b h ALA 41 Cb 1.61 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.21 3e1b h ALA 41 CO -0.37 0.20 -0.28 0.93 0.00 0.00 0.00 179.25 179.73 3e1b h GLU 42 N 0.91 -0.76 -0.03 0.00 4.39 -1.80 -1.40 114.58 115.89 3e1b h GLU 42 Ca 0.41 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 60.11 3e1b h GLU 42 Cb 0.31 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3e1b h GLU 42 CO -0.22 -0.46 -0.22 0.97 -1.16 0.00 0.00 179.01 177.92 3e1b h ILE 43 N -0.96 1.17 -0.21 3.13 2.10 -1.58 -1.28 117.51 119.89 3e1b h ILE 43 Ca -0.08 -0.82 0.03 0.00 1.08 0.00 0.00 64.86 65.07 3e1b h ILE 43 Cb 0.66 1.39 -0.03 0.00 -1.09 0.00 0.00 36.82 37.75 3e1b h ILE 43 CO 0.13 0.24 0.05 0.50 -1.08 0.00 0.00 178.15 178.00 3e1b h LYS 44 N 0.05 0.14 -0.21 2.19 3.64 -0.63 -3.02 116.57 118.74 3e1b h LYS 44 Ca 0.01 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3e1b h LYS 44 Cb 0.41 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3e1b h LYS 44 CO 0.03 0.09 -0.20 0.00 -2.27 0.00 0.00 179.45 177.10 3e1b h ALA 45 N 1.15 1.27 -2.51 5.00 0.00 -0.59 -3.41 119.26 120.17 3e1b h ALA 45 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3e1b h ALA 45 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3e1b h ALA 45 CO -0.11 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3e1b n ALA 46 N -2.48 -0.04 -0.08 0.00 0.00 -0.54 -4.50 120.51 112.87 3e1b n ALA 46 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3e1b n ALA 46 Cb 0.35 0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 3e1b n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3e1b h VAL 47 N 0.00 0.17 0.00 0.00 2.07 -1.79 -2.44 116.25 114.25 3e1b h VAL 47 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3e1b h VAL 47 Cb 0.00 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3e1b h VAL 47 CO 0.00 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 179.14 3e1b h GLN 48 N -0.36 0.00 -0.02 1.57 7.50 -1.79 -0.57 115.11 121.44 3e1b h GLN 48 Ca 0.12 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.27 3e1b h GLN 48 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.11 3e1b h GLN 48 CO -0.49 0.01 -0.20 0.36 -1.50 0.00 0.00 178.83 177.01 3e1b n LYS 49 N -3.66 1.64 -0.01 1.46 2.85 -0.94 -3.57 118.16 115.93 3e1b n LYS 49 Ca -0.03 -1.30 0.02 0.00 -1.05 0.00 0.00 58.31 55.95 3e1b n LYS 49 Cb 0.10 -1.38 -0.04 0.00 -0.65 0.00 0.00 35.03 33.06 3e1b n LYS 49 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3e1b n LEU 50 N 0.53 0.00 -0.07 -5.58 -0.00 -0.96 -4.80 117.00 106.11 3e1b n LEU 50 Ca 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.12 3e1b n LEU 50 Cb 0.45 0.02 0.01 0.00 -0.00 0.00 0.00 43.42 43.91 3e1b n LEU 50 CO 0.18 0.02 0.35 0.33 -0.00 0.00 0.00 177.39 178.28 3e1b n PHE 51 N -1.78 0.00 -0.12 1.96 7.35 -0.26 -5.04 117.46 119.57 3e1b n PHE 51 Ca -0.02 -0.23 0.00 0.00 -0.76 0.00 0.00 57.45 56.44 3e1b n PHE 51 Cb 0.24 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.03 3e1b n PHE 51 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3e1b n GLU 52 N -0.26 0.00 -3.81 -4.13 1.02 -1.23 -4.98 120.64 107.24 3e1b n GLU 52 Ca 0.01 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 3e1b n GLU 52 Cb 