#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ n GLN 12 N 0.00 0.27 -3.58 2.98 1.13 -1.26 -5.09 117.38 111.83 1occ n GLN 12 Ca 0.00 0.11 -0.10 0.00 -1.94 0.00 0.00 57.00 55.07 1occ n GLN 12 Cb 0.00 -0.98 -0.02 0.00 0.11 0.00 0.00 30.24 29.35 1occ n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1occ s THR 13 N -1.97 0.00 -0.03 5.09 -1.32 -1.26 -5.11 115.64 111.03 1occ s THR 13 Ca -0.15 -0.36 -0.36 0.00 -1.21 0.00 0.00 61.69 59.61 1occ s THR 13 Cb 0.02 -1.35 -0.15 0.00 -1.51 0.00 0.00 72.50 69.51 1occ s THR 13 CO 0.22 -0.01 1.63 0.00 -2.21 0.00 0.00 174.62 174.25 1occ n ALA 14 N -0.40 0.23 -1.70 11.08 0.00 -1.26 -4.95 120.51 123.50 1occ n ALA 14 Ca -0.12 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 1occ n ALA 14 Cb 0.63 -2.28 0.16 0.00 0.00 0.00 0.00 19.45 17.95 1occ n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1occ s PRO 15 N 2.21 0.83 0.28 0.00 0.04 -1.26 -5.00 135.00 132.10 1occ s PRO 15 Ca 0.89 -0.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 1occ s PRO 15 Cb -0.85 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 31.75 1occ s PRO 15 CO 0.50 -2.34 1.49 0.12 0.04 0.00 0.00 177.00 176.81 1occ s PHE 16 N -3.53 2.89 -0.26 0.56 5.36 -1.26 -4.99 117.98 116.75 1occ s PHE 16 Ca 0.68 0.98 0.01 0.00 -0.96 0.00 0.00 56.93 57.64 1occ s PHE 16 Cb -0.09 -3.92 0.05 0.00 -0.34 0.00 0.00 43.02 38.72 1occ s PHE 16 CO 0.53 -2.98 -0.09 0.34 -1.46 0.00 0.00 175.22 171.56 1occ s ASP 17 N 0.31 4.39 0.47 6.13 -1.08 -1.26 -5.00 116.67 120.63 1occ s ASP 17 Ca 0.59 -1.23 0.23 0.00 -0.52 0.00 0.00 52.55 51.63 1occ s ASP 17 Cb -0.44 -1.59 1.25 0.00 -1.46 0.00 0.00 42.92 40.67 1occ s ASP 17 CO 0.47 -0.18 1.88 0.77 0.52 0.00 0.00 175.17 178.63 1occ h SER 18 N 7.87 0.23 0.09 -0.34 4.64 -2.00 0.51 113.55 124.55 1occ h SER 18 Ca -0.24 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1occ h SER 18 Cb 1.06 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1occ h SER 18 CO 0.51 0.09 0.00 -2.11 -0.87 0.00 0.00 176.83 174.45 1occ n ARG 19 N -4.42 0.84 -3.16 4.77 1.85 -1.26 -3.68 116.66 111.60 1occ n ARG 19 Ca 0.18 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.82 1occ n ARG 19 Cb 0.78 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.64 1occ n ARG 19 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1occ n PHE 20 N -1.05 -0.43 1.57 2.89 3.72 0.18 -4.98 117.46 119.37 1occ n PHE 20 Ca 0.21 -3.51 0.13 0.00 -0.05 0.00 0.00 57.45 54.23 1occ n PHE 20 Cb 0.12 -0.23 0.57 0.00 -0.94 0.00 0.00 39.48 39.00 1occ n PHE 20 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1occ n PRO 21 N 1.11 1.49 -4.33 -1.08 -0.04 -1.21 -4.52 135.00 126.43 1occ n PRO 21 Ca 0.21 -0.72 -0.26 0.00 -0.04 0.00 0.00 63.50 62.68 1occ n PRO 21 Cb 0.57 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 1occ n PRO 21 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1occ s ASN 22 N -1.86 4.22 0.58 3.54 0.01 -1.26 -5.00 114.94 115.18 1occ s ASN 22 Ca 0.38 -1.22 0.34 0.00 -0.71 0.00 0.00 52.86 51.65 1occ s ASN 22 Cb 0.20 -0.37 1.32 0.00 0.41 0.00 0.00 41.25 42.80 1occ s ASN 22 CO 0.31 -0.55 1.56 -0.61 -1.51 0.00 0.00 177.10 176.31 1occ h GLN 23 N 1.52 0.00 -5.13 -0.60 4.15 -2.05 -3.35 115.11 109.65 1occ h GLN 23 Ca -0.43 0.00 -0.65 