#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b h HIS 2 N 0.00 0.00 -4.10 0.00 2.76 -2.13 -3.47 115.15 108.21 3e1b h HIS 2 Ca 0.00 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.04 3e1b h HIS 2 Cb 0.00 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 28.82 3e1b h HIS 2 CO 0.00 0.32 -0.47 0.15 -1.30 0.00 0.00 177.93 176.62 3e1b s LYS 3 N -3.13 0.98 0.00 5.26 1.02 -1.26 -5.05 119.74 117.56 3e1b s LYS 3 Ca 0.04 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.79 3e1b s LYS 3 Cb 0.07 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.69 3e1b s LYS 3 CO 0.71 -0.32 0.00 1.17 -0.92 0.00 0.00 175.35 175.99 3e1b n LYS 4 N -0.12 0.00 0.02 1.68 4.81 -1.26 -5.03 118.16 118.25 3e1b n LYS 4 Ca -0.08 0.46 0.11 0.00 -0.87 0.00 0.00 58.31 57.93 3e1b n LYS 4 Cb 0.63 -1.02 -0.04 0.00 0.02 0.00 0.00 35.03 34.62 3e1b n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3e1b n ALA 5 N -0.09 3.53 -0.60 3.14 0.00 -1.26 -5.02 120.51 120.20 3e1b n ALA 5 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3e1b n ALA 5 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3e1b n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1b n GLY 6 N 1.37 0.72 0.09 0.00 0.00 -1.26 -5.00 105.19 101.10 3e1b n GLY 6 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 3e1b n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1b n GLY 7 N -2.49 -1.00 3.47 -0.02 0.00 -1.26 -4.98 105.19 98.90 3e1b n GLY 7 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 3e1b n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3e1b s SER 8 N -5.40 -0.33 0.00 1.61 0.15 -1.26 -5.02 113.70 103.45 3e1b s SER 8 Ca -0.09 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.22 3e1b s SER 8 Cb 0.07 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 3e1b s SER 8 CO 0.84 -1.00 0.00 0.35 1.20 0.00 0.00 173.24 174.63 3e1b n THR 9 N -0.33 0.00 0.00 6.45 -2.24 -1.26 -4.76 114.28 112.14 3e1b n THR 9 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3e1b n THR 9 Cb 0.63 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3e1b n THR 9 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3e1b n ARG 10 N -0.27 0.00 -0.27 -0.78 -4.01 -1.26 -4.84 116.66 105.23 3e1b n ARG 10 Ca 0.00 0.00 0.21 0.00 -1.04 0.00 0.00 57.85 57.02 3e1b n ARG 10 Cb 0.00 -1.46 0.32 0.00 -3.04 0.00 0.00 32.46 28.28 3e1b n ARG 10 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 3e1b n ASN 11 N 0.96 0.01 0.00 2.89 6.94 -1.26 -4.72 115.26 120.08 3e1b n ASN 11 Ca 0.00 0.41 0.00 0.00 -0.02 0.00 0.00 54.58 54.97 3e1b n ASN 11 Cb 0.00 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 3e1b n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3e1b n GLY 12 N -1.35 0.64 3.68 4.83 0.00 -1.26 -5.08 105.19 106.65 3e1b n GLY 12 Ca 0.17 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 3e1b n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1b n ARG 13 N 0.00 2.11 -3.88 1.61 1.74 -1.26 -5.04 116.66 111.93 3e1b n ARG 13 Ca 0.00 0.75 -0.25 0.00 -0.77 0.00 0.00 57.85 57.58 3e1b n ARG 13 Cb 0.00 -2.42 -0.03 0.00 -1.02 0.00 0.00 32.46 28.99 3e1b n ARG 13 