#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whc n SER 2 N 0.00 0.56 -4.14 1.61 2.88 -1.26 -5.10 113.62 108.16 1whc n SER 2 Ca 0.00 0.22 -0.17 0.00 -1.33 0.00 0.00 58.87 57.59 1whc n SER 2 Cb 0.00 -0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 63.28 1whc n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1whc s SER 3 N -5.55 1.49 -0.34 -3.46 1.04 -1.26 -5.08 113.70 100.54 1whc s SER 3 Ca 0.00 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 55.83 1whc s SER 3 Cb 0.00 -0.04 0.26 0.00 0.10 0.00 0.00 66.02 66.33 1whc s SER 3 CO 0.00 -0.08 1.18 0.61 0.98 0.00 0.00 173.24 175.93 1whc n GLY 4 N 1.44 -1.67 3.30 7.32 0.00 -1.26 -5.16 105.19 109.17 1whc n GLY 4 Ca -0.21 1.05 -0.31 0.00 0.00 0.00 0.00 46.02 46.55 1whc n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whc s SER 5 N 0.04 3.01 0.59 1.61 0.15 -1.26 -5.04 113.70 112.81 1whc s SER 5 Ca 0.26 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1whc s SER 5 Cb 0.18 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1whc s SER 5 CO -0.09 0.31 0.00 -1.20 1.20 0.00 0.00 173.24 173.46 1whc n SER 6 N 2.47 -8.07 -3.70 5.45 7.64 -1.26 -4.88 113.62 111.26 1whc n SER 6 Ca -0.16 1.72 -0.30 0.00 1.01 0.00 0.00 58.87 61.14 1whc n SER 6 Cb 0.51 -4.91 -0.13 0.00 -1.01 0.00 0.00 64.21 58.67 1whc n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1whc s GLY 7 N -5.89 1.60 0.52 0.23 0.00 -1.26 -5.11 107.32 97.42 1whc s GLY 7 Ca 0.00 -2.51 0.07 0.00 0.00 0.00 0.00 44.72 42.28 1whc s GLY 7 CO 0.00 1.56 0.48 0.00 0.00 0.00 0.00 173.10 175.14 1whc s ALA 8 N 0.47 4.40 -0.36 3.20 0.00 -1.26 -5.11 121.76 123.11 1whc s ALA 8 Ca 0.17 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.54 1whc s ALA 8 Cb -0.24 -0.95 0.11 0.00 0.00 0.00 0.00 23.12 22.04 1whc s ALA 8 CO -0.01 -0.48 0.14 -1.21 0.00 0.00 0.00 175.76 174.20 1whc s GLU 9 N -4.33 0.98 -0.01 0.00 8.01 -1.26 -4.98 118.70 117.12 1whc s GLU 9 Ca 0.43 -1.48 -0.10 0.00 0.01 0.00 0.00 54.97 53.84 1whc s GLU 9 Cb -0.03 -2.22 -0.05 0.00 -4.31 0.00 0.00 34.13 27.51 1whc s GLU 9 CO 0.26 -1.04 0.67 -0.07 0.01 0.00 0.00 175.26 175.09 1whc h LEU 10 N 7.57 -0.30 -7.96 1.80 4.07 -1.99 -3.49 115.31 115.01 1whc h LEU 10 Ca -0.08 0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.90 1whc h LEU 10 Cb 0.98 0.08 -0.08 0.00 1.08 0.00 0.00 40.66 42.73 1whc h LEU 10 CO 0.48 -0.10 0.09 0.42 -1.08 0.00 0.00 178.44 178.25 1whc s THR 11 N -2.95 0.01 0.36 0.22 -4.23 -1.26 -5.00 115.64 102.79 1whc s THR 11 Ca -0.05 -1.03 0.10 0.00 -1.18 0.00 0.00 61.69 59.53 1whc s THR 11 Cb 0.01 -1.93 0.33 0.00 1.34 0.00 0.00 72.50 72.25 1whc s THR 11 CO 0.16 -0.02 1.85 0.00 -0.54 0.00 0.00 174.62 176.06 1whc h ALA 12 N 2.11 1.89 0.11 3.99 0.00 -1.97 0.48 119.26 125.88 1whc h ALA 12 Ca -0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1whc h ALA 12 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1whc h ALA 12 CO 0.30 -0.17 -0.05 1.25 0.00 0.00 0.00 179.25 