0.00 0.77 0.00 0.00 58.65 58.34 1occ h GLN 23 Cb 1.25 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.78 1occ h GLN 23 CO 0.74 0.00 -0.14 1.21 -1.93 0.00 0.00 178.83 178.71 1occ s ASN 24 N -4.17 6.27 0.00 -0.69 3.04 -1.26 -4.90 114.94 113.23 1occ s ASN 24 Ca -0.04 -0.11 0.17 0.00 0.04 0.00 0.00 52.86 52.92 1occ s ASN 24 Cb 0.19 -2.24 0.18 0.00 -1.54 0.00 0.00 41.25 37.84 1occ s ASN 24 CO 0.63 -0.43 1.10 0.00 -3.04 0.00 0.00 177.10 175.36 1occ n GLN 25 N 5.61 1.62 -0.32 0.43 1.13 -1.26 -4.68 117.38 119.91 1occ n GLN 25 Ca -0.06 -1.65 0.03 0.00 -1.94 0.00 0.00 57.00 53.37 1occ n GLN 25 Cb 0.49 -1.35 0.10 0.00 0.11 0.00 0.00 30.24 29.59 1occ n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1occ h THR 26 N 3.42 0.10 -0.28 5.09 2.02 -1.95 0.57 112.91 121.87 1occ h THR 26 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1occ h THR 26 Cb 0.75 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1occ h THR 26 CO 0.00 0.00 -0.11 0.03 0.37 0.00 0.00 175.52 175.81 1occ h ARG 27 N -0.01 0.47 -0.12 6.66 2.47 -1.98 -1.35 114.38 120.51 1occ h ARG 27 Ca 0.41 -0.13 0.03 0.00 -1.26 0.00 0.00 59.98 59.03 1occ h ARG 27 Cb 0.64 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 1occ h ARG 27 CO -0.91 0.59 -0.05 -0.97 0.56 0.00 0.00 179.97 179.18 1occ h ASN 28 N 0.44 -0.18 0.37 7.04 -0.00 -0.20 0.82 115.58 123.88 1occ h ASN 28 Ca 0.08 0.05 -0.02 0.00 -0.00 0.00 0.00 56.30 56.41 1occ h ASN 28 Cb 0.46 0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.89 1occ h ASN 28 CO 0.03 -0.07 -0.18 0.00 -0.00 0.00 0.00 177.43 177.21 1occ h TRP 30 N -0.52 -0.98 -0.14 0.00 2.91 -0.45 -2.27 115.95 114.52 1occ h TRP 30 Ca -0.05 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.05 1occ h TRP 30 Cb 0.39 0.42 -0.06 0.00 -0.51 0.00 0.00 29.16 29.41 1occ h TRP 30 CO -0.05 -0.45 -0.31 0.37 -1.03 0.00 0.00 178.44 176.97 1occ h GLN 31 N -0.53 -0.37 -0.35 2.65 5.75 0.66 -1.84 115.11 121.07 1occ h GLN 31 Ca 0.05 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1occ h GLN 31 Cb 0.60 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 1occ h GLN 31 CO -0.26 -0.25 0.14 -0.91 -2.65 0.00 0.00 178.83 174.91 1occ h ASN 32 N -0.38 0.45 -0.68 -0.69 4.21 -1.43 0.15 115.58 117.20 1occ h ASN 32 Ca 0.10 -0.04 -0.04 0.00 1.21 0.00 0.00 56.30 57.53 1occ h ASN 32 Cb 0.54 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.59 1occ h ASN 32 CO -0.35 0.41 0.28 0.22 -1.29 0.00 0.00 177.43 176.69 1occ h TYR 33 N 0.50 1.04 0.67 1.19 3.20 -0.75 -0.56 116.97 122.27 1occ h TYR 33 Ca 0.12 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1occ h TYR 33 Cb 0.10 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.07 1occ h TYR 33 CO 0.00 0.81 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.94 1occ h LEU 34 N 0.97 -0.77 -0.95 2.82 3.38 -0.73 -2.92 115.31 117.12 1occ h LEU 34 Ca 0.23 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.38 1occ h LEU 34 Cb 0.20 0.20 -0.16 0.00 0.09 0.00 0.00 40.66 40.99 1occ h LEU 34 CO -0.02 -0.43 -0.35 0.44 0.09 0.00 0.00 178.44 178.17 1occ h ASP 35 N -1.14 -1.30 0.48 -0.43 3.32 -0.57 0.19 116.42 116.97 1occ h ASP 35 Ca -0.09 0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1occ h ASP 35 Cb 0.69 0.71 -0.02 0.00 0.22 0.00 0.00 