#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d s TYR 2 N 0.00 1.19 0.75 1.12 4.12 -1.26 -4.71 117.35 118.56 3e1d s TYR 2 Ca 0.00 2.19 -0.15 0.00 0.02 0.00 0.00 57.07 59.13 3e1d s TYR 2 Cb 0.00 -3.37 0.03 0.00 -1.52 0.00 0.00 41.96 37.10 3e1d s TYR 2 CO 0.00 -1.00 1.08 0.00 0.02 0.00 0.00 175.55 175.66 3e1d n ALA 3 N 19.32 -0.03 0.16 3.71 0.00 -1.26 -4.34 120.51 138.09 3e1d n ALA 3 Ca 0.43 -0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.77 3e1d n ALA 3 Cb 0.45 -2.18 0.24 0.00 0.00 0.00 0.00 19.45 17.96 3e1d n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3e1d n VAL 4 N -2.72 0.61 -2.52 0.00 3.14 -1.26 -4.57 118.33 111.00 3e1d n VAL 4 Ca 0.13 -0.80 -0.41 0.00 -2.96 0.00 0.00 64.34 60.30 3e1d n VAL 4 Cb 0.50 0.89 -0.04 0.00 -1.06 0.00 0.00 33.84 34.13 3e1d n VAL 4 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 3e1d s PHE 5 N -1.39 3.61 0.00 1.45 2.19 -1.26 -4.94 117.98 117.64 3e1d s PHE 5 Ca 0.41 1.64 0.00 0.00 0.33 0.00 0.00 56.93 59.31 3e1d s PHE 5 Cb 0.24 -3.26 0.00 0.00 -1.31 0.00 0.00 43.02 38.68 3e1d s PHE 5 CO 0.32 -0.54 0.00 1.04 1.83 0.00 0.00 175.22 177.87 3e1d n GLN 6 N 2.08 0.00 -1.55 10.12 6.02 -1.26 -4.44 117.38 128.35 3e1d n GLN 6 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.62 3e1d n GLN 6 Cb 0.46 -0.46 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 3e1d n GLN 6 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3e1d n SER 7 N -1.35 2.40 0.00 1.08 7.64 -1.26 -0.75 113.62 121.39 3e1d n SER 7 Ca 0.00 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.64 3e1d n SER 7 Cb 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 3e1d n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e1d n GLY 8 N 6.02 0.41 0.00 0.23 0.00 -1.26 -3.98 105.19 106.62 3e1d n GLY 8 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3e1d n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1d n GLY 9 N -1.93 1.00 0.00 -0.02 0.00 0.07 -4.44 105.19 99.87 3e1d n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3e1d n GLY 9 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3e1d n LYS 10 N 0.00 0.00 -0.38 1.61 2.85 -0.28 -1.04 118.16 120.92 3e1d n LYS 10 Ca 0.00 0.21 0.30 0.00 -1.05 0.00 0.00 58.31 57.77 3e1d n LYS 10 Cb 0.19 -1.57 0.58 0.00 -0.65 0.00 0.00 35.03 33.58 3e1d n LYS 10 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 3e1d h GLN 11 N 0.00 0.23 0.00 -1.58 4.15 -1.89 -3.37 115.11 112.64 3e1d h GLN 11 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3e1d h GLN 11 Cb 0.13 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3e1d h GLN 11 CO 0.00 0.15 0.00 1.58 -1.93 0.00 0.00 178.83 178.63 3e1d n HIS 12 N -4.68 0.00 0.20 3.99 -0.00 -0.20 -4.15 115.22 110.38 3e1d n HIS 12 Ca 0.31 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.61 3e1d n HIS 12 Cb 1.16 0.00 0.63 0.00 -0.12 0.00 0.00 29.99 31.66 3e1d n HIS 12 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 3e1d h ARG 13 N 0.00 0.00 -6.80 1.57 9.65 -1.81 -3.41 114.38 113.58 3e1d h ARG 13 Ca 0.00 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 58.31 3e1d h ARG 13 Cb 0.00 0.00 0.17 0.00 -1.39 0.00 0.00 29.97 28.75 3e1d h ARG 13 CO 0.00 0.00 -0.04 1.33 2.80 0.00 0.00 179.97 184.06 3e1d n VAL 14 N -2.37 2.99 0.16 0.20 0.24 -1.26 -4.32 118.33 113.97 3e1d n VAL 14 Ca -0.02 -0.45 0.01 0.00 -2.04 0.00 0.00 64.34 61.85 3e1d n VAL 14 Cb 0.15 -1.01 0.33 0.00 -1.47 0.00 0.00 33.84 31.84 3e1d n VAL 14 