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3e1b n ASP 14 N 2.21 2.85 0.00 0.55 5.68 -1.26 -5.10 116.55 121.48 3e1b n ASP 14 Ca 0.11 -2.76 0.00 0.00 -0.50 0.00 0.00 54.79 51.65 3e1b n ASP 14 Cb 0.32 0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 3e1b n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3e1b n SER 15 N -1.56 0.00 0.00 -1.12 3.41 -1.26 -5.00 113.62 108.09 3e1b n SER 15 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3e1b n SER 15 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3e1b n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3e1b n GLU 16 N -1.37 5.09 0.28 4.33 1.02 -1.26 -4.73 120.64 124.00 3e1b n GLU 16 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.33 3e1b n GLU 16 Cb 0.00 -0.55 1.02 0.00 -0.02 0.00 0.00 31.44 31.88 3e1b n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3e1b h ALA 17 N 0.00 1.00 -2.22 0.62 0.00 -1.87 -3.40 119.26 113.39 3e1b h ALA 17 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3e1b h ALA 17 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 17.79 17.97 3e1b h ALA 17 CO 0.00 0.00 -0.82 0.36 0.00 0.00 0.00 179.25 178.79 3e1b n LYS 18 N -2.81 0.22 0.06 0.00 2.85 -1.26 -3.64 118.16 113.58 3e1b n LYS 18 Ca -0.02 0.09 -0.06 0.00 -1.05 0.00 0.00 58.31 57.27 3e1b n LYS 18 Cb 0.06 -1.31 0.12 0.00 -0.65 0.00 0.00 35.03 33.25 3e1b n LYS 18 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 3e1b h ARG 19 N 0.09 0.33 0.00 -1.58 2.43 -1.95 -2.85 114.38 110.85 3e1b h ARG 19 Ca -0.43 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 3e1b h ARG 19 Cb 1.43 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 3e1b h ARG 19 CO 0.44 0.80 0.00 1.28 -1.51 0.00 0.00 179.97 180.98 3e1b n LEU 20 N -3.92 0.00 -4.18 3.80 4.77 -1.26 -3.43 117.00 112.77 3e1b n LEU 20 Ca -0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.78 3e1b n LEU 20 Cb 0.59 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 3e1b n LEU 20 CO 0.45 0.00 0.03 -0.83 -1.33 0.00 0.00 177.39 175.71 3e1b s GLY 21 N 0.00 1.95 0.00 -0.72 0.00 -1.26 -4.94 107.32 102.35 3e1b s GLY 21 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.90 3e1b s GLY 21 CO 0.00 -1.23 0.00 -0.62 0.00 0.00 0.00 173.10 171.25 3e1b n VAL 22 N -0.61 0.00 0.04 1.40 0.31 -1.26 -4.59 118.33 113.61 3e1b n VAL 22 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3e1b n VAL 22 Cb 0.62 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 3e1b n VAL 22 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3e1b n LYS 23 N -1.39 0.00 -2.99 5.55 4.81 -1.26 -5.05 118.16 117.83 3e1b n LYS 23 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3e1b n LYS 23 Cb 0.00 -0.01 -0.05 0.00 0.02 0.00 0.00 35.03 34.99 3e1b n LYS 23 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3e1b s ARG 24 N -2.00 3.81 0.00 1.64 3.00 -1.26 -4.94 118.95 119.20 3e1b s ARG 24 Ca 0.00 0.34 0.00 0.00 -1.00 0.00 0.00 55.73 55.07 3e1b s ARG 24 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 34.95 31.17 3e1b s ARG 24 CO 0.00 -0.76 0.00 1.19 0.00 0.00 0.00 175.30 175.73 3e1b n PHE 25 N 6.26 0.00 0.00 5.12 