180.58 1whc h LEU 13 N 0.64 -0.13 -0.83 0.00 7.12 -1.95 -2.93 115.31 117.23 1whc h LEU 13 Ca 0.48 0.00 0.15 0.00 0.13 0.00 0.00 57.88 58.64 1whc h LEU 13 Cb 0.86 0.03 -0.15 0.00 -0.53 0.00 0.00 40.66 40.87 1whc h LEU 13 CO -0.23 -0.04 -0.31 -0.33 -0.13 0.00 0.00 178.44 177.40 1whc h GLU 14 N -0.26 -0.05 -0.82 1.25 4.39 -1.87 0.49 114.58 117.72 1whc h GLU 14 Ca -0.02 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.86 1whc h GLU 14 Cb 0.11 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 28.62 1whc h GLU 14 CO 0.03 -0.03 -0.16 1.03 -1.16 0.00 0.00 179.01 178.71 1whc h SER 15 N -0.05 -0.69 -0.08 1.42 0.87 -0.14 0.47 113.55 115.36 1whc h SER 15 Ca 0.34 0.24 0.01 0.00 -1.23 0.00 0.00 61.79 61.15 1whc h SER 15 Cb 0.60 0.48 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1whc h SER 15 CO -0.86 -0.26 0.02 -0.07 -0.53 0.00 0.00 176.83 175.12 1whc h LEU 16 N 0.01 0.01 -1.63 2.23 3.38 0.12 -0.91 115.31 118.52 1whc h LEU 16 Ca 0.41 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.62 1whc h LEU 16 Cb 0.65 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1whc h LEU 16 CO -0.82 0.02 0.64 0.40 0.09 0.00 0.00 178.44 178.76 1whc h ILE 17 N 0.05 0.60 0.00 1.22 2.04 0.10 1.42 117.51 122.95 1whc h ILE 17 Ca 0.03 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1whc h ILE 17 Cb 0.03 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1whc h ILE 17 CO -0.04 0.05 0.00 -0.08 0.00 0.00 0.00 178.15 178.08 1whc h GLU 18 N 0.28 0.00 -0.46 2.37 4.22 0.66 0.29 114.58 121.94 1whc h GLU 18 Ca 0.49 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.93 1whc h GLU 18 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1whc h GLU 18 CO -0.15 0.00 0.00 -1.33 -2.18 0.00 0.00 179.01 175.35 1whc n MET 19 N -2.32 2.07 -1.56 1.92 2.81 0.49 -4.88 117.12 115.64 1whc n MET 19 Ca -0.01 -1.67 -0.07 0.00 -1.81 0.00 0.00 57.70 54.15 1whc n MET 19 Cb 0.05 -1.36 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 1whc n MET 19 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1whc n GLY 20 N 1.24 0.57 3.89 3.03 0.00 0.10 -5.02 105.19 109.00 1whc n GLY 20 Ca 0.16 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 1whc n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1whc s PHE 21 N -2.28 3.45 0.21 1.61 0.08 -1.22 -5.05 117.98 114.79 1whc s PHE 21 Ca 0.00 0.73 -0.30 0.00 0.12 0.00 0.00 56.93 57.48 1whc s PHE 21 Cb 0.00 -2.15 -0.08 0.00 -0.57 0.00 0.00 43.02 40.21 1whc s PHE 21 CO 0.00 0.26 1.10 -1.25 -0.10 0.00 0.00 175.22 175.23 1whc s PRO 22 N -3.08 4.61 0.11 0.24 0.04 -1.26 -4.49 135.00 131.16 1whc s PRO 22 Ca 0.45 1.75 -0.34 0.00 0.04 0.00 0.00 61.00 62.90 1whc s PRO 22 Cb -0.11 -3.25 -0.14 0.00 0.04 0.00 0.00 34.50 31.04 1whc s PRO 22 CO 0.25 0.11 1.56 -0.09 0.04 0.00 0.00 177.00 178.88 1whc h ARG 23 N 4.71 -0.73 -0.90 4.56 2.43 -1.98 -0.15 114.38 122.33 1whc h ARG 23 Ca -0.45 0.05 0.28 0.00 -0.81 0.00 0.00 59.98 59.05 1whc h ARG 23 Cb 1.21 