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3e1d h SER 15 N 0.06 0.08 0.00 -1.34 0.87 -1.84 -3.39 113.55 107.99 3e1d h SER 15 Ca -0.47 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3e1d h SER 15 Cb 1.36 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3e1d h SER 15 CO 0.48 0.43 0.00 -0.62 -0.53 0.00 0.00 176.83 176.59 3e1d n GLU 16 N -4.09 0.00 0.00 2.24 1.02 -1.26 -1.14 120.64 117.40 3e1d n GLU 16 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3e1d n GLU 16 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 3e1d n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3e1d n GLY 17 N 0.99 1.03 3.84 0.62 0.00 -1.26 -4.12 105.19 106.29 3e1d n GLY 17 Ca 0.00 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 3e1d n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3e1d s GLN 18 N 0.00 4.03 -0.05 1.61 -0.21 -1.26 -5.18 119.66 118.59 3e1d s GLN 18 Ca 0.00 0.83 -0.17 0.00 0.02 0.00 0.00 55.36 56.04 3e1d s GLN 18 Cb 0.00 -2.29 0.03 0.00 1.00 0.00 0.00 33.01 31.75 3e1d s GLN 18 CO 0.00 -0.01 0.39 0.99 -2.12 0.00 0.00 175.29 174.54 3e1d s THR 19 N -2.22 0.03 0.57 -0.19 2.01 -1.26 -5.15 115.64 109.44 3e1d s THR 19 Ca 0.57 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 3e1d s THR 19 Cb -0.10 -0.66 -0.06 0.00 0.01 0.00 0.00 72.50 71.70 3e1d s THR 19 CO 0.21 -0.16 1.01 0.68 -0.69 0.00 0.00 174.62 175.67 3e1d s VAL 20 N -0.91 4.63 0.00 3.82 -7.23 -1.26 -4.77 120.40 114.68 3e1d s VAL 20 Ca -0.10 1.02 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 3e1d s VAL 20 Cb -0.04 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.10 3e1d s VAL 20 CO 0.04 -0.94 0.00 0.54 -0.31 0.00 0.00 175.10 174.43 3e1d n ARG 21 N -2.22 3.11 -2.27 4.82 1.74 -0.04 -4.52 116.66 117.28 3e1d n ARG 21 Ca 0.06 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 3e1d n ARG 21 Cb 0.54 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.97 3e1d n ARG 21 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3e1d s LEU 22 N 0.00 3.65 -0.02 0.55 2.34 -1.26 -3.67 118.68 120.28 3e1d s LEU 22 Ca 0.00 1.86 0.13 0.00 0.06 0.00 0.00 54.13 56.18 3e1d s LEU 22 Cb 0.00 -4.54 0.41 0.00 -0.56 0.00 0.00 46.19 41.50 3e1d s LEU 22 CO 0.00 -0.99 1.32 -1.84 -1.06 0.00 0.00 176.35 173.78 3e1d n GLU 23 N -1.56 2.23 -0.10 1.48 -0.00 -1.26 -4.61 120.64 116.82 3e1d n GLU 23 Ca 0.09 -1.65 0.00 0.00 -0.00 0.00 0.00 57.16 55.60 3e1d n GLU 23 Cb 0.53 -1.44 0.00 0.00 -0.00 0.00 0.00 31.44 30.53 3e1d n GLU 23 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3e1d n LYS 24 N 0.75 0.00 -0.13 3.44 2.85 -1.26 -4.61 118.16 119.20 3e1d n LYS 24 Ca 0.15 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.29 3e1d n LYS 24 Cb 0.44 -0.10 -0.02 0.00 -0.65 0.00 0.00 35.03 34.71 3e1d n LYS 24 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3e1d h LEU 25 N -0.20 1.00 0.00 -5.58 5.85 -2.05 -3.48 115.31 110.86 3e1d h LEU 25 Ca 0.00 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 3e1d h LEU 25 Cb 0.83 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3e1d h LEU 25 CO 0.00 1.23 -0.03 -0.90 -0.34 0.00 0.00 178.44 178.40 3e1d n ASP 26 N -4.10 0.85 -4.54 1.25 5.68 -1.26 -5.02 116.55 109.41 3e1d n ASP 26 Ca -0.02 -1.24 -0.56 0.00 -0.50 0.00 0.00 54.79 52.48 3e1d n ASP 26 Cb 0.51 -0.03 -0.08 0.00 -1.14 0.00 0.00 41.12 40.38 3e1d n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3e1d n ILE 27 N -0.88 0.20 -0.68 2.12 0.00 -1.26 -4.86 119.36 114.01 3e1d n ILE 