#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6s n GLU 2 N 0.00 0.00 -0.09 1.61 2.13 -1.26 -4.12 120.64 118.91 1a6s n GLU 2 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1a6s n GLU 2 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1a6s n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a6s h ALA 3 N 0.00 0.36 -0.83 4.31 0.00 -1.99 2.75 119.26 123.86 1a6s h ALA 3 Ca 0.00 -0.33 0.16 0.00 0.00 0.00 0.00 54.91 54.74 1a6s h ALA 3 Cb 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 17.55 1a6s h ALA 3 CO 0.00 0.26 -0.23 -0.39 0.00 0.00 0.00 179.25 178.88 1a6s h VAL 4 N 0.28 0.15 0.03 0.00 -1.51 -1.85 1.85 116.25 115.20 1a6s h VAL 4 Ca 0.05 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.28 1a6s h VAL 4 Cb 0.68 0.15 -0.03 0.00 -2.13 0.00 0.00 31.29 29.96 1a6s h VAL 4 CO 0.04 0.00 -1.30 0.40 -1.23 0.00 0.00 177.57 175.48 1a6s h ILE 5 N -0.01 0.95 -1.20 7.19 1.08 -1.66 -3.26 117.51 120.60 1a6s h ILE 5 Ca 0.38 -2.24 0.34 0.00 -0.39 0.00 0.00 64.86 62.96 1a6s h ILE 5 Cb 0.61 2.41 -0.09 0.00 -3.07 0.00 0.00 36.82 36.67 1a6s h ILE 5 CO -0.86 0.47 0.80 0.50 -0.69 0.00 0.00 178.15 178.37 1a6s h LYS 6 N -0.75 0.19 0.47 2.37 1.63 0.54 0.65 116.57 121.67 1a6s h LYS 6 Ca -0.33 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.44 1a6s h LYS 6 Cb 1.45 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 1a6s h LYS 6 CO -0.12 0.13 -0.22 -0.24 -3.45 0.00 0.00 179.45 175.55 1a6s h VAL 7 N 0.20 0.00 -0.98 2.00 3.04 0.27 0.68 116.25 121.46 1a6s h VAL 7 Ca 0.66 -0.30 0.21 0.00 -1.01 0.00 0.00 66.70 66.27 1a6s h VAL 7 Cb 2.08 0.00 -0.12 0.00 -2.01 0.00 0.00 31.29 31.25 1a6s h VAL 7 CO -0.25 0.00 0.56 0.40 -1.01 0.00 0.00 177.57 177.28 1a6s h ILE 8 N -0.93 0.61 0.12 3.17 2.04 -1.01 5.91 117.51 127.43 1a6s h ILE 8 Ca -0.06 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1a6s h ILE 8 Cb 0.48 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1a6s h ILE 8 CO 0.11 0.11 -0.06 -1.28 0.00 0.00 0.00 178.15 177.03 1a6s h SER 9 N 0.63 -0.14 0.15 1.72 0.87 0.25 0.40 113.55 117.43 1a6s h SER 9 Ca 0.60 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.15 1a6s h SER 9 Cb 1.04 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1a6s h SER 9 CO -0.44 -0.06 -0.07 -1.28 -0.53 0.00 0.00 176.83 174.45 1a6s h SER 10 N -0.24 -0.16 -0.29 6.23 0.87 0.82 -2.87 113.55 117.90 1a6s h SER 10 Ca -0.02 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1a6s h SER 10 Cb 0.12 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.05 1a6s h SER 10 CO 0.03 -0.09 -0.28 0.00 -0.53 0.00 0.00 176.83 175.95 1a6s h ALA 11 N 0.63 -0.18 -0.84 6.23 0.00 1.20 14.75 119.26 141.06 1a6s h ALA 11 Ca -0.02 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1a6s h ALA 11 Cb 0.17 0.60 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 1a6s h ALA 11 CO 0.03 -0.71 -0.38 0.00 0.00 0.00 0.00 179.25 178.20 1a6s n LYS 13 N -5.18 0.49 -0.36 0.00 3.00 -0.28 -3.66 118.16 112.18 1a6s n LYS 13 Ca 0.06 0.38 0.35 0.00 -0.00 0.00 0.00 58.31 59.10 1a6s n LYS 13 Cb 0.30 -1.57 0.72 0.00 0.00 0.00 0.00 35.03 34.48 1a6s n LYS 13 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1a6s h THR 14 N -1.00 0.38 0.00 3.15 2.02 3.39 8.30 112.91 129.15 1a6s h THR 14 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1a6s