39.33 40.93 1occ h ASP 35 CO 0.15 -0.30 -0.45 0.15 -1.72 0.00 0.00 179.24 177.07 1occ h PHE 36 N -0.02 -1.25 -0.14 4.55 3.57 -1.16 0.40 116.94 122.90 1occ h PHE 36 Ca 0.36 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.91 1occ h PHE 36 Cb 0.62 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1occ h PHE 36 CO -0.83 -0.61 0.14 0.45 -2.23 0.00 0.00 178.31 175.23 1occ h HIS 37 N -0.92 0.00 -0.07 0.41 3.86 -1.07 0.26 115.15 117.63 1occ h HIS 37 Ca -0.06 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.95 1occ h HIS 37 Cb 0.79 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.27 1occ h HIS 37 CO -0.22 0.00 -0.75 0.00 0.86 0.00 0.00 177.93 177.82 1occ h ARG 38 N 0.00 0.62 -0.25 2.45 3.08 -0.06 -2.48 114.38 117.74 1occ h ARG 38 Ca 0.07 -0.58 -0.05 0.00 0.07 0.00 0.00 59.98 59.48 1occ h ARG 38 Cb 0.34 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1occ h ARG 38 CO -0.00 1.20 -0.03 0.00 -1.07 0.00 0.00 179.97 180.07 1occ h GLU 40 N 0.23 -0.57 -0.90 0.00 4.81 -0.57 -0.75 114.58 116.83 1occ h GLU 40 Ca 0.07 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.52 1occ h GLU 40 Cb 0.47 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.88 1occ h GLU 40 CO 0.02 -0.38 0.46 -0.22 -0.73 0.00 0.00 179.01 178.16 1occ h LYS 41 N -0.59 0.56 0.50 1.92 3.64 -1.39 -1.39 116.57 119.83 1occ h LYS 41 Ca 0.04 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1occ h LYS 41 Cb 0.66 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1occ h LYS 41 CO -0.31 0.37 -0.24 0.00 -2.27 0.00 0.00 179.45 177.00 1occ h ALA 42 N 1.63 -0.68 -0.26 5.00 0.00 -1.03 -0.72 119.26 123.20 1occ h ALA 42 Ca 0.52 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.32 1occ h ALA 42 Cb 0.85 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1occ h ALA 42 CO -0.42 -0.74 0.37 0.52 0.00 0.00 0.00 179.25 178.97 1occ h MET 43 N -0.96 0.00 0.15 0.00 2.86 -0.61 -1.19 114.93 115.19 1occ h MET 43 Ca -0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1occ h MET 43 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1occ h MET 43 CO 0.11 0.00 -0.07 1.15 1.06 0.00 0.00 176.91 179.16 1occ h THR 44 N 0.00 0.00 -0.07 2.22 2.02 -1.08 -2.41 112.91 113.59 1occ h THR 44 Ca 0.12 -0.55 -0.69 0.00 0.77 0.00 0.00 66.41 66.06 1occ h THR 44 Cb 0.85 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1occ h THR 44 CO -0.00 0.00 3.47 0.00 0.37 0.00 0.00 175.52 179.36 1occ n ALA 45 N -2.53 6.66 0.00 6.16 0.00 -0.29 -1.85 120.51 128.66 1occ n ALA 45 Ca -0.02 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.70 1occ n ALA 45 Cb 0.08 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.11 1occ n ALA 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1occ n LYS 46 N 4.58 0.00 0.00 0.00 4.81 -1.11 -4.85 118.16 121.59 1occ n LYS 46 Ca 0.66 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 1occ n LYS 46 Cb 0.30 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.35 1occ n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1occ n GLY 47 N 0.00 1.16 3.71 3.14 0.00 -0.77 -4.68 105.19 107.74 1occ n GLY 47 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 1occ n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1occ n GLY 48 N 0.00 -0.50 2.60 -0.02 0.00 -1.26 