27 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 62.75 62.65 3e1d n ILE 27 Cb 0.08 -1.23 0.00 0.00 0.00 0.00 0.00 39.64 38.50 3e1d n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3e1d n ALA 28 N 7.27 1.46 0.39 1.51 0.00 -1.26 -4.74 120.51 125.14 3e1d n ALA 28 Ca 0.37 -0.78 0.05 0.00 0.00 0.00 0.00 53.44 53.08 3e1d n ALA 28 Cb 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 3e1d n ALA 28 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3e1d n THR 29 N -0.23 0.00 0.37 0.00 5.66 -1.26 -4.27 114.28 114.55 3e1d n THR 29 Ca 0.01 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 3e1d n THR 29 Cb 0.42 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.04 3e1d n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3e1d n GLY 30 N 1.38 -0.08 5.00 1.09 0.00 -1.26 -4.54 105.19 106.79 3e1d n GLY 30 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3e1d n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3e1d n GLU 31 N -0.28 0.00 -3.82 1.61 2.13 -1.23 -4.78 120.64 114.28 3e1d n GLU 31 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 3e1d n GLU 31 Cb 0.01 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.64 3e1d n GLU 31 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 3e1d s THR 32 N 0.00 0.10 0.00 6.31 -1.32 -1.26 -1.97 115.64 117.50 3e1d s THR 32 Ca 0.00 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.66 3e1d s THR 32 Cb 0.00 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 3e1d s THR 32 CO 0.00 -0.45 0.58 0.52 -2.21 0.00 0.00 174.62 173.05 3e1d n VAL 33 N 0.68 0.24 -0.04 5.08 0.31 0.46 -5.00 118.33 120.05 3e1d n VAL 33 Ca -0.19 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 3e1d n VAL 33 Cb 0.59 0.96 0.00 0.00 -0.91 0.00 0.00 33.84 34.48 3e1d n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3e1d n GLU 34 N -0.12 0.00 -2.52 5.55 -0.58 -1.23 -4.93 120.64 116.80 3e1d n GLU 34 Ca 0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 3e1d n GLU 34 Cb 0.09 -1.64 0.04 0.00 -0.57 0.00 0.00 31.44 29.37 3e1d n GLU 34 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 3e1d s PHE 35 N -0.36 2.99 -0.15 -0.32 -0.12 -1.26 -4.85 117.98 113.91 3e1d s PHE 35 Ca 0.00 0.26 -0.01 0.00 -0.05 0.00 0.00 56.93 57.14 3e1d s PHE 35 Cb 0.00 -2.81 0.04 0.00 -0.63 0.00 0.00 43.02 39.61 3e1d s PHE 35 CO 0.00 -0.95 -0.05 0.00 -0.05 0.00 0.00 175.22 174.17 3e1d s ALA 36 N -2.91 1.40 -0.72 1.99 0.00 -1.26 -0.67 121.76 119.59 3e1d s ALA 36 Ca 0.56 -0.73 0.25 0.00 0.00 0.00 0.00 51.96 52.05 3e1d s ALA 36 Cb -0.10 -1.06 0.63 0.00 0.00 0.00 0.00 23.12 22.59 3e1d s ALA 36 CO 0.41 -0.70 1.58 0.39 0.00 0.00 0.00 175.76 177.45 3e1d n GLU 37 N 4.91 0.25 -4.00 0.00 1.02 -1.13 -4.92 120.64 116.76 3e1d n GLU 37 Ca -0.12 0.14 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 3e1d n GLU 37 Cb 0.48 -1.73 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 3e1d n GLU 37 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3e1d s VAL 38 N -3.12 0.15 0.00 2.62 -7.23 -1.26 -5.02 120.40 106.54 3e1d s VAL 38 Ca 0.09 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 3e1d s VAL 38 Cb 0.13 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.29 3e1d s VAL 38 CO 0.65 -0.68 0.00 0.18 -0.31 0.00 0.00 175.10 174.94 3e1d n LEU 39 N 0.97 0.00 -2.70 1.32 4.77 -1.26 -3.39 117.00 116.71 3e1d n LEU 39 Ca -0.20 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.70 3e1d n LEU 39 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3e1d