3.72 -1.26 -5.08 117.46 126.21 3e1b n PHE 25 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3e1b n PHE 25 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3e1b n PHE 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3e1b n GLY 26 N 2.78 0.69 0.00 1.37 0.00 -1.25 -4.24 105.19 104.53 3e1b n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3e1b n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1b n GLY 27 N 0.00 3.74 6.33 -0.02 0.00 -1.26 -4.90 105.19 109.08 3e1b n GLY 27 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3e1b n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3e1b n GLU 28 N -0.27 -0.01 -4.11 1.61 -0.58 -1.26 -5.01 120.64 111.00 3e1b n GLU 28 Ca 0.00 0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.64 3e1b n GLU 28 Cb 0.00 -0.02 -0.08 0.00 -0.57 0.00 0.00 31.44 30.78 3e1b n GLU 28 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3e1b s SER 29 N -3.74 0.10 0.10 1.62 1.04 -1.26 -4.92 113.70 106.64 3e1b s SER 29 Ca 0.00 -1.20 0.03 0.00 0.48 0.00 0.00 55.95 55.26 3e1b s SER 29 Cb 0.00 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 3e1b s SER 29 CO 0.00 -0.99 -0.08 -0.69 0.98 0.00 0.00 173.24 172.46 3e1b s VAL 30 N -4.05 0.83 -1.11 5.02 1.01 -1.26 -5.08 120.40 115.76 3e1b s VAL 30 Ca 0.32 -1.77 -0.24 0.00 0.00 0.00 0.00 61.98 60.28 3e1b s VAL 30 Cb 0.03 -1.49 -0.16 0.00 0.00 0.00 0.00 36.38 34.77 3e1b s VAL 30 CO 0.11 -0.70 1.99 0.18 0.00 0.00 0.00 175.10 176.68 3e1b n LEU 31 N 0.29 2.41 0.00 3.92 4.77 -1.26 -4.65 117.00 122.47 3e1b n LEU 31 Ca -0.14 -2.87 0.12 0.00 -0.03 0.00 0.00 56.01 53.09 3e1b n LEU 31 Cb 0.59 -1.69 0.65 0.00 -2.33 0.00 0.00 43.42 40.65 3e1b n LEU 31 CO 0.28 -2.48 0.90 0.00 -1.33 0.00 0.00 177.39 174.76 3e1b n ALA 32 N 16.15 2.30 0.00 -1.18 0.00 -1.26 -4.39 120.51 132.13 3e1b n ALA 32 Ca 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3e1b n ALA 32 Cb 0.46 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3e1b n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1b n GLY 33 N 0.65 -1.39 0.00 0.00 0.00 -1.26 -4.36 105.19 98.83 3e1b n GLY 33 Ca 0.14 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3e1b n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3e1b n SER 34 N 0.00 0.00 0.00 1.61 2.88 -1.22 -4.83 113.62 112.06 3e1b n SER 34 Ca 0.00 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 3e1b n SER 34 Cb 0.00 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 3e1b n SER 34 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3e1b n ILE 35 N -1.85 0.00 -3.76 2.46 5.41 -1.08 -4.76 119.36 115.78 3e1b n ILE 35 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 3e1b n ILE 35 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 3e1b n ILE 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3e1b s ILE 36 N -0.14 0.05 -1.39 1.39 -1.16 -1.26 -4.79 121.20 113.91 3e1b s ILE 36 Ca 0.00 -0.39 0.12 0.00 -0.51 0.00 0.00 60.65 59.86 3e1b s ILE 36 Cb 0.00 -0.58 0.19 0.00 0.61 0.00 0.00 42.46 42.68 3e1b s ILE 36 CO 0.00 -0.21 1.28 1.33 -2.81 0.00 0.00 174.94 174.52 3e1b n VAL 37 N 1.58 0.76 -4.40 4.00 0.24 -1.26 -4.57 118.33 114.68 3e1b n VAL 37 Ca -0.20 0.19 -0.19 0.00 -2.04 0.00 0.00 64.34 62.10 3e1b n VAL 37 Cb 0.56 -1.00 -0.15 0.00 -1.47 0.00 0.00 33.84 31.79 3e1b n VAL 37 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3e1b s ARG 38 N -2.61 0.80 0.32 7.34 3.52 -1.26 -4.99 118.95 122.06 3e1b s ARG 38 Ca 0.10 -0.38 0.10 0.00 -0.13 0.00 0.00 55.73 55.42 3e1b s ARG 38 Cb 0.08 -0.77 -0.05 0.00 -1.56 0.00 0.00 34.95 32.65 3e1b s ARG 38 CO 0.18 0.21 -0.05 -0.65 -0.81 0.00 0.00 175.30 174.18 3e1b s GLN 39 N -0.32 1.99 0.27 5.12 -1.52 -1.26 -4.44 119.66 119.50 3e1b s GLN 39 Ca 0.03 -1.73 0.03 0.00 -1.95 0.00 0.00 55.36 51.74 3e1b s GLN 39 Cb -0.04 -1.90 -0.04 0.00 -0.22 0.00 0.00 33.01 30.81 3e1b s GLN 39 CO -0.00 0.21 0.19 -0.98 -0.25 0.00 0.00 175.29 174.46 3e1b s ARG 40 N -3.65 1.47 0.62 2.91 1.70 -0.05 -4.84 118.95 117.12 3e1b s ARG 40 Ca 0.33 -1.82 -0.18 0.00 -0.47 0.00 0.00 55.73 53.58 3e1b s ARG 40 Cb -0.02 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 3e1b s ARG 40 CO 0.18 -0.50 1.23 0.20 -1.08 0.00 0.00 175.30 175.33 3e1b s GLY 41 N -3.27 2.73 0.10 3.88 0.00 -1.26 -2.38 107.32 107.12 3e1b s GLY 41 Ca 0.39 1.04 0.00 0.00 0.00 0.00 0.00 44.72 46.16 3e1b s GLY 41 CO 0.19 1.45 0.00 2.41 0.00 0.00 0.00 173.10 177.15 3e1b n THR 42 N -1.77 0.00 0.00 0.90 -1.04 -1.16 -4.51 114.28 106.70 3e1b n THR 42 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3e1b n THR 42 Cb 0.49 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 3e1b n THR 42 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3e1b n LYS 43 N -2.73 0.00 -3.25 -2.82 5.02 0.94 -4.50 118.16 110.81 3e1b n LYS 43 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 3e1b n LYS 43 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3e1b n LYS 43 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3e1b s PHE 44 N 0.00 3.70 0.06 2.13 2.19 -1.18 -0.92 117.98 123.95 3e1b s PHE 44 Ca 0.00 1.17 -0.03 0.00 0.33 0.00 0.00 56.93 58.40 3e1b s PHE 44 Cb 0.00 -2.56 -0.03 0.00 -1.31 0.00 0.00 43.02 39.13 3e1b s PHE 44 CO 0.00 0.41 0.04 -3.38 1.83 0.00 0.00 175.22 174.11 3e1b s HIS 45 N -0.38 0.39 0.00 10.12 -3.43 -1.26 -3.73 115.29 117.00 3e1b s HIS 45 Ca 0.30 -0.88 0.00 0.00 -0.80 0.00 0.00 55.06 53.67 3e1b s HIS 45 Cb -0.18 -0.28 0.00 0.00 -1.43 0.00 0.00 32.58 30.69 3e1b s HIS 45 CO 0.17 -0.41 0.00 0.00 -2.00 0.00 0.00 174.74 172.49 3e1b n ALA 46 N 0.17 1.27 0.00 -1.38 0.00 -1.13 -4.69 120.51 114.76 3e1b n ALA 46 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3e1b n ALA 46 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3e1b n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1b n GLY 47 N 0.74 -1.02 0.63 0.00 0.00 -1.26 -3.56 105.19 100.71 3e1b n GLY 47 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 46.02 46.72 3e1b n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1b n ALA 48 N 0.00 2.38 -1.76 4.61 0.00 -1.26 -4.88 120.51 119.59 3e1b n ALA 48 Ca 0.00 -0.26 -0.34 0.00 0.00 0.00 0.00 53.44 52.84 3e1b n ALA 48 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 3e1b n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3e1b