0.46 -3.11 -0.12 0.00 -0.02 0.00 0.00 31.44 28.65 3e1b n GLU 52 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3e1b s VAL 53 N -1.87 4.40 0.16 2.62 -7.23 -1.25 -4.94 120.40 112.28 3e1b s VAL 53 Ca 0.00 -0.15 -0.31 0.00 -1.81 0.00 0.00 61.98 59.71 3e1b s VAL 53 Cb 0.00 -3.04 -0.10 0.00 0.56 0.00 0.00 36.38 33.79 3e1b s VAL 53 CO 0.00 0.36 1.66 -0.70 -0.31 0.00 0.00 175.10 176.11 3e1b s GLU 54 N 1.40 4.17 0.20 4.82 2.12 -1.26 -3.50 118.70 126.66 3e1b s GLU 54 Ca 0.05 2.46 0.04 0.00 0.36 0.00 0.00 54.97 57.88 3e1b s GLU 54 Cb -0.15 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 3e1b s GLU 54 CO 0.04 -0.70 -0.04 0.14 -0.54 0.00 0.00 175.26 174.16 3e1b s VAL 55 N 1.59 1.06 0.00 3.70 -7.23 -1.26 -4.06 120.40 114.20 3e1b s VAL 55 Ca 0.74 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 3e1b s VAL 55 Cb -0.45 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.33 3e1b s VAL 55 CO 0.32 -0.48 0.00 -0.62 -0.31 0.00 0.00 175.10 174.02 3e1b n GLU 56 N -0.33 0.00 -4.24 4.82 -0.58 -1.16 -5.00 120.64 114.16 3e1b n GLU 56 Ca -0.07 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.40 3e1b n GLU 56 Cb 0.63 -0.21 -0.09 0.00 -0.57 0.00 0.00 31.44 31.20 3e1b n GLU 56 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3e1b s VAL 57 N -0.57 3.49 -0.03 2.62 1.01 -1.26 -5.06 120.40 120.60 3e1b s VAL 57 Ca 0.00 -1.46 0.01 0.00 0.00 0.00 0.00 61.98 60.52 3e1b s VAL 57 Cb 0.00 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3e1b s VAL 57 CO 0.00 -0.06 -0.01 -0.69 0.00 0.00 0.00 175.10 174.34 3e1b s VAL 58 N -1.62 0.23 -0.11 2.92 1.01 -1.26 -3.79 120.40 117.78 3e1b s VAL 58 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 3e1b s VAL 58 Cb -0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 3e1b s VAL 58 CO 0.17 0.15 -0.05 0.20 0.00 0.00 0.00 175.10 175.56 3e1b s ASN 59 N 0.89 4.75 -0.04 3.32 0.01 -0.49 -5.01 114.94 118.37 3e1b s ASN 59 Ca -0.09 -0.06 -0.00 0.00 -0.71 0.00 0.00 52.86 51.99 3e1b s ASN 59 Cb -0.13 -1.48 -0.04 0.00 0.41 0.00 0.00 41.25 40.01 3e1b s ASN 59 CO -0.01 0.27 0.02 0.28 -1.51 0.00 0.00 177.10 176.15 3e1b s THR 60 N -0.28 4.32 -0.16 1.60 -1.32 -1.26 -1.34 115.64 117.20 3e1b s THR 60 Ca 0.04 -0.42 -0.03 0.00 -1.21 0.00 0.00 61.69 60.08 3e1b s THR 60 Cb -0.13 -2.89 0.05 0.00 -1.51 0.00 0.00 72.50 68.02 3e1b s THR 60 CO 0.02 0.46 0.03 -0.76 -2.21 0.00 0.00 174.62 172.17 3e1b s LEU 61 N -1.32 0.98 -0.91 9.08 1.02 -1.17 -5.02 118.68 121.34 3e1b s LEU 61 Ca 0.18 -0.60 -0.24 0.00 0.02 0.00 0.00 54.13 53.48 3e1b s LEU 61 Cb -0.12 -0.54 0.01 0.00 0.02 0.00 0.00 46.19 45.56 3e1b s LEU 61 CO 0.08 -0.28 1.64 -0.69 0.02 0.00 0.00 176.35 177.12 3e1b s VAL 62 N 1.90 3.68 -0.14 -1.59 1.01 -1.26 -3.82 120.40 120.18 3e1b s VAL 62 Ca 0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3e1b s VAL 62 Cb -0.16 -4.58 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 3e1b s VAL 62 CO -0.07 -1.50 0.19 -0.69 0.00 0.00 0.00 175.10 173.03 3e1b s VAL 63 N 7.18 5.39 -0.21 2.92 1.01 -1.26 -5.04 120.40 130.39 3e1b s VAL 63 Ca 0.55 0.33 0.11 0.00 0.00 0.00 0.00 61.98 62.96 3e1b s VAL 63 Cb -0.04 -3.50 0.42 0.00 0.00 0.00 0.00 36.38 33.26 3e1b s VAL 63 CO -0.01 