n LEU 39 CO 0.23 0.00 1.28 0.80 -1.33 0.00 0.00 177.39 178.37 3e1d n MET 40 N 0.00 0.87 -0.05 3.23 1.56 -1.26 -3.61 117.12 117.85 3e1d n MET 40 Ca 0.00 -0.65 -0.04 0.00 -0.27 0.00 0.00 57.70 56.74 3e1d n MET 40 Cb 0.00 -1.94 -0.01 0.00 2.15 0.00 0.00 33.22 33.42 3e1d n MET 40 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 3e1d n ILE 41 N 3.66 1.04 -3.97 1.12 -0.00 -1.26 -4.72 119.36 115.23 3e1d n ILE 41 Ca 0.19 0.28 -0.12 0.00 -0.00 0.00 0.00 62.75 63.10 3e1d n ILE 41 Cb 0.18 -2.14 -0.02 0.00 -0.00 0.00 0.00 39.64 37.67 3e1d n ILE 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3e1d s ALA 42 N -2.84 0.03 0.34 -1.28 0.00 -1.26 -4.47 121.76 112.28 3e1d s ALA 42 Ca -0.13 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.70 3e1d s ALA 42 Cb 0.02 0.96 0.00 0.00 0.00 0.00 0.00 23.12 24.10 3e1d s ALA 42 CO 0.20 -0.88 0.00 -1.71 0.00 0.00 0.00 175.76 173.37 3e1d n ASN 43 N -1.26 -1.30 0.16 0.00 5.15 -1.26 -1.86 115.26 114.89 3e1d n ASN 43 Ca -0.03 0.61 0.03 0.00 -0.60 0.00 0.00 54.58 54.59 3e1d n ASN 43 Cb 0.61 1.39 0.18 0.00 -0.53 0.00 0.00 39.78 41.42 3e1d n ASN 43 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3e1d h GLY 44 N 0.00 0.00 0.14 8.20 0.00 -1.81 -3.10 103.07 106.50 3e1d h GLY 44 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3e1d h GLY 44 CO 0.00 0.00 0.89 0.83 0.00 0.00 0.00 176.54 178.26 3e1d h GLU 45 N 0.00 0.00 -0.23 4.80 5.08 -1.83 -2.86 114.58 119.53 3e1d h GLU 45 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3e1d h GLU 45 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3e1d h GLU 45 CO 0.06 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.22 3e1d n GLU 46 N -2.71 2.85 -4.19 2.33 0.28 -1.17 -5.06 120.64 112.98 3e1d n GLU 46 Ca 0.03 -1.85 -0.12 0.00 -0.16 0.00 0.00 57.16 55.06 3e1d n GLU 46 Cb 0.94 -1.18 -0.10 0.00 1.43 0.00 0.00 31.44 32.53 3e1d n GLU 46 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3e1d s VAL 47 N -0.99 0.12 -1.47 3.84 0.11 -1.08 -5.04 120.40 115.89 3e1d s VAL 47 Ca 0.16 -1.97 0.00 0.00 -2.93 0.00 0.00 61.98 57.24 3e1d s VAL 47 Cb 0.08 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.60 3e1d s VAL 47 CO 0.11 -0.19 0.18 2.29 -3.33 0.00 0.00 175.10 174.15 3e1d n LYS 48 N -0.22 0.24 -3.68 1.54 2.85 -1.26 -4.23 118.16 113.40 3e1d n LYS 48 Ca -0.01 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.99 3e1d n LYS 48 Cb 0.65 -1.06 -0.17 0.00 -0.65 0.00 0.00 35.03 33.80 3e1d n LYS 48 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3e1d s ILE 49 N -1.47 0.15 -0.14 0.58 1.01 -1.26 -5.15 121.20 114.92 3e1d s ILE 49 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 3e1d s ILE 49 Cb 0.00 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 3e1d s ILE 49 CO 0.00 -0.13 0.07 -0.83 0.00 0.00 0.00 174.94 174.05 3e1d s GLY 50 N 2.04 1.98 -0.03 6.18 0.00 -1.26 -4.58 107.32 111.64 3e1d s GLY 50 Ca 0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 43.98 3e1d s GLY 50 CO -0.07 -0.23 0.10 0.54 0.00 0.00 0.00 173.10 173.44 3e1d s VAL 51 N -0.37 0.01 -2.09 1.40 0.11 -1.26 -5.01 120.40 113.19 3e1d s VAL 51 Ca 0.09 -0.05 0.16 0.00 -2.93 0.00 0.00 61.98 59.25 3e1d s VAL 51 Cb -0.12 -0.16 0.40 0.00 -1.53 0.00 0.00 36.38 34.97 3e1d s VAL 51 CO 0.02 -0.03 1.50 -0.81 -3.33 0.00 0.00 175.10 172.45 3e1d n PRO 52 N 2.93 1.32 -3.14 1.54 -0.04 -1.26 -3.60 135.00 132.76 3e1d n PRO 52 Ca -0.13 -0.48 -0.08 0.00 -0.04 0.00 0.00 