s ASN 49 N -0.32 6.08 0.82 0.00 3.04 -1.26 -4.92 114.94 118.38 3e1b s ASN 49 Ca 0.01 1.96 -0.15 0.00 0.04 0.00 0.00 52.86 54.72 3e1b s ASN 49 Cb 0.01 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.16 3e1b s ASN 49 CO -0.00 -0.96 0.55 0.55 -3.04 0.00 0.00 177.10 174.19 3e1b n VAL 50 N -1.27 1.18 0.00 -5.21 3.14 -1.26 -3.23 118.33 111.68 3e1b n VAL 50 Ca 0.10 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3e1b n VAL 50 Cb 0.52 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 3e1b n VAL 50 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3e1b n GLY 51 N 1.49 2.19 0.00 7.55 0.00 -1.26 -4.07 105.19 111.09 3e1b n GLY 51 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3e1b n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1b n GLY 53 N 0.79 -0.50 0.81 0.00 0.00 -1.20 -4.93 105.19 100.16 3e1b n GLY 53 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3e1b n GLY 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3e1b n ARG 54 N -4.32 2.75 0.00 1.61 3.00 -1.26 -4.65 116.66 113.79 3e1b n ARG 54 Ca -0.01 -2.17 0.00 0.00 -0.00 0.00 0.00 57.85 55.67 3e1b n ARG 54 Cb 0.55 -1.34 0.00 0.00 0.00 0.00 0.00 32.46 31.67 3e1b n ARG 54 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3e1b n ASP 55 N 0.81 0.38 -3.57 6.15 5.68 -1.26 -4.86 116.55 119.88 3e1b n ASP 55 Ca 0.15 -0.28 -0.02 0.00 -0.50 0.00 0.00 54.79 54.13 3e1b n ASP 55 Cb 0.47 -0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 40.37 3e1b n ASP 55 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3e1b n HIS 56 N 0.85 0.00 0.66 2.11 -0.00 -1.26 -4.48 115.22 113.12 3e1b n HIS 56 Ca 0.00 -0.09 0.04 0.00 0.46 0.00 0.00 57.72 58.13 3e1b n HIS 56 Cb 0.07 -0.36 0.15 0.00 -0.12 0.00 0.00 29.99 29.73 3e1b n HIS 56 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 3e1b n THR 57 N 3.30 0.74 -0.60 3.57 5.66 -1.23 -4.82 114.28 120.89 3e1b n THR 57 Ca 0.03 -0.49 0.48 0.00 -3.05 0.00 0.00 64.05 61.02 3e1b n THR 57 Cb 0.09 -0.06 0.79 0.00 -1.55 0.00 0.00 70.33 69.60 3e1b n THR 57 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3e1b h LEU 58 N 1.76 0.00 -2.00 1.09 3.38 -1.84 -3.11 115.31 114.59 3e1b h LEU 58 Ca 0.00 0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.36 3e1b h LEU 58 Cb 0.72 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3e1b h LEU 58 CO 0.09 0.00 0.96 -0.26 0.09 0.00 0.00 178.44 179.32 3e1b h PHE 59 N 0.00 0.00 0.00 1.13 -1.00 -1.87 -1.84 116.94 113.36 3e1b h PHE 59 Ca 0.84 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.62 3e1b h PHE 59 Cb 3.44 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 43.00 3e1b h PHE 59 CO 0.00 -0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70 3e1b n ALA 60 N -2.80 1.26 0.00 2.45 0.00 -1.18 -3.86 120.51 116.38 3e1b n ALA 60 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3e1b n ALA 60 Cb 1.39 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3e1b n ALA 60 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3e1b n LYS 61 N -1.46 0.00 0.00 0.00 2.85 -1.22 -1.77 118.16 116.56 3e1b n LYS 61 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 