0.51 1.22 0.29 0.00 0.00 0.00 175.10 177.11 3e1b n LYS 64 N 2.80 1.68 -1.58 2.72 5.02 -1.26 -3.74 118.16 123.79 3e1b n LYS 64 Ca -0.17 -3.34 -0.21 0.00 -2.02 0.00 0.00 58.31 52.58 3e1b n LYS 64 Cb 0.53 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 3e1b n LYS 64 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3e1b s GLY 65 N -3.25 -0.68 0.22 0.72 0.00 -1.26 -4.96 107.32 98.11 3e1b s GLY 65 Ca 0.39 -0.58 -0.27 0.00 0.00 0.00 0.00 44.72 44.25 3e1b s GLY 65 CO -0.07 4.18 0.50 1.17 0.00 0.00 0.00 173.10 178.89 3e1b n LYS 66 N 8.88 0.05 -4.10 2.90 3.00 -1.26 -4.73 118.16 122.89 3e1b n LYS 66 Ca 0.43 0.02 -0.09 0.00 -0.00 0.00 0.00 58.31 58.68 3e1b n LYS 66 Cb 0.47 -1.03 -0.10 0.00 0.00 0.00 0.00 35.03 34.37 3e1b n LYS 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3e1b s VAL 67 N -1.06 0.15 -0.17 3.15 0.11 -0.48 -5.00 120.40 117.10 3e1b s VAL 67 Ca 0.63 -1.81 -0.09 0.00 -2.93 0.00 0.00 61.98 57.79 3e1b s VAL 67 Cb -0.90 -1.79 0.06 0.00 -1.53 0.00 0.00 36.38 32.23 3e1b s VAL 67 CO 0.57 -0.68 0.41 -1.59 -3.33 0.00 0.00 175.10 170.48 3e1b s LYS 68 N -3.98 0.39 0.00 1.54 0.00 -1.26 -2.56 119.74 113.87 3e1b s LYS 68 Ca 0.16 0.81 0.00 0.00 0.00 0.00 0.00 55.97 56.94 3e1b s LYS 68 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 37.83 37.91 3e1b s LYS 68 CO -0.04 -0.17 0.00 -2.13 0.00 0.00 0.00 175.35 173.02 3e1b n ARG 69 N 4.37 4.78 0.00 1.78 3.00 -1.09 -4.87 116.66 124.62 3e1b n ARG 69 Ca -0.22 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.74 3e1b n ARG 69 Cb 0.55 -0.52 0.63 0.00 0.00 0.00 0.00 32.46 33.12 3e1b n ARG 69 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 3e1b n HIS 70 N -0.20 0.00 0.00 -0.14 -0.00 -0.98 -4.90 115.22 109.00 3e1b n HIS 70 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3e1b n HIS 70 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3e1b n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3e1b n GLY 71 N 0.46 1.10 3.57 1.57 0.00 -1.26 -4.80 105.19 105.82 3e1b n GLY 71 Ca 0.16 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 3e1b n GLY 71 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3e1b s GLN 72 N 0.00 1.78 0.00 1.61 2.00 -1.26 -4.69 119.66 119.10 3e1b s GLN 72 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 55.36 53.35 3e1b s GLN 72 Cb 0.00 -4.92 0.00 0.00 0.80 0.00 0.00 33.01 28.89 3e1b s GLN 72 CO 0.00 -4.41 0.00 0.54 -0.50 0.00 0.00 175.29 170.92 3e1b n ARG 73 N 8.65 0.00 -4.60 1.67 5.12 -1.26 -4.84 116.66 121.41 3e1b n ARG 73 Ca 0.44 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 56.09 3e1b n ARG 73 Cb 0.45 -0.69 -0.10 0.00 -1.16 0.00 0.00 32.46 30.96 3e1b n ARG 73 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3e1b s ILE 74 N 0.00 1.56 0.00 0.55 -4.36 -1.26 -4.84 121.20 112.86 3e1b s ILE 74 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 3e1b s ILE 74 Cb 0.00 -2.76 0.00 0.00 1.25 0.00 0.00 42.46 40.95 3e1b s ILE 74 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3e1b n GLY 75 N -0.95 -0.35 0.37 6.27 0.00 -1.10 -2.33 105.19 107.10 3e1b n GLY 75 Ca -0.07 0.51 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 3e1b n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1b