63.50 62.77 3e1d n PRO 52 Cb 0.59 -1.28 0.01 0.00 -0.04 0.00 0.00 33.50 32.79 3e1d n PRO 52 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3e1d n PHE 53 N -0.25 -1.84 -1.54 0.54 -1.74 -1.26 -5.05 117.46 106.32 3e1d n PHE 53 Ca 0.12 -1.48 -0.19 0.00 -0.56 0.00 0.00 57.45 55.35 3e1d n PHE 53 Cb 0.16 0.63 -0.11 0.00 1.52 0.00 0.00 39.48 41.68 3e1d n PHE 53 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 3e1d n VAL 54 N -0.41 0.25 -3.79 1.97 0.31 -1.26 -4.77 118.33 110.63 3e1d n VAL 54 Ca -0.05 -0.26 -0.28 0.00 -0.01 0.00 0.00 64.34 63.74 3e1d n VAL 54 Cb 0.44 -2.02 -0.11 0.00 -0.91 0.00 0.00 33.84 31.23 3e1d n VAL 54 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3e1d n ASP 55 N 18.38 2.46 0.00 4.52 4.64 -1.26 -5.05 116.55 140.24 3e1d n ASP 55 Ca 0.42 -3.08 0.00 0.00 -1.38 0.00 0.00 54.79 50.75 3e1d n ASP 55 Cb 0.46 -0.72 0.00 0.00 -1.04 0.00 0.00 41.12 39.82 3e1d n ASP 55 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3e1d n GLY 56 N 2.05 0.87 2.72 0.27 0.00 -1.26 -4.35 105.19 105.49 3e1d n GLY 56 Ca 0.22 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 3e1d n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1d n GLY 57 N 0.00 -1.01 3.21 -0.02 0.00 -1.20 -4.24 105.19 101.92 3e1d n GLY 57 Ca 0.00 0.77 -0.44 0.00 0.00 0.00 0.00 46.02 46.36 3e1d n GLY 57 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3e1d n VAL 58 N 2.54 4.44 -0.55 1.61 3.14 -0.77 -4.68 118.33 124.05 3e1d n VAL 58 Ca 0.13 -4.83 0.00 0.00 -2.96 0.00 0.00 64.34 56.68 3e1d n VAL 58 Cb 0.61 -2.41 0.00 0.00 -1.06 0.00 0.00 33.84 30.99 3e1d n VAL 58 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 3e1d n ILE 59 N 3.60 0.00 -3.95 1.55 2.08 -1.26 -4.89 119.36 116.48 3e1d n ILE 59 Ca 0.35 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.35 3e1d n ILE 59 Cb 0.39 -0.36 -0.14 0.00 -0.75 0.00 0.00 39.64 38.79 3e1d n ILE 59 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3e1d s LYS 60 N -0.71 1.87 0.83 0.38 2.47 -1.26 -5.11 119.74 118.21 3e1d s LYS 60 Ca 0.00 -2.39 -0.12 0.00 -1.56 0.00 0.00 55.97 51.90 3e1d s LYS 60 Cb 0.00 -3.32 0.09 0.00 -1.46 0.00 0.00 37.83 33.14 3e1d s LYS 60 CO 0.00 -1.06 1.11 0.00 0.16 0.00 0.00 175.35 175.56 3e1d s ALA 61 N 0.10 2.13 -0.28 3.13 0.00 -1.26 -4.85 121.76 120.73 3e1d s ALA 61 Ca 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 3e1d s ALA 61 Cb -0.24 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 19.84 3e1d s ALA 61 CO -0.03 -1.89 -0.01 -2.00 0.00 0.00 0.00 175.76 171.83 3e1d s GLU 62 N -5.22 2.75 0.26 0.00 2.12 -1.22 -4.97 118.70 112.42 3e1d s GLU 62 Ca 0.62 -1.05 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 3e1d s GLU 62 Cb -0.14 -3.13 -0.09 0.00 0.26 0.00 0.00 34.13 31.03 3e1d s GLU 62 CO 0.54 -0.48 1.11 0.54 -0.54 0.00 0.00 175.26 176.42 3e1d s VAL 63 N 1.34 3.55 -0.74 3.70 0.11 -1.26 -2.86 120.40 124.23 3e1d s VAL 63 Ca -0.01 1.49 -0.26 0.00 -2.93 0.00 0.00 61.98 60.27 3e1d s VAL 63 Cb -0.18 -3.95 -0.01 0.00 -1.53 0.00 0.00 36.38 30.72 3e1d s VAL 63 CO -0.02 0.33 1.69 -0.69 -3.33 0.00 0.00 175.10 173.08 3e1d s VAL 64 N -0.92 3.52 -0.43 2.04 1.01 0.16 -4.93 120.40 120.85 3e1d s VAL 64 Ca 0.46 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.54 3e1d s VAL 64 Cb -0.32 -4.32 0.20 0.00 0.00 0.00 0.00 36.38 31.95 3e1d s VAL 64 CO 0.40 -1.26 0.44 0.00 0.00 0.00 0.00 175.10 174.67 3e1d n ALA 65 N 11.74 2.78 0.75 5.51 0.00 -1.26 -0.40 120.51 139.63 3e1d n ALA 65 