h THR 14 Cb 0.74 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1a6s h THR 14 CO -0.00 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.90 1a6s n TYR 15 N -4.25 0.00 -2.04 3.16 4.19 1.30 -3.03 117.16 116.50 1a6s n TYR 15 Ca 0.27 0.00 -0.34 0.00 3.31 0.00 0.00 57.90 61.14 1a6s n TYR 15 Cb 1.26 0.00 0.03 0.00 0.49 0.00 0.00 39.34 41.12 1a6s n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6s n GLY 17 N -0.58 0.32 5.43 0.00 0.00 1.20 -4.73 105.19 106.84 1a6s n GLY 17 Ca 0.50 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.57 1a6s n GLY 17 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a6s n LYS 18 N 0.00 -0.76 -0.06 1.61 2.85 2.39 -3.99 118.16 120.21 1a6s n LYS 18 Ca 0.00 0.50 -0.10 0.00 -1.05 0.00 0.00 58.31 57.66 1a6s n LYS 18 Cb 0.00 -0.92 -0.04 0.00 -0.65 0.00 0.00 35.03 33.42 1a6s n LYS 18 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1a6s h THR 19 N -0.35 1.13 0.00 0.58 2.02 -1.83 -2.50 112.91 111.97 1a6s h THR 19 Ca 0.01 -0.38 -0.53 0.00 0.77 0.00 0.00 66.41 66.28 1a6s h THR 19 Cb 0.34 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 1a6s h THR 19 CO 0.00 0.13 1.43 -0.24 0.37 0.00 0.00 175.52 177.21 1a6s n SER 20 N -4.86 0.40 -3.82 4.18 2.88 -1.26 -4.86 113.62 106.29 1a6s n SER 20 Ca -0.03 0.32 -0.30 0.00 -1.33 0.00 0.00 58.87 57.52 1a6s n SER 20 Cb 0.09 -0.81 0.23 0.00 -0.75 0.00 0.00 64.21 62.97 1a6s n SER 20 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1a6s s PRO 21 N 7.09 -0.57 0.00 -1.46 0.04 -1.26 -4.98 135.00 133.87 1a6s s PRO 21 Ca 1.16 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1a6s s PRO 21 Cb -1.20 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1a6s s PRO 21 CO 0.49 -3.23 0.00 0.43 0.04 0.00 0.00 177.00 174.73 1a6s n SER 22 N -4.36 0.00 -0.86 6.66 7.64 -1.26 -5.08 113.62 116.36 1a6s n SER 22 Ca 0.16 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.11 1a6s n SER 22 Cb 0.59 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1a6s n SER 22 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1a6s n LYS 23 N 0.00 -2.06 0.00 1.43 4.01 -1.26 -4.76 118.16 115.53 1a6s n LYS 23 Ca 0.00 1.67 0.00 0.00 -0.51 0.00 0.00 58.31 59.47 1a6s n LYS 23 Cb 0.00 -2.30 0.00 0.00 -0.51 0.00 0.00 35.03 32.22 1a6s n LYS 23 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1a6s n LYS 24 N -3.08 0.00 0.00 1.97 5.02 -1.26 -4.76 118.16 116.05 1a6s n LYS 24 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1a6s n LYS 24 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 1a6s n LYS 24 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1a6s n GLU 25 N 0.00 0.00 0.02 1.97 2.13 -1.26 0.28 120.64 123.78 1a6s n GLU 25 Ca 0.00 0.57 -0.15 0.00 0.66 0.00 0.00 57.16 58.25 1a6s n GLU 25 Cb 0.00 -0.94 -0.04 0.00 0.27 0.00 0.00 31.44 30.73 1a6s n GLU 25 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1a6s h ILE 26 N 0.00 1.33 0.00 6.31 1.08 -1.85 -2.36 117.51 122.01 1a6s h ILE 26 Ca 0.00 -2.13 0.00 0.00 -0.39 0.00 0.00 64.86 62.34 1a6s h ILE 26 Cb 0.00 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.89 1a6s h ILE 26 CO 0.00 0.66 0.00 0.61 -0.69 0.00 0.00 178.15 178.73 1a6s n GLY 27 N 0.74 -2.93 0.34 5.37 0.00 -0.43 -2.46 105.19 105.82 1a6s n GLY 27 Ca -0.07 