n ARG 76 N 0.00 0.06 0.00 1.61 1.74 -1.06 -4.97 116.66 114.05 3e1b n ARG 76 Ca 0.00 -0.35 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 3e1b n ARG 76 Cb 0.00 0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 3e1b n ARG 76 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3e1b n ARG 77 N -0.07 2.46 -0.95 5.56 0.63 -1.26 -1.39 116.66 121.65 3e1b n ARG 77 Ca 0.01 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 3e1b n ARG 77 Cb 0.07 -0.81 -0.03 0.00 0.45 0.00 0.00 32.46 32.13 3e1b n ARG 77 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3e1b n SER 78 N -1.37 -5.28 -0.22 6.15 2.88 -1.26 -4.43 113.62 110.09 3e1b n SER 78 Ca 0.00 0.44 -0.08 0.00 -1.33 0.00 0.00 58.87 57.89 3e1b n SER 78 Cb 0.27 -3.05 0.03 0.00 -0.75 0.00 0.00 64.21 60.71 3e1b n SER 78 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3e1b h ASP 79 N -0.95 0.99 0.00 -3.46 3.04 -1.95 -3.47 116.42 110.62 3e1b h ASP 79 Ca -0.00 -0.26 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 3e1b h ASP 79 Cb 1.21 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 39.24 3e1b h ASP 79 CO 0.01 1.00 0.00 1.87 -2.04 0.00 0.00 179.24 180.08 3e1b n TRP 80 N -4.27 0.00 -0.32 4.15 -0.00 -1.26 -4.85 117.44 110.88 3e1b n TRP 80 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 3e1b n TRP 80 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.59 3e1b n TRP 80 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 3e1b n LYS 81 N 0.00 0.00 -0.90 5.87 4.81 -1.25 -4.52 118.16 122.18 3e1b n LYS 81 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 3e1b n LYS 81 Cb 0.00 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.21 3e1b n LYS 81 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3e1b s LYS 82 N 0.00 0.88 0.11 1.64 2.20 -1.25 -0.78 119.74 122.54 3e1b s LYS 82 Ca 0.00 1.14 -0.09 0.00 -0.36 0.00 0.00 55.97 56.66 3e1b s LYS 82 Cb 0.00 -1.74 -0.00 0.00 -1.51 0.00 0.00 37.83 34.58 3e1b s LYS 82 CO 0.00 -2.59 0.21 0.00 -0.36 0.00 0.00 175.35 172.61 3e1b s ALA 83 N -2.73 -0.17 -0.09 3.13 0.00 0.19 -3.07 121.76 119.02 3e1b s ALA 83 Ca 0.65 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.97 3e1b s ALA 83 Cb -0.21 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.49 3e1b s ALA 83 CO 0.59 -0.54 -0.21 0.71 0.00 0.00 0.00 175.76 176.31 3e1b s TYR 84 N -3.89 2.25 0.32 0.00 1.51 -0.45 -0.80 117.35 116.29 3e1b s TYR 84 Ca 0.08 -0.91 0.04 0.00 -1.01 0.00 0.00 57.07 55.27 3e1b s TYR 84 Cb 0.05 -1.53 -0.06 0.00 -0.11 0.00 0.00 41.96 40.30 3e1b s TYR 84 CO -0.08 -0.39 0.04 0.14 -1.11 0.00 0.00 175.55 174.15 3e1b s VAL 85 N 0.45 1.26 -0.42 0.71 -7.23 0.07 -1.40 120.40 113.84 3e1b s VAL 85 Ca -0.17 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.01 3e1b s VAL 85 Cb -0.17 -2.73 0.16 0.00 0.56 0.00 0.00 36.38 34.19 3e1b s VAL 85 CO 0.07 -0.06 0.30 0.42 -0.31 0.00 0.00 175.10 175.52 3e1b s THR 86 N -3.25 0.61 0.00 5.32 -4.23 -1.25 -0.46 115.64 112.38 3e1b s THR 86 Ca 0.35 -2.47 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 3e1b s THR 86 Cb 0.08 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.49 3e1b s THR 86 CO 0.15 -1.10 0.30 0.18 -0.54 0.00 0.00 