Ca 0.21 -3.37 0.10 0.00 0.00 0.00 0.00 53.44 50.37 3e1d n ALA 65 Cb 0.50 -0.80 0.44 0.00 0.00 0.00 0.00 19.45 19.60 3e1d n ALA 65 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3e1d n HIS 66 N 2.14 0.00 -3.52 0.00 1.44 -1.06 -3.50 115.22 110.72 3e1d n HIS 66 Ca 0.26 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.97 3e1d n HIS 66 Cb 0.49 -0.44 0.00 0.00 0.12 0.00 0.00 29.99 30.16 3e1d n HIS 66 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3e1d n GLY 67 N 0.49 -2.08 2.67 -1.39 0.00 -0.83 -4.54 105.19 99.50 3e1d n GLY 67 Ca 0.06 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 3e1d n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1d n ARG 68 N -0.02 2.75 -0.66 1.61 1.74 -1.26 -3.49 116.66 117.33 3e1d n ARG 68 Ca 0.00 -4.39 -0.12 0.00 -0.77 0.00 0.00 57.85 52.56 3e1d n ARG 68 Cb 0.00 -2.07 -0.08 0.00 -1.02 0.00 0.00 32.46 29.29 3e1d n ARG 68 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3e1d n GLY 69 N -0.21 2.54 0.08 -0.13 0.00 -1.26 -4.72 105.19 101.48 3e1d n GLY 69 Ca 0.30 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 3e1d n GLY 69 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3e1d h GLU 70 N 4.83 0.00 -6.77 1.61 5.08 -1.96 -3.45 114.58 113.91 3e1d h GLU 70 Ca 0.25 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.11 3e1d h GLU 70 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 3e1d h GLU 70 CO 0.70 0.72 0.41 0.15 -1.00 0.00 0.00 179.01 180.00 3e1d s LYS 71 N -2.71 4.75 -0.80 2.33 1.02 -1.26 -4.93 119.74 118.13 3e1d s LYS 71 Ca -0.01 1.64 -0.26 0.00 0.02 0.00 0.00 55.97 57.36 3e1d s LYS 71 Cb 0.09 -3.24 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3e1d s LYS 71 CO 0.81 0.36 1.50 0.14 -0.92 0.00 0.00 175.35 177.24 3e1d s VAL 72 N -1.14 3.67 0.36 3.17 -7.23 -1.26 -4.99 120.40 112.98 3e1d s VAL 72 Ca 0.43 0.01 -0.06 0.00 -1.81 0.00 0.00 61.98 60.55 3e1d s VAL 72 Cb -0.29 -4.68 0.09 0.00 0.56 0.00 0.00 36.38 32.06 3e1d s VAL 72 CO 0.36 -1.61 0.21 0.29 -0.31 0.00 0.00 175.10 174.04 3e1d n LYS 73 N 9.17 -2.66 -2.07 4.82 5.02 -1.26 -4.96 118.16 126.22 3e1d n LYS 73 Ca 0.17 -0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 3e1d n LYS 73 Cb 0.50 -0.46 -0.03 0.00 -0.02 0.00 0.00 35.03 35.02 3e1d n LYS 73 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3e1d s ILE 74 N -1.26 3.11 0.00 -0.18 2.07 -1.26 -4.96 121.20 118.73 3e1d s ILE 74 Ca 0.16 0.75 0.00 0.00 -1.41 0.00 0.00 60.65 60.15 3e1d s ILE 74 Cb -0.03 -3.48 0.00 0.00 0.13 0.00 0.00 42.46 39.08 3e1d s ILE 74 CO 0.13 0.04 0.00 0.52 -1.91 0.00 0.00 174.94 173.73 3e1d n VAL 75 N 4.14 0.00 -4.95 4.00 0.31 -1.26 -5.04 118.33 115.52 3e1d n VAL 75 Ca 0.13 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.14 3e1d n VAL 75 Cb 0.41 -0.28 -0.14 0.00 -0.91 0.00 0.00 33.84 32.92 3e1d n VAL 75 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3e1d s LYS 76 N -1.53 2.38 0.06 5.55 -2.85 -1.26 -5.00 119.74 117.08 3e1d s LYS 76 Ca 0.00 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.20 3e1d s LYS 76 Cb 0.00 -2.29 0.00 0.00 -2.06 0.00 0.00 37.83 33.49 3e1d s LYS 76 CO 0.00 0.60 0.03 0.34 0.10 0.00 0.00 175.35 176.42 3e1d n PHE 77 N 2.25 -1.04 -3.69 1.78 -0.00 -1.26 -5.16 117.46 110.34 3e1d n PHE 77 Ca -0.17 -0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.03 3e1d n PHE 77 Cb 0.52 -0.04 0.00 0.00 -0.00 0.00 0.00 39.48 39.96 3e1d n PHE 77 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3e1d