0.17 -0.17 0.00 -0.42 0.00 0.00 29.97 30.76 1whc h ARG 23 CO 0.71 -0.49 0.13 0.41 -1.51 0.00 0.00 179.97 179.22 1whc n GLY 24 N -1.49 -1.09 0.08 2.80 0.00 -1.26 0.68 105.19 104.90 1whc n GLY 24 Ca -0.08 0.84 -0.03 0.00 0.00 0.00 0.00 46.02 46.75 1whc n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1whc h ARG 25 N 0.00 -0.18 -0.96 1.61 3.08 -1.62 0.29 114.38 116.61 1whc h ARG 25 Ca 0.60 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.76 1whc h ARG 25 Cb 1.33 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 31.29 1whc h ARG 25 CO -0.81 -0.12 -0.53 0.00 -1.07 0.00 0.00 179.97 177.45 1whc h ALA 26 N -1.81 -0.36 0.06 0.04 0.00 0.39 1.49 119.26 119.07 1whc h ALA 26 Ca -0.02 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1whc h ALA 26 Cb 0.14 1.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 1whc h ALA 26 CO 0.03 -0.87 -0.37 0.93 0.00 0.00 0.00 179.25 178.97 1whc h GLU 27 N -0.03 -0.54 -0.30 0.00 4.39 0.15 0.96 114.58 119.21 1whc h GLU 27 Ca 0.21 0.04 0.07 0.00 0.34 0.00 0.00 59.36 60.01 1whc h GLU 27 Cb 0.48 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.18 1whc h GLU 27 CO -0.93 -0.36 -0.18 -0.22 -1.16 0.00 0.00 179.01 176.16 1whc h LYS 28 N -0.56 -0.14 0.33 2.33 3.64 0.15 0.47 116.57 122.78 1whc h LYS 28 Ca 0.04 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1whc h LYS 28 Cb 0.62 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1whc h LYS 28 CO -0.26 -0.10 -0.25 0.00 -2.27 0.00 0.00 179.45 176.58 1whc h ALA 29 N 1.04 -1.02 -0.92 5.00 0.00 0.26 1.32 119.26 124.93 1whc h ALA 29 Ca 0.16 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1whc h ALA 29 Cb 0.39 0.42 -0.17 0.00 0.00 0.00 0.00 17.79 18.44 1whc h ALA 29 CO -0.40 -1.02 -0.30 -0.07 0.00 0.00 0.00 179.25 177.47 1whc h LEU 30 N -0.56 -1.10 0.18 0.00 -0.00 0.13 1.25 115.31 115.21 1whc h LEU 30 Ca -0.04 0.29 -0.01 0.00 -0.00 0.00 0.00 57.88 58.11 1whc h LEU 30 Cb 0.46 0.64 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1whc h LEU 30 CO 0.01 -0.30 -0.09 0.00 -0.00 0.00 0.00 178.44 178.07 1whc h ALA 31 N 1.65 -0.24 -0.42 1.53 0.00 0.27 1.68 119.26 123.72 1whc h ALA 31 Ca 0.39 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.33 1whc h ALA 31 Cb 0.64 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1whc h ALA 31 CO -0.95 -0.62 -0.13 -0.07 0.00 0.00 0.00 179.25 177.48 1whc h LEU 32 N -0.27 -0.47 -0.33 0.00 3.38 0.67 -1.27 115.31 117.02 1whc h LEU 32 Ca -0.02 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1whc h LEU 32 Cb 0.21 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1whc h LEU 32 CO 0.04 -0.17 0.03 0.71 0.09 0.00 0.00 178.44 179.15 1whc h THR 33 N -0.04 1.24 0.00 0.22 1.35 0.16 -3.47 112.91 112.37 1whc h THR 33 Ca 0.20 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1whc h THR 33 Cb 0.35 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1whc h THR 33 CO -0.45 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 