0.33 105.19 106.35 1occ n GLY 48 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1occ n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1occ n ASP 49 N -2.66 -4.64 -4.35 1.61 8.00 -1.26 -3.39 116.55 109.86 1occ n ASP 49 Ca 0.02 -0.20 -0.39 0.00 0.71 0.00 0.00 54.79 54.93 1occ n ASP 49 Cb 0.54 -3.50 -0.08 0.00 -0.02 0.00 0.00 41.12 38.06 1occ n ASP 49 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1occ n VAL 50 N -4.10 -0.16 -1.14 2.53 0.24 0.15 -4.88 118.33 110.97 1occ n VAL 50 Ca -0.07 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.34 61.79 1occ n VAL 50 Cb 0.58 -0.55 0.06 0.00 -1.47 0.00 0.00 33.84 32.46 1occ n VAL 50 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1occ n SER 51 N -2.34 -2.48 -3.81 -1.34 3.41 -1.22 -4.99 113.62 100.85 1occ n SER 51 Ca 0.04 0.49 -0.17 0.00 -0.26 0.00 0.00 58.87 58.97 1occ n SER 51 Cb 0.46 -1.09 -0.16 0.00 -0.26 0.00 0.00 64.21 63.16 1occ n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1occ s VAL 52 N -2.02 0.18 -1.49 -3.33 -7.23 -1.26 -4.77 120.40 100.48 1occ s VAL 52 Ca 0.59 0.09 -0.12 0.00 -1.81 0.00 0.00 61.98 60.73 1occ s VAL 52 Cb -0.32 -0.28 0.01 0.00 0.56 0.00 0.00 36.38 36.36 1occ s VAL 52 CO 0.65 0.15 2.45 0.00 -0.31 0.00 0.00 175.10 178.04 1occ h GLU 54 N 5.57 0.95 -0.84 0.00 4.57 -1.98 -3.31 114.58 119.55 1occ h GLU 54 Ca 0.66 -0.44 0.15 0.00 -1.18 0.00 0.00 59.36 58.55 1occ h GLU 54 Cb 0.50 -0.02 -0.15 0.00 -0.16 0.00 0.00 28.75 28.93 1occ h GLU 54 CO 1.81 1.10 -0.32 2.35 -1.18 0.00 0.00 179.01 182.77 1occ h TRP 55 N 0.79 -0.86 -0.83 0.92 2.91 -2.00 0.41 115.95 117.29 1occ h TRP 55 Ca 0.09 0.09 0.05 0.00 1.13 0.00 0.00 58.89 60.25 1occ h TRP 55 Cb 0.84 0.50 -0.05 0.00 -0.51 0.00 0.00 29.16 29.94 1occ h TRP 55 CO 0.06 -0.39 0.54 1.88 -1.03 0.00 0.00 178.44 179.50 1occ h TYR 56 N -0.05 0.96 -0.05 2.65 0.05 -1.91 -1.85 116.97 116.77 1occ h TYR 56 Ca 0.33 0.02 -0.16 0.00 0.05 0.00 0.00 58.73 58.97 1occ h TYR 56 Cb 0.60 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1occ h TYR 56 CO -0.75 0.53 -0.69 -0.09 -1.05 0.00 0.00 178.16 176.11 1occ h ARG 57 N 0.97 0.25 -0.06 4.88 2.43 -0.40 -1.14 114.38 121.31 1occ h ARG 57 Ca 0.34 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1occ h ARG 57 Cb 0.13 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1occ h ARG 57 CO -0.11 0.85 0.03 0.00 -1.51 0.00 0.00 179.97 179.22 1occ h ARG 58 N 0.17 0.09 0.99 0.20 2.47 -0.33 -2.00 114.38 115.98 1occ h ARG 58 Ca -0.02 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 1occ h ARG 58 Cb 1.24 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.55 1occ h ARG 58 CO 0.11 0.21 -0.48 0.28 0.56 0.00 0.00 179.97 180.65 1occ h VAL 59 N -0.04 0.02 -0.41 2.04 2.07 -1.30 -2.35 116.25 116.28 1occ h VAL 59 Ca 0.02 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.65 1occ h VAL 59 Cb 0.15 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1occ h VAL 59 CO -0.00 0.00 0.33 0.10 0.02 0.00 0.00 177.57 178.01 1occ h TYR 60 N -1.34 0.00 -0.08 1.57 -0.00 -1.23 -0.98 116.97 114.92 1occ h TYR 60 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.39 1occ h TYR 60 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.75 1occ h TYR 60 CO -0.00 0.00 -0.78 0.87 -0.00 0.00 0.00 178.16 