0.12 0.20 0.00 0.00 0.00 0.00 46.02 46.27 1a6s n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6s h ALA 28 N -1.95 1.85 -0.97 4.61 0.00 0.38 1.75 119.26 124.93 1a6s h ALA 28 Ca 0.00 0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1a6s h ALA 28 Cb 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 17.70 1a6s h ALA 28 CO 0.00 -0.38 -0.39 1.98 0.00 0.00 0.00 179.25 180.46 1a6s h MET 29 N 0.49 -0.01 0.00 0.00 -1.53 -1.16 4.11 114.93 116.82 1a6s h MET 29 Ca 0.68 0.00 -0.43 0.00 -3.44 0.00 0.00 59.70 56.51 1a6s h MET 29 Cb 1.39 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 32.38 1a6s h MET 29 CO -0.52 -0.01 -2.39 1.28 0.14 0.00 0.00 176.91 175.41 1a6s n LEU 30 N -5.47 1.95 0.15 3.39 4.32 0.04 -3.56 117.00 117.82 1a6s n LEU 30 Ca 0.10 0.35 0.11 0.00 -0.02 0.00 0.00 56.01 56.54 1a6s n LEU 30 Cb 0.40 -0.83 0.62 0.00 -1.62 0.00 0.00 43.42 41.99 1a6s n LEU 30 CO -0.13 0.52 1.11 0.28 -1.22 0.00 0.00 177.39 177.96 1a6s h SER 31 N -1.00 0.07 0.03 -1.43 0.02 0.26 6.35 113.55 117.86 1a6s h SER 31 Ca -0.65 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1a6s h SER 31 Cb 1.57 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1a6s h SER 31 CO -0.40 0.05 -0.02 0.25 -1.14 0.00 0.00 176.83 175.58 1a6s h LEU 32 N 0.09 -0.04 -0.09 5.07 7.12 0.80 -0.55 115.31 127.70 1a6s h LEU 32 Ca 0.09 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.06 1a6s h LEU 32 Cb 0.27 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1a6s h LEU 32 CO -0.01 0.00 -0.11 -0.07 -0.13 0.00 0.00 178.44 178.12 1a6s h LEU 33 N -0.11 0.26 0.00 2.25 -0.00 -1.37 0.14 115.31 116.48 1a6s h LEU 33 Ca -0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 1a6s h LEU 33 Cb 0.04 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 1a6s h LEU 33 CO 0.01 0.72 0.00 0.00 -0.00 0.00 0.00 178.44 179.16 1a6s n GLN 34 N -4.64 0.76 -1.62 1.13 3.00 2.05 0.04 117.38 118.10 1a6s n GLN 34 Ca -0.07 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.94 1a6s n GLN 34 Cb 0.34 -1.21 0.01 0.00 0.00 0.00 0.00 30.24 29.39 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1a6s n LYS 35 N -0.71 0.23 0.00 -1.09 3.00 -0.21 -4.58 118.16 114.80 1a6s n LYS 35 Ca 0.08 -2.04 0.00 0.00 -0.00 0.00 0.00 58.31 56.34 1a6s n LYS 35 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 35.03 34.94 1a6s n LYS 35 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1a6s n GLU 36 N 0.27 0.00 0.00 1.64 -0.00 0.45 -4.72 120.64 118.28 1a6s n GLU 36 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 1a6s n GLU 36 Cb 1.05 -0.26 0.00 0.00 -0.00 0.00 0.00 31.44 32.22 1a6s n GLU 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a6s n GLY 37 N 0.00 1.99 2.53 -1.84 0.00 -1.18 -4.20 105.19 102.50 1a6s n GLY 37 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1a6s n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a6s n LEU 38 N 0.00 2.88 -0.98 0.99 4.32 0.11 -4.75 117.00 119.56 1a6s n LEU 38 Ca 0.00 -3.91 0.08 0.00 -0.02 0.00 0.00 56.01 52.16 1a6s n LEU 38 Cb 0.00 0.12 0.24 0.00 -1.62 0.00 0.00 43.42 42.16 1a6s n LEU 38 CO 0.00 1.58 0.70 -0.11 -1.22 0.00 0.00 177.39 178.35 1a6s n LEU 39 N -0.51 3.66 -0.95 2.23 0.00 -1.25 -3.99 117.00 116.18 1a6s n LEU 39 Ca 0.22 -2.32 0.09 0.00 0.00 0.00 0.00 56.01 