175.72 1whc n GLY 34 N -0.43 1.11 4.17 5.82 0.00 0.41 -4.74 105.19 111.53 1whc n GLY 34 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1whc n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1whc n ASN 35 N 0.00 -2.00 -0.10 1.61 4.13 0.47 -4.86 115.26 114.51 1whc n ASN 35 Ca 0.00 -1.29 -0.24 0.00 1.68 0.00 0.00 54.58 54.74 1whc n ASN 35 Cb 0.00 -1.68 -0.11 0.00 -1.54 0.00 0.00 39.78 36.44 1whc n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1whc n GLN 36 N -4.86 0.60 -3.17 3.52 1.13 -1.26 -5.09 117.38 108.25 1whc n GLN 36 Ca -0.20 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 1whc n GLN 36 Cb 0.62 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 29.31 1whc n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1whc n GLY 37 N 1.50 -1.33 0.07 1.08 0.00 -1.26 -5.00 105.19 100.25 1whc n GLY 37 Ca -0.39 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 1whc n GLY 37 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1whc h ILE 38 N 0.00 0.00 -0.93 -0.61 2.04 -1.98 -1.58 117.51 114.44 1whc h ILE 38 Ca 0.00 -0.16 0.21 0.00 1.00 0.00 0.00 64.86 65.91 1whc h ILE 38 Cb 0.00 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 35.90 1whc h ILE 38 CO 0.00 0.00 -0.13 -0.62 0.00 0.00 0.00 178.15 177.40 1whc n GLU 39 N -2.90 -0.08 0.12 2.37 1.02 -1.26 0.18 120.64 120.09 1whc n GLU 39 Ca -0.02 1.43 -0.13 0.00 -0.02 0.00 0.00 57.16 58.42 1whc n GLU 39 Cb 0.07 -2.20 -0.07 0.00 -0.02 0.00 0.00 31.44 29.22 1whc n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1whc h ALA 40 N 1.87 -0.24 0.97 0.62 0.00 -1.95 -1.10 119.26 119.43 1whc h ALA 40 Ca 0.50 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 1whc h ALA 40 Cb 0.87 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1whc h ALA 40 CO -0.93 -0.64 -0.47 0.00 0.00 0.00 0.00 179.25 177.21 1whc h ALA 41 N 0.58 -1.34 -0.89 0.00 0.00 0.20 -2.99 119.26 114.83 1whc h ALA 41 Ca -0.01 -0.29 0.15 0.00 0.00 0.00 0.00 54.91 54.77 1whc h ALA 41 Cb 0.23 0.51 -0.15 0.00 0.00 0.00 0.00 17.79 18.37 1whc h ALA 41 CO 0.00 -1.24 -0.31 -1.33 0.00 0.00 0.00 179.25 176.37 1whc n MET 42 N -5.55 -0.17 -0.35 0.00 2.00 0.49 0.12 117.12 113.66 1whc n MET 42 Ca -0.16 1.38 0.05 0.00 0.00 0.00 0.00 57.70 58.97 1whc n MET 42 Cb 0.52 -2.05 0.13 0.00 0.00 0.00 0.00 33.22 31.82 1whc n MET 42 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 1whc h ASP 43 N 0.00 -0.92 0.84 7.83 1.82 -1.04 0.90 116.42 125.84 1whc h ASP 43 Ca 0.35 0.29 -0.04 0.00 -0.39 0.00 0.00 57.03 57.24 1whc h ASP 43 Cb 0.57 0.61 0.01 0.00 0.68 0.00 0.00 39.33 41.20 1whc h ASP 43 CO -0.90 -0.32 -0.40 -0.25 -1.61 0.00 0.00 179.24 175.76 1whc h TRP 44 N -0.00 -1.05 -0.14 0.28 7.01 0.98 -0.67 115.95 122.37 1whc h TRP 44 Ca 0.47 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.46 1whc h TRP 44 Cb 0.71 0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 28.09 1whc h TRP 44 CO -0.76 -0.65 -0.17 -0.07 -2.79 0.00 0.00 178.44 174.00 