3e1b n LYS 61 Cb 0.05 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.43 3e1b n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3e1b n ALA 62 N 0.00 0.42 -3.39 0.58 0.00 -1.26 -4.75 120.51 112.10 3e1b n ALA 62 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 3e1b n ALA 62 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3e1b n ALA 62 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3e1b s ASP 63 N -0.16 1.64 -0.22 0.00 3.68 -0.73 -3.12 116.67 117.75 3e1b s ASP 63 Ca 0.00 -1.39 0.15 0.00 2.13 0.00 0.00 52.55 53.43 3e1b s ASP 63 Cb 0.00 0.39 0.63 0.00 -1.45 0.00 0.00 42.92 42.50 3e1b s ASP 63 CO 0.00 -0.31 1.56 0.61 0.13 0.00 0.00 175.17 177.16 3e1b n GLY 64 N 4.59 3.78 5.51 2.66 0.00 -0.10 -4.73 105.19 116.90 3e1b n GLY 64 Ca 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3e1b n GLY 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3e1b n LYS 65 N -0.21 0.00 -3.66 1.61 3.00 -1.16 -4.59 118.16 113.15 3e1b n LYS 65 Ca 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.52 3e1b n LYS 65 Cb 1.05 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 36.01 3e1b n LYS 65 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3e1b s VAL 66 N 0.00 -0.72 0.13 3.15 1.01 -1.26 -0.04 120.40 122.66 3e1b s VAL 66 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3e1b s VAL 66 Cb 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3e1b s VAL 66 CO 0.00 0.03 -0.03 -0.75 0.00 0.00 0.00 175.10 174.35 3e1b s LYS 67 N 2.59 0.93 0.68 2.72 2.20 -1.00 -4.25 119.74 123.62 3e1b s LYS 67 Ca -0.05 -1.41 -0.13 0.00 -0.36 0.00 0.00 55.97 54.02 3e1b s LYS 67 Cb -0.11 -0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.04 3e1b s LYS 67 CO -0.16 -0.08 1.08 0.12 -0.36 0.00 0.00 175.35 175.95 3e1b s PHE 68 N -3.68 2.80 -1.67 4.03 5.36 -1.26 -0.87 117.98 122.69 3e1b s PHE 68 Ca 0.17 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 57.66 3e1b s PHE 68 Cb 0.06 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 3e1b s PHE 68 CO -0.01 -1.49 0.00 -0.85 -1.46 0.00 0.00 175.22 171.41 3e1b n GLU 69 N -2.78 0.00 -2.81 10.12 0.28 -1.26 -4.56 120.64 119.63 3e1b n GLU 69 Ca 0.09 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.66 3e1b n GLU 69 Cb 0.53 -1.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.37 3e1b n GLU 69 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3e1b s VAL 70 N -1.67 4.40 -0.96 3.84 1.01 -1.26 -4.02 120.40 121.74 3e1b s VAL 70 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 3e1b s VAL 70 Cb 0.00 -4.83 -0.00 0.00 0.00 0.00 0.00 36.38 31.55 3e1b s VAL 70 CO 0.00 -1.61 0.71 0.29 0.00 0.00 0.00 175.10 174.49 3e1b n LYS 71 N 7.50 -1.29 -1.40 2.72 5.02 -1.26 -4.94 118.16 124.51 3e1b n LYS 71 Ca 0.18 0.77 -0.01 0.00 -2.02 0.00 0.00 58.31 57.23 3e1b n LYS 71 Cb 0.49 -3.89 0.00 0.00 -0.02 0.00 0.00 35.03 31.61 3e1b n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3e1b n GLY 72 N -1.71 2.40 3.55 0.72 0.00 -1.26 -5.05 105.19 103.84 3e1b n GLY 72 Ca -0.14 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 3e1b