54.00 1a6s n LEU 39 Cb 0.83 -0.40 0.21 0.00 0.00 0.00 0.00 43.42 44.06 1a6s n LEU 39 CO 0.23 0.77 0.67 0.80 0.00 0.00 0.00 177.39 179.86 1a6s n MET 40 N 0.56 2.55 0.00 1.96 1.56 -1.26 -4.94 117.12 117.55 1a6s n MET 40 Ca 0.18 -2.22 0.00 0.00 -0.27 0.00 0.00 57.70 55.40 1a6s n MET 40 Cb 0.65 -1.41 0.00 0.00 2.15 0.00 0.00 33.22 34.61 1a6s n MET 40 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1a6s n SER 41 N 1.08 0.00 0.00 6.12 3.41 -1.26 -4.99 113.62 117.97 1a6s n SER 41 Ca 0.17 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.89 1a6s n SER 41 Cb 0.51 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 65.02 1a6s n SER 41 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1a6s n PRO 42 N 0.00 0.27 0.08 4.33 -0.04 -1.26 -2.73 135.00 135.64 1a6s n PRO 42 Ca 0.00 0.08 0.09 0.00 -0.04 0.00 0.00 63.50 63.63 1a6s n PRO 42 Cb 0.00 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.37 1a6s n PRO 42 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a6s n SER 43 N -1.32 0.39 -0.40 3.54 2.88 -1.26 -3.26 113.62 114.19 1a6s n SER 43 Ca 0.10 0.61 0.33 0.00 -1.33 0.00 0.00 58.87 58.58 1a6s n SER 43 Cb 0.20 -0.69 0.55 0.00 -0.75 0.00 0.00 64.21 63.52 1a6s n SER 43 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1a6s n ASP 44 N -1.95 0.14 -0.25 -3.46 4.64 -1.11 0.44 116.55 115.00 1a6s n ASP 44 Ca 0.02 1.04 0.22 0.00 -1.38 0.00 0.00 54.79 54.69 1a6s n ASP 44 Cb 0.18 -0.51 0.56 0.00 -1.04 0.00 0.00 41.12 40.30 1a6s n ASP 44 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 1a6s h LEU 45 N 0.00 0.33 -0.72 -2.67 6.46 -1.76 0.90 115.31 117.85 1a6s h LEU 45 Ca 0.69 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.50 1a6s h LEU 45 Cb 2.33 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 42.24 1a6s h LEU 45 CO -0.31 0.11 0.10 -1.22 -0.62 0.00 0.00 178.44 176.50 1a6s n TYR 46 N -4.48 0.37 -3.93 1.25 4.01 1.53 -4.50 117.16 111.41 1a6s n TYR 46 Ca 0.21 0.19 -0.34 0.00 -0.16 0.00 0.00 57.90 57.80 1a6s n TYR 46 Cb 0.80 -0.73 -0.05 0.00 -0.31 0.00 0.00 39.34 39.05 1a6s n TYR 46 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a6s s SER 47 N -3.41 6.29 -0.44 7.72 0.15 0.31 -5.05 113.70 119.27 1a6s s SER 47 Ca -0.01 0.35 -0.29 0.00 0.70 0.00 0.00 55.95 56.70 1a6s s SER 47 Cb 0.03 -1.97 0.01 0.00 -1.71 0.00 0.00 66.02 62.38 1a6s s SER 47 CO 0.10 0.29 1.43 -2.16 1.20 0.00 0.00 173.24 174.10 1a6s s PRO 48 N -1.74 3.50 0.00 5.44 0.04 -1.26 -3.62 135.00 137.36 1a6s s PRO 48 Ca 0.24 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1a6s s PRO 48 Cb -0.12 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1a6s s PRO 48 CO 0.15 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1a6s n GLY 49 N 5.14 0.85 0.65 0.56 0.00 -1.26 -5.00 105.19 106.14 1a6s n GLY 49 Ca 0.16 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.70 1a6s n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a6s n SER 50 N -0.38 2.03 0.00 1.61 7.64 -1.24 -3.55 113.62 119.73 1a6s n SER 50 Ca 0.00 -1.69 0.11 0.00 1.01 0.00 0.00 58.87 58.30 1a6s n SER 50 Cb 0.13 -0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.19 1a6s n SER 50 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1a6s n TRP 51 N 0.58 0.09 0.15 1.43 7.02 -1.26 -4.00 117.44 121.46 1a6s n TRP 51 Ca 