178.25 1occ h LYS 61 N 0.00 0.51 0.44 0.10 1.79 -1.10 -1.38 116.57 116.92 1occ h LYS 61 Ca 0.19 -0.44 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 1occ h LYS 61 Cb 0.84 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1occ h LYS 61 CO -0.00 1.07 -0.21 0.77 -1.08 0.00 0.00 179.45 179.99 1occ h SER 62 N 0.34 -0.50 0.53 0.86 0.02 -0.66 -3.37 113.55 110.76 1occ h SER 62 Ca -0.05 -0.09 -0.27 0.00 -0.84 0.00 0.00 61.79 60.54 1occ h SER 62 Cb 1.38 0.13 0.01 0.00 0.14 0.00 0.00 62.40 64.06 1occ h SER 62 CO 0.14 -0.17 -1.19 -0.07 -1.14 0.00 0.00 176.83 174.41 1occ h LEU 63 N -0.87 0.49 -9.33 5.07 3.38 -1.51 -3.46 115.31 109.09 1occ h LEU 63 Ca -0.06 -0.49 -0.55 0.00 0.09 0.00 0.00 57.88 56.87 1occ h LEU 63 Cb 0.57 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1occ h LEU 63 CO 0.10 1.35 0.43 0.00 0.09 0.00 0.00 178.44 180.41 1occ s PRO 65 N 1.49 3.45 0.17 0.00 0.04 -1.26 -4.83 135.00 134.06 1occ s PRO 65 Ca 0.48 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.30 1occ s PRO 65 Cb -0.19 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.99 1occ s PRO 65 CO 0.22 -0.88 1.55 0.82 0.04 0.00 0.00 177.00 178.74 1occ h ILE 66 N 1.70 0.01 -1.10 0.56 5.03 -1.94 -1.78 117.51 119.99 1occ h ILE 66 Ca -0.50 0.00 0.30 0.00 -0.12 0.00 0.00 64.86 64.54 1occ h ILE 66 Cb 1.27 0.01 -0.07 0.00 -3.03 0.00 0.00 36.82 35.00 1occ h ILE 66 CO 0.59 0.00 0.75 0.28 -0.68 0.00 0.00 178.15 179.09 1occ h SER 67 N -0.06 0.23 0.12 1.72 0.02 -1.99 0.17 113.55 113.76 1occ h SER 67 Ca 0.19 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1occ h SER 67 Cb 0.48 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1occ h SER 67 CO -0.90 0.04 -0.06 -0.50 -1.14 0.00 0.00 176.83 174.27 1occ h TRP 68 N 0.20 -0.14 -0.33 3.45 4.06 -1.68 -2.05 115.95 119.45 1occ h TRP 68 Ca 0.58 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.60 1occ h TRP 68 Cb 1.86 0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 30.00 1occ h TRP 68 CO -0.00 0.35 -0.13 0.28 -3.56 0.00 0.00 178.44 175.37 1occ h VAL 69 N -0.80 0.56 0.09 1.49 2.07 -1.01 0.12 116.25 118.77 1occ h VAL 69 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1occ h VAL 69 Cb 0.56 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1occ h VAL 69 CO 0.03 0.00 -0.29 0.28 0.02 0.00 0.00 177.57 177.60 1occ h SER 70 N -0.07 -0.88 -0.99 0.57 0.02 -0.78 0.12 113.55 111.54 1occ h SER 70 Ca 0.17 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.36 1occ h SER 70 Cb 0.33 0.32 -0.09 0.00 0.14 0.00 0.00 62.40 63.10 1occ h SER 70 CO -0.38 -0.32 0.62 0.71 -1.14 0.00 0.00 176.83 176.32 1occ h THR 71 N -0.44 0.80 -0.32 -2.27 1.35 -0.96 -0.58 112.91 110.50 1occ h THR 71 Ca -0.01 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.54 1occ h THR 71 Cb 0.43 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.74 1occ h THR 71 CO -0.15 0.15 0.11 -0.50 -0.25 0.00 0.00 175.52 174.88 1occ h TRP 72 N 0.83 0.50 -0.28 4.73 6.55 -0.14 0.19 115.95 128.34 1occ h TRP 72 Ca 0.53 -0.05 0.05 0.00 0.95 0.00 0.00 58.89 60.37 1occ h TRP 72 Cb 0.73 -0.15 -0.05 0.00 -0.86 0.00 0.00 29.16 28.84 1occ h TRP 72 CO -0.00 0.50 -0.02 -0.44 -1.05 0.00 0.00 178.44 177.43 1occ h ASP 73 N 0.35 -0.16 -0.72 -3.49 3.32 0.66 0.14 116.42 116.53 