n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3e1b s PRO 73 N -2.02 -0.94 -0.82 1.61 0.04 -1.26 -4.54 135.00 127.07 3e1b s PRO 73 Ca 0.01 0.33 -0.24 0.00 0.04 0.00 0.00 61.00 61.15 3e1b s PRO 73 Cb -0.00 -1.59 -0.19 0.00 0.04 0.00 0.00 34.50 32.75 3e1b s PRO 73 CO 0.01 -3.61 2.45 1.17 0.04 0.00 0.00 177.00 177.07 3e1b n LYS 74 N -4.76 0.39 -3.50 4.56 4.81 -1.26 -4.78 118.16 113.62 3e1b n LYS 74 Ca 0.08 -0.16 -0.27 0.00 -0.87 0.00 0.00 58.31 57.09 3e1b n LYS 74 Cb 0.58 -2.33 -0.10 0.00 0.02 0.00 0.00 35.03 33.19 3e1b n LYS 74 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3e1b n ASN 75 N 12.45 0.69 0.09 3.14 0.23 -1.24 -5.00 115.26 125.61 3e1b n ASN 75 Ca 0.55 -2.68 0.10 0.00 -0.53 0.00 0.00 54.58 52.03 3e1b n ASN 75 Cb 0.27 -0.62 0.43 0.00 -2.08 0.00 0.00 39.78 37.78 3e1b n ASN 75 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3e1b n ARG 76 N 2.35 0.13 -0.48 -3.83 0.63 -1.25 -2.82 116.66 111.39 3e1b n ARG 76 Ca 0.26 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 3e1b n ARG 76 Cb 0.45 -1.74 0.00 0.00 0.45 0.00 0.00 32.46 31.61 3e1b n ARG 76 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 3e1b n LYS 77 N -1.99 0.00 0.00 -0.14 -0.00 -1.26 -4.43 118.16 110.35 3e1b n LYS 77 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 3e1b n LYS 77 Cb 0.21 -0.48 0.00 0.00 -0.00 0.00 0.00 35.03 34.76 3e1b n LYS 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3e1b n PHE 78 N 1.78 0.00 -2.58 5.58 7.35 -1.26 -4.92 117.46 123.42 3e1b n PHE 78 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 3e1b n PHE 78 Cb 0.14 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.93 3e1b n PHE 78 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3e1b s ILE 79 N 0.00 3.89 0.00 -2.13 -5.25 -1.26 -0.65 121.20 115.80 3e1b s ILE 79 Ca 0.00 1.73 0.00 0.00 -0.99 0.00 0.00 60.65 61.39 3e1b s ILE 79 Cb 0.00 -4.10 0.00 0.00 2.95 0.00 0.00 42.46 41.31 3e1b s ILE 79 CO 0.00 0.34 0.00 -1.54 -1.79 0.00 0.00 174.94 171.95 3e1b n SER 80 N 1.97 0.00 0.29 4.36 3.41 -1.26 -4.68 113.62 117.70 3e1b n SER 80 Ca 0.01 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 3e1b n SER 80 Cb 0.46 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 65.19 3e1b n SER 80 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3e1b h ILE 81 N 0.00 0.00 0.00 -1.33 2.10 -1.63 -3.40 117.51 113.25 3e1b h ILE 81 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3e1b h ILE 81 Cb 0.00 0.63 0.00 0.00 -1.09 0.00 0.00 36.82 36.36 3e1b h ILE 81 CO 0.00 0.00 0.00 1.21 -1.08 0.00 0.00 178.15 178.28 3e1b n GLU 82 N -2.71 0.00 -3.94 2.19 2.13 -1.26 -5.03 120.64 112.01 3e1b n GLU 82 Ca -0.02 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.70 3e1b n GLU 82 Cb 0.30 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.90 3e1b n GLU 82 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3e1b s ALA 83 N -2.00 -0.04 -2.00 4.31 0.00 -1.26 -4.68 121.76 116.08 3e1b s ALA 83 Ca 0.00 -0.44 0.21 0.00 0.00 0.00 0.00 51.96 51.73 3e1b s ALA 83 Cb 0.00 0.14 1.25 0.00 0.00 0.00 0.00 23.12 24.51 3e1b s ALA 83 CO 0.00 -0.19 1.63 -1.91 0.00 0.00 0.00 175.76 175.29