0.17 0.03 0.03 0.00 -1.02 0.00 0.00 57.50 56.71 1a6s n TRP 51 Cb 0.43 -0.41 0.10 0.00 -2.42 0.00 0.00 31.31 29.02 1a6s n TRP 51 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 1a6s h ASP 52 N 0.00 0.00 0.02 -0.99 -0.00 -1.97 -2.81 116.42 110.67 1a6s h ASP 52 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.03 56.79 1a6s h ASP 52 Cb 0.85 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 40.19 1a6s h ASP 52 CO 0.00 0.48 -0.93 1.55 -0.00 0.00 0.00 179.24 180.34 1a6s h PRO 53 N 0.00 0.68 0.00 0.28 0.13 -1.71 -3.05 132.00 128.32 1a6s h PRO 53 Ca -0.00 -0.66 -0.02 0.00 -0.87 0.00 0.00 66.00 64.45 1a6s h PRO 53 Cb 1.28 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.57 1a6s h PRO 53 CO 0.06 1.26 -0.08 0.97 -0.23 0.00 0.00 178.00 179.98 1a6s h ILE 54 N 0.41 0.19 0.90 -3.56 2.10 -1.69 -0.69 117.51 115.18 1a6s h ILE 54 Ca -0.09 -0.81 -0.04 0.00 1.08 0.00 0.00 64.86 65.00 1a6s h ILE 54 Cb 1.57 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 38.99 1a6s h ILE 54 CO 0.18 0.08 -0.47 0.74 -1.08 0.00 0.00 178.15 177.60 1a6s h THR 55 N 0.00 0.04 0.00 2.19 2.02 -1.38 -2.67 112.91 113.10 1a6s h THR 55 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1a6s h THR 55 Cb 0.68 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1a6s h THR 55 CO 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.89 1a6s n ALA 56 N -2.68 2.29 0.04 6.16 0.00 -1.22 -2.97 120.51 122.14 1a6s n ALA 56 Ca -0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.23 1a6s n ALA 56 Cb 0.51 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1a6s n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6s h ALA 57 N 2.50 -0.78 -0.44 0.00 0.00 -0.79 1.45 119.26 121.21 1a6s h ALA 57 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1a6s h ALA 57 Cb 0.75 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1a6s h ALA 57 CO 0.00 -0.78 0.11 -0.07 0.00 0.00 0.00 179.25 178.50 1a6s h LEU 58 N -0.15 0.67 -1.49 0.00 4.07 -1.63 -2.15 115.31 114.63 1a6s h LEU 58 Ca -0.01 -0.23 0.16 0.00 0.08 0.00 0.00 57.88 57.88 1a6s h LEU 58 Cb 0.14 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 41.64 1a6s h LEU 58 CO -0.02 0.73 0.54 -1.28 -1.08 0.00 0.00 178.44 177.33 1a6s h SER 59 N 0.58 0.47 0.37 -0.43 0.87 -1.42 5.40 113.55 119.38 1a6s h SER 59 Ca 0.14 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.59 1a6s h SER 59 Cb 0.32 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1a6s h SER 59 CO 0.00 0.23 -0.59 -0.61 -0.53 0.00 0.00 176.83 175.34 1a6s h GLN 60 N 0.49 0.22 -1.01 2.24 5.75 0.26 -3.37 115.11 119.70 1a6s h GLN 60 Ca 0.41 -0.15 -0.37 0.00 -0.15 0.00 0.00 58.65 58.39 1a6s h GLN 60 Cb 0.86 0.02 -0.27 0.00 1.07 0.00 0.00 27.48 29.16 1a6s h GLN 60 CO -0.15 0.75 -0.82 0.54 -2.65 0.00 0.00 178.83 176.50 1a6s n ARG 61 N -3.88 0.92 0.00 1.69 5.12 0.11 -4.92 116.66 115.70 1a6s n ARG 61 Ca -0.02 -2.61 0.08 0.00 -1.93 0.00 0.00 57.85 53.37 1a6s n ARG 61 Cb 0.60 -1.36 0.43 0.00 -1.16 0.00 0.00 32.46 30.97 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1a6s n ALA 62 N 0.69 1.93 0.23 7.54 0.00 1.72 -1.72 120.51 130.90 1a6s n ALA 62 Ca 0.15 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.60 1a6s n ALA 62 Cb 0.65 -1.28 0.24 0.00 0.00 0.00 0.00 19.45 19.07 1a6s n ALA 