1occ h ASP 73 Ca 0.10 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.29 1occ h ASP 73 Cb 0.23 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 1occ h ASP 73 CO -0.00 -0.05 0.41 0.44 -1.72 0.00 0.00 179.24 178.32 1occ h ASP 74 N 0.06 0.60 -0.65 6.45 5.19 -0.79 0.15 116.42 127.43 1occ h ASP 74 Ca 0.13 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1occ h ASP 74 Cb 0.19 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 1occ h ASP 74 CO -0.25 0.38 0.43 0.03 -3.12 0.00 0.00 179.24 176.71 1occ h ARG 75 N 0.74 0.84 -0.02 3.56 -0.00 0.07 -0.41 114.38 119.15 1occ h ARG 75 Ca 0.33 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.98 59.71 1occ h ARG 75 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 30.00 1occ h ARG 75 CO -0.20 0.56 -0.22 0.00 0.00 0.00 0.00 179.97 180.11 1occ h ARG 76 N 0.86 0.04 0.63 0.04 3.08 0.48 0.23 114.38 119.74 1occ h ARG 76 Ca 0.24 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 1occ h ARG 76 Cb -0.08 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 29.97 1occ h ARG 76 CO -0.06 0.26 -0.30 0.00 -1.07 0.00 0.00 179.97 178.80 1occ h ALA 77 N 1.74 -0.85 0.00 0.04 0.00 0.72 -3.17 119.26 117.73 1occ h ALA 77 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1occ h ALA 77 Cb 0.41 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1occ h ALA 77 CO 0.03 -0.79 0.00 -0.85 0.00 0.00 0.00 179.25 177.64 1occ n GLU 78 N -5.32 0.48 -1.83 0.00 0.28 -0.31 -4.88 120.64 109.06 1occ n GLU 78 Ca -0.11 0.04 -0.04 0.00 -0.16 0.00 0.00 57.16 56.90 1occ n GLU 78 Cb 0.33 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.70 1occ n GLU 78 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1occ n GLY 79 N 0.60 0.33 0.84 -1.84 0.00 0.51 -4.92 105.19 100.70 1occ n GLY 79 Ca 0.13 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.48 1occ n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1occ n THR 80 N -3.71 2.16 -2.63 2.61 -2.24 0.42 -4.96 114.28 105.93 1occ n THR 80 Ca -0.05 -1.82 -0.43 0.00 -2.27 0.00 0.00 64.05 59.48 1occ n THR 80 Cb 0.43 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 1occ n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1occ s PHE 81 N -2.67 3.14 -0.27 4.78 5.36 -1.05 -4.89 117.98 122.38 1occ s PHE 81 Ca 0.40 1.20 0.25 0.00 -0.96 0.00 0.00 56.93 57.83 1occ s PHE 81 Cb 0.32 -3.66 1.16 0.00 -0.34 0.00 0.00 43.02 40.50 1occ s PHE 81 CO 0.09 -0.79 1.76 -1.00 -1.46 0.00 0.00 175.22 173.82 1occ h PRO 82 N 8.09 0.00 -6.86 10.12 0.13 -1.93 -3.45 132.00 138.09 1occ h PRO 82 Ca -0.21 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.43 1occ h PRO 82 Cb 1.06 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.20 1occ h PRO 82 CO 1.03 0.00 0.12 0.20 -0.23 0.00 0.00 178.00 179.11 1occ s GLY 83 N -3.65 1.86 -0.41 1.56 0.00 -1.26 -5.03 107.32 100.39 1occ s GLY 83 Ca 0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 44.72 44.30 1occ s GLY 83 CO 0.35 -0.08 0.42 0.54 0.00 0.00 0.00 173.10 174.33 1occ s LYS 84 N -4.03 3.18 0.00 2.90 3.01 -1.26 -5.16 119.74 118.38 1occ s LYS 84 Ca 0.50 -0.70 0.09 0.00 -1.01 0.00 0.00 55.97 54.85 1occ s LYS 84 Cb -0.10 -3.94 0.07 0.00 -1.01 0.00 0.00 37.83 32.85 1occ s LYS 84 CO 0.34 -0.79 0.78 -0.89 0.51 0.00 0.00 175.35 175.30