174.62 173.61 3e1b n LEU 87 N 3.23 0.84 0.00 4.79 7.99 0.21 -2.99 117.00 131.08 3e1b n LEU 87 Ca 0.21 -0.39 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 3e1b n LEU 87 Cb 0.42 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 3e1b n LEU 87 CO 0.13 0.15 0.00 0.29 -1.51 0.00 0.00 177.39 176.46 3e1b n LYS 88 N 1.45 0.00 0.25 3.23 5.02 -1.26 -4.51 118.16 122.35 3e1b n LYS 88 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 3e1b n LYS 88 Cb 0.10 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.03 3e1b n LYS 88 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3e1b h GLU 89 N 0.00 -0.66 0.00 1.97 3.07 -1.92 -0.30 114.58 116.74 3e1b h GLU 89 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3e1b h GLU 89 Cb 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3e1b h GLU 89 CO 0.00 -0.44 0.00 0.41 -1.40 0.00 0.00 179.01 177.58 3e1b n GLY 90 N -1.41 1.00 0.00 -3.84 0.00 -1.26 -3.93 105.19 95.74 3e1b n GLY 90 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 3e1b n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1b n GLN 91 N 0.00 0.87 0.00 1.61 10.64 -1.26 -4.90 117.38 124.34 3e1b n GLN 91 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3e1b n GLN 91 Cb 0.24 -1.41 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 3e1b n GLN 91 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3e1b n ASN 92 N -0.91 0.00 -0.20 2.61 4.13 -1.26 -3.25 115.26 116.37 3e1b n ASN 92 Ca 0.17 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.46 3e1b n ASN 92 Cb 0.08 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.36 3e1b n ASN 92 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3e1b n LEU 93 N 0.00 1.01 0.00 3.41 4.77 -1.26 -4.97 117.00 119.96 3e1b n LEU 93 Ca 0.00 -1.60 0.03 0.00 -0.03 0.00 0.00 56.01 54.41 3e1b n LEU 93 Cb 0.00 -0.13 0.17 0.00 -2.33 0.00 0.00 43.42 41.13 3e1b n LEU 93 CO 0.00 0.38 0.47 0.47 -1.33 0.00 0.00 177.39 177.38 3e1b n ASP 94 N -0.51 0.00 0.00 -1.43 9.92 -1.20 -2.87 116.55 120.46 3e1b n ASP 94 Ca 0.05 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 3e1b n ASP 94 Cb 0.58 -0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 3e1b n ASP 94 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3e1b n PHE 95 N -1.14 -0.06 -4.40 1.24 7.35 -1.26 -5.11 117.46 114.08 3e1b n PHE 95 Ca 0.04 0.01 -0.28 0.00 -0.76 0.00 0.00 57.45 56.46 3e1b n PHE 95 Cb 0.03 0.33 -0.12 0.00 0.35 0.00 0.00 39.48 40.07 3e1b n PHE 95 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3e1b s VAL 96 N -2.00 2.30 -0.74 -2.13 0.11 -1.14 -5.12 120.40 111.69 3e1b s VAL 96 Ca 0.00 -1.88 -0.17 0.00 -2.93 0.00 0.00 61.98 57.00 3e1b s VAL 96 Cb 0.00 -2.06 0.15 0.00 -1.53 0.00 0.00 36.38 32.95 3e1b s VAL 96 CO 0.00 -0.00 0.78 -0.83 -3.33 0.00 0.00 175.10 171.72 3e1b s GLY 97 N -2.34 2.17 0.00 6.54 0.00 -1.26 -4.49 107.32 107.95 3e1b s GLY 97 Ca 0.17 -2.77 0.00 0.00 0.00 0.00 0.00 44.72 42.12 3e1b s GLY 97 CO 0.08 1.50 0.74 0.61 0.00 0.00 0.00 173.10 176.03 3e1b n GLY 98 N 4.84 1.33 0.00 0.20 0.00 -1.26 -5.20 105.19 105.10 3e1b n GLY 98 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3e1b n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32