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a6s n MET 63 N -1.28 2.36 -0.00 0.00 2.81 -1.26 -3.68 117.12 116.07 1a6s n MET 63 Ca 0.08 -1.98 0.09 0.00 -1.81 0.00 0.00 57.70 54.08 1a6s n MET 63 Cb 0.13 -1.46 -0.11 0.00 -0.71 0.00 0.00 33.22 31.07 1a6s n MET 63 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1a6s n ILE 64 N 1.05 0.00 -2.85 2.02 -0.00 -0.70 -4.98 119.36 113.90 1a6s n ILE 64 Ca 0.18 -0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.83 1a6s n ILE 64 Cb 0.49 0.91 0.00 0.00 -0.00 0.00 0.00 39.64 41.04 1a6s n ILE 64 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1a6s n LEU 65 N -1.51 0.00 0.00 1.39 4.77 -1.24 -5.07 117.00 115.35 1a6s n LEU 65 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1a6s n LEU 65 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1a6s n LEU 65 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1a6s n GLY 66 N 5.00 0.47 0.68 -0.72 0.00 -1.26 -5.01 105.19 104.35 1a6s n GLY 66 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1a6s n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a6s n LYS 67 N 0.00 1.60 0.00 1.61 4.81 -1.26 -4.76 118.16 120.16 1a6s n LYS 67 Ca 0.00 -3.29 0.00 0.00 -0.87 0.00 0.00 58.31 54.15 1a6s n LYS 67 Cb 0.00 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1a6s n LYS 67 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1a6s n SER 68 N -1.04 0.00 0.00 3.14 2.88 -1.26 -4.96 113.62 112.37 1a6s n SER 68 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1a6s n SER 68 Cb 0.72 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1a6s n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6s n GLY 69 N 0.00 -1.29 0.31 0.46 0.00 -1.26 -5.04 105.19 98.38 1a6s n GLY 69 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1a6s n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a6s n GLU 70 N 0.00 0.00 -0.80 1.61 4.07 -1.26 -4.65 120.64 119.61 1a6s n GLU 70 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 1a6s n GLU 70 Cb 0.00 -0.15 0.02 0.00 -0.06 0.00 0.00 31.44 31.25 1a6s n GLU 70 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1a6s n LEU 71 N -2.01 0.53 -0.22 4.31 7.94 -1.26 -4.39 117.00 121.90 1a6s n LEU 71 Ca 0.00 -1.52 0.02 0.00 -1.11 0.00 0.00 56.01 53.40 1a6s n LEU 71 Cb 0.00 -0.04 0.12 0.00 0.53 0.00 0.00 43.42 44.03 1a6s n LEU 71 CO 0.00 0.39 0.84 0.50 -1.11 0.00 0.00 177.39 178.01 1a6s h LYS 72 N 0.35 0.13 -0.62 1.96 1.63 -1.96 0.21 116.57 118.27 1a6s h LYS 72 Ca -0.07 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1a6s h LYS 72 Cb 1.53 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 33.09 1a6s h LYS 72 CO 0.03 0.09 0.37 1.15 -3.45 0.00 0.00 179.45 177.64 1a6s h THR 73 N 0.13 1.06 -0.68 1.00 2.02 -1.93 0.59 112.91 115.11 1a6s h THR 73 Ca 0.34 -0.25 0.18 0.00 0.77 0.00 0.00 66.41 67.45 1a6s h THR 73 Cb 0.57 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1a6s h THR 73 CO -0.54 0.13 0.48 -0.25 0.37 0.00 0.00 175.52 175.71 1a6s h TRP 74 N 0.73 0.14 0.04 3.16 7.01 -1.00 0.48 115.95 126.51 1a6s h TRP 74 Ca 0.25 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 1a6s h TRP 74 Cb 0.04 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 1a6s h TRP 74 CO -0.06 0.05 -0.02 0.78 -2.79 0.00 0.00 178.44 176.40 1a6s h GLY 75 N 