n ARG 78 N -0.51 1.79 -3.76 -4.13 5.12 -1.26 -4.83 116.66 109.08 3e1d n ARG 78 Ca -0.01 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.78 3e1d n ARG 78 Cb 0.07 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.23 3e1d n ARG 78 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3e1d s ARG 79 N -1.07 0.11 0.10 5.56 3.52 -0.76 -5.03 118.95 121.37 3e1d s ARG 79 Ca 0.00 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 3e1d s ARG 79 Cb 0.00 -0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.26 3e1d s ARG 79 CO 0.00 -0.14 0.00 -2.13 -0.81 0.00 0.00 175.30 172.22 3e1d n ARG 80 N 3.97 0.00 -1.49 5.12 0.00 -1.23 -1.74 116.66 121.28 3e1d n ARG 80 Ca -0.24 0.00 -0.59 0.00 -0.00 0.00 0.00 57.85 57.03 3e1d n ARG 80 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.91 3e1d n ARG 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3e1d n LYS 81 N -2.80 0.00 0.00 -0.14 0.00 -1.26 -1.21 118.16 112.75 3e1d n LYS 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3e1d n LYS 81 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.55 3e1d n LYS 81 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3e1d n HIS 82 N 1.64 0.00 -1.20 5.64 -0.00 -1.26 -3.59 115.22 116.46 3e1d n HIS 82 Ca 0.20 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.43 3e1d n HIS 82 Cb 0.07 0.00 0.22 0.00 -0.12 0.00 0.00 29.99 30.16 3e1d n HIS 82 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3e1d n TYR 83 N 2.80 0.78 -0.27 1.57 0.53 -1.24 -4.95 117.16 116.38 3e1d n TYR 83 Ca 0.00 -1.18 0.00 0.00 -1.02 0.00 0.00 57.90 55.70 3e1d n TYR 83 Cb 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 39.34 37.96 3e1d n TYR 83 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3e1d n ARG 84 N -0.92 0.67 -2.18 -0.72 3.00 -0.35 -4.92 116.66 111.24 3e1d n ARG 84 Ca 0.24 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.78 3e1d n ARG 84 Cb 0.89 -1.16 -0.05 0.00 0.00 0.00 0.00 32.46 32.14 3e1d n ARG 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3e1d s LYS 85 N 0.64 2.83 -0.21 5.56 2.20 -1.26 -3.50 119.74 126.00 3e1d s LYS 85 Ca 0.00 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 54.80 3e1d s LYS 85 Cb 0.00 -5.20 0.02 0.00 -1.51 0.00 0.00 37.83 31.14 3e1d s LYS 85 CO 0.00 -3.25 -0.12 -0.65 -0.36 0.00 0.00 175.35 170.96 3e1d s GLN 86 N 6.30 3.01 0.00 4.03 -0.21 -0.71 -5.01 119.66 127.07 3e1d s GLN 86 Ca 0.64 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 55.18 3e1d s GLN 86 Cb -0.03 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 31.19 3e1d s GLN 86 CO 0.02 -0.27 0.14 0.00 -2.12 0.00 0.00 175.29 173.06 3e1d n GLN 87 N 4.66 0.16 0.00 2.91 -0.00 -1.26 -1.83 117.38 122.02 3e1d n GLN 87 Ca -0.19 -0.14 0.00 0.00 -0.00 0.00 0.00 57.00 56.67 3e1d n GLN 87 Cb 0.49 -0.58 0.00 0.00 -0.00 0.00 0.00 30.24 30.15 3e1d n GLN 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3e1d n GLY 88 N 0.06 0.47 4.08 2.61 0.00 -1.26 -5.00 105.19 106.15 3e1d n GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3e1d n GLY 88 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3e1d n HIS 89 N 0.00 0.00 -2.19 1.61 -0.00 -1.26 -4.90 115.22 108.47 3e1d n HIS 89 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 3e1d n HIS 89 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 3e1d n HIS 89 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 3e1d s ARG 90 N 0.00 2.86 0.24 1.57 3.00 -1.26 -4.99 118.95 120.37 3e1d s ARG 90 Ca 0.00 -0.95 -0.31 0.00 -1.00 0.00 0.00 55.73 53.47 3e1d s ARG 90 Cb 0.00 -5.23 -0.13 0.00 0.00 0.00 0.00 34.95 29.59 3e1d s ARG 90 CO 0.00 -3.30 1.51 0.00 0.00 0.00 0.00 175.30 173.51 3e1d n GLN 91 N 8.59 2.31 -2.44 5.12 10.64 -1.26 -4.93 117.38 135.41 3e1d n GLN 91 Ca 0.42 0.83 -0.36 0.00 -1.83 0.00 0.00 57.00 56.06 3e1d n GLN 91 Cb 0.47 -2.55 -0.03 0.00 -0.86 0.00 0.00 30.24 27.27 3e1d n GLN 91 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.06 174.77 3e1d s TRP 92 N 0.18 3.06 0.24 2.61 -0.00 -1.26 -5.11 118.94 118.67 3e1d s TRP 92 Ca 0.69 1.59 -0.02 0.00 -0.00 0.00 0.00 56.10 58.36 3e1d s TRP 92 Cb -0.59 -3.20 -0.03 0.00 -0.00 0.00 0.00 33.47 29.64 3e1d s TRP 92 CO 0.46 -0.99 0.25 -0.59 -0.00 0.00 0.00 176.95 176.08 3e1d s PHE 93 N -1.69 1.07 0.14 5.86 -0.71 -1.26 -5.22 117.98 116.18 3e1d s PHE 93 Ca 0.62 -1.28 -0.02 0.00 -1.04 0.00 0.00 56.93 55.21 3e1d s PHE 93 Cb -0.23 -0.39 0.01 0.00 -1.21 0.00 0.00 43.02 41.20 3e1d s PHE 93 CO 0.28 -0.78 0.23 -2.37 -1.34 0.00 0.00 175.22 171.24 3e1d n THR 94 N -0.36 0.00 -4.28 -4.49 5.66 -1.26 -4.86 114.28 104.70 3e1d n THR 94 Ca 0.02 -0.61 -0.15 0.00 -3.05 0.00 0.00 64.05 60.25 3e1d n THR 94 Cb 0.64 0.42 -0.10 0.00 -1.55 0.00 0.00 70.33 69.75 3e1d n THR 94 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3e1d s ASP 95 N -1.85 1.97 0.27 1.09 3.84 -1.26 -4.39 116.67 116.34 3e1d s ASP 95 Ca 0.10 -1.03 -0.18 0.00 -0.00 0.00 0.00 52.55 51.44 3e1d s ASP 95 Cb -0.01 -0.04 0.01 0.00 -1.38 0.00 0.00 42.92 41.51 3e1d s ASP 95 CO 0.07 -0.30 0.64 0.68 -0.00 0.00 0.00 175.17 176.25 3e1d s VAL 96 N -3.25 0.00 0.29 2.11 -7.23 -1.24 -4.95 120.40 106.13 3e1d s VAL 96 Ca 0.19 -1.13 0.06 0.00 -1.81 0.00 0.00 61.98 59.28 3e1d s VAL 96 Cb 0.02 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 3e1d s VAL 96 CO 0.02 -0.00 0.27 2.29 -0.31 0.00 0.00 175.10 177.37 3e1d n LYS 97 N -0.43 0.39 -3.09 4.82 0.00 -1.26 -0.86 118.16 117.72 3e1d n LYS 97 Ca -0.03 -2.82 -0.32 0.00 -0.00 0.00 0.00 58.31 55.13 3e1d n LYS 97 Cb 0.60 2.37 -0.06 0.00 -0.00 0.00 0.00 35.03 37.93 3e1d n LYS 97 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 3e1d s ILE 98 N -3.11 4.65 -2.00 0.58 -1.16 -1.26 -4.30 121.20 114.59 3e1d s ILE 98 Ca 0.33 1.01 0.15 0.00 -0.51 0.00 0.00 60.65 61.63 3e1d s ILE 98 Cb 0.01 -3.61 0.44 0.00 0.61 0.00 0.00 42.46 39.91 3e1d s ILE 98 CO 0.24 -0.21 1.33 0.35 -2.81 0.00 0.00 174.94 173.84 3e1d n THR 99 N -0.42 0.00 0.00 4.00 -2.24 -1.23 -4.89 114.28 109.49 3e1d n THR 99 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3e1d n THR 99 Cb 0.53 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 3e1d n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e1d n GLY 100 N 0.02 0.56 3.55 3.38 0.00 -1.26 -4.97 105.19 106.47 3e1d n GLY 100 Ca 0.12 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 3e1d n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3e1d n ILE 101 N 0.33 -0.05 0.31 -0.61 -0.00 -1.26 -4.84 119.36 113.24 3e1d n ILE 101 Ca 0.00 -0.65 0.18 0.00 -0.00 0.00 0.00 62.75 62.28 3e1d n ILE 101 Cb 0.00 -2.31 1.00 0.00 -0.00 0.00 0.00 39.64 38.32 3e1d n ILE 101 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 3e1d h SER 102 N 16.65 0.00 0.00 4.38 0.87 -2.00 -3.46 113.55 129.99 3e1d h SER 102 Ca -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3e1d h SER 102 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3e1d h SER 102 CO 1.14 0.02 0.00 0.00 -0.53 0.00 0.00 176.83 177.46