0.11 -0.05 1.00 2.65 0.00 0.20 2.42 103.07 109.39 1a6s h GLY 75 Ca 0.33 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1a6s h GLY 75 CO -0.04 -0.02 0.33 1.41 0.00 0.00 0.00 176.54 178.22 1a6s h LEU 76 N -0.07 0.61 0.57 3.11 4.07 -0.84 6.08 115.31 128.84 1a6s h LEU 76 Ca -0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 1a6s h LEU 76 Cb 0.05 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 41.65 1a6s h LEU 76 CO 0.01 0.47 -0.27 -0.37 -1.08 0.00 0.00 178.44 177.20 1a6s h VAL 77 N 0.70 0.06 0.56 1.22 -1.51 -0.98 -2.74 116.25 113.55 1a6s h VAL 77 Ca 0.19 -0.44 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 1a6s h VAL 77 Cb -0.04 0.09 0.01 0.00 -2.13 0.00 0.00 31.29 29.22 1a6s h VAL 77 CO -0.04 0.01 -0.27 0.25 -1.23 0.00 0.00 177.57 176.30 1a6s h LEU 78 N -1.18 -0.63 -1.69 4.19 7.12 0.42 -2.84 115.31 120.69 1a6s h LEU 78 Ca -0.08 -0.04 0.50 0.00 0.13 0.00 0.00 57.88 58.40 1a6s h LEU 78 Cb 0.60 0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 40.82 1a6s h LEU 78 CO 0.13 -0.26 1.20 0.61 -0.13 0.00 0.00 178.44 179.99 1a6s n GLY 79 N -0.47 -0.87 0.09 3.75 0.00 1.97 0.28 105.19 109.93 1a6s n GLY 79 Ca -0.11 0.63 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 1a6s n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6s h ALA 80 N 0.98 0.07 -0.73 4.61 0.00 -1.25 -1.35 119.26 121.59 1a6s h ALA 80 Ca 0.84 -0.32 0.12 0.00 0.00 0.00 0.00 54.91 55.55 1a6s h ALA 80 Cb 3.26 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 20.96 1a6s h ALA 80 CO -0.08 -0.08 0.31 1.25 0.00 0.00 0.00 179.25 180.66 1a6s h LEU 81 N -0.38 0.33 -1.36 0.00 5.85 0.41 0.79 115.31 120.95 1a6s h LEU 81 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1a6s h LEU 81 Cb 0.67 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1a6s h LEU 81 CO 0.02 0.15 -0.17 0.11 -0.34 0.00 0.00 178.44 178.22 1a6s h LYS 82 N 0.49 0.00 -0.15 1.25 6.56 -1.27 -2.38 116.57 121.07 1a6s h LYS 82 Ca 0.39 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.82 1a6s h LYS 82 Cb 0.54 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.19 1a6s h LYS 82 CO -0.36 0.17 -0.58 0.00 -2.06 0.00 0.00 179.45 176.61 1a6s h ALA 83 N 1.83 0.70 0.01 3.86 0.00 0.17 -1.02 119.26 124.80 1a6s h ALA 83 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1a6s h ALA 83 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1a6s h ALA 83 CO 0.02 0.70 -0.00 0.00 0.00 0.00 0.00 179.25 179.97 1a6s h ALA 84 N 0.99 -0.01 0.00 0.00 0.00 -0.42 0.30 119.26 120.12 1a6s h ALA 84 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1a6s h ALA 84 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1a6s h ALA 84 CO 0.11 -0.42 -0.14 0.00 0.00 0.00 0.00 179.25 178.80 1a6s h ARG 85 N -0.18 0.00 0.08 0.00 3.08 -1.48 -2.19 114.38 113.70 1a6s h ARG 85 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 1a6s h ARG 85 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1a6s h ARG 85 CO 0.00 0.14 -1.13 0.93 -1.07 0.00 0.00 179.97 178.84 1a6s h GLU 86 N 0.00 0.29 0.00 0.04 5.08 -0.56 -3.51 114.58 115.92 1a6s h GLU 86 Ca -0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1a6s h GLU 86 Cb 0.41 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1a6s h GLU 86 CO 0.02 1.16 0.00 -1.91 -1.00 0.00 0.00 179.01 177.28