1whc h LEU 45 N -1.13 -0.58 -1.06 0.65 3.38 0.61 0.89 115.31 118.08 1whc h LEU 45 Ca -0.11 0.08 0.38 0.00 0.09 0.00 0.00 57.88 58.31 1whc h LEU 45 Cb 0.86 0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.69 1whc h LEU 45 CO 0.19 -0.12 0.60 0.24 0.09 0.00 0.00 178.44 179.44 1whc h MET 46 N -0.11 0.14 -0.30 1.13 2.86 0.58 1.72 114.93 120.96 1whc h MET 46 Ca 0.02 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.50 1whc h MET 46 Cb 0.18 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1whc h MET 46 CO -0.19 0.10 -0.43 1.49 1.06 0.00 0.00 176.91 178.94 1whc h GLU 47 N 0.15 0.81 -0.56 1.72 4.81 0.11 -2.71 114.58 118.91 1whc h GLU 47 Ca 0.80 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1whc h GLU 47 Cb 2.06 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.48 1whc h GLU 47 CO -0.65 1.11 0.00 0.72 -0.73 0.00 0.00 179.01 179.46 1whc n HIS 48 N -4.12 0.79 0.17 0.92 8.25 0.42 -4.22 115.22 117.43 1whc n HIS 48 Ca -0.04 -0.32 0.19 0.00 -0.26 0.00 0.00 57.72 57.28 1whc n HIS 48 Cb 0.56 -0.13 0.77 0.00 1.12 0.00 0.00 29.99 32.31 1whc n HIS 48 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1whc h GLU 49 N 2.31 0.00 0.00 -0.41 4.11 0.23 0.69 114.58 121.51 1whc h GLU 49 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1whc h GLU 49 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1whc h GLU 49 CO 0.11 0.00 -0.29 -0.25 0.07 0.00 0.00 179.01 178.65 1whc n ASP 50 N -3.49 1.98 -4.34 3.06 9.92 -1.26 -5.07 116.55 117.35 1whc n ASP 50 Ca 0.04 -3.57 -0.43 0.00 -0.53 0.00 0.00 54.79 50.31 1whc n ASP 50 Cb 0.53 -0.49 -0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1whc n ASP 50 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1whc n ASP 51 N -1.25 -2.30 0.08 -2.24 2.03 0.24 -4.86 116.55 108.25 1whc n ASP 51 Ca 0.18 0.87 -0.08 0.00 0.52 0.00 0.00 54.79 56.28 1whc n ASP 51 Cb 0.67 -0.93 0.03 0.00 -0.72 0.00 0.00 41.12 40.16 1whc n ASP 51 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1whc h PRO 52 N 0.50 0.20 -0.79 -0.67 0.13 -1.98 -3.41 132.00 125.99 1whc h PRO 52 Ca -0.36 -0.20 -0.11 0.00 -0.87 0.00 0.00 66.00 64.46 1whc h PRO 52 Cb 1.44 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.46 1whc h PRO 52 CO 0.49 0.90 -0.39 -0.25 -0.23 0.00 0.00 178.00 178.52 1whc n ASP 53 N -3.72 -2.94 0.23 1.44 8.00 -1.26 -4.99 116.55 113.31 1whc n ASP 53 Ca -0.03 -2.41 0.09 0.00 0.71 0.00 0.00 54.79 53.15 1whc n ASP 53 Cb 0.75 1.49 0.51 0.00 -0.02 0.00 0.00 41.12 43.86 1whc n ASP 53 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1whc h VAL 54 N 4.36 0.70 -2.09 2.53 3.04 -1.95 -3.33 116.25 119.51 1whc h VAL 54 Ca 0.04 -1.02 -0.54 0.00 -1.01 0.00 0.00 66.70 64.17 1whc h VAL 54 Cb 1.12 1.65 -0.36 0.00 -2.01 0.00 0.00 31.29 31.69 1whc h VAL 54 CO -0.02 0.23 -0.97 -0.67 -1.01 0.00 0.00 177.57 175.13 1whc n ASP 55 N -3.57 -0.59 -4.48 3.17 2.03 -1.26 -4.95 116.55 106.90 1whc n ASP 55 Ca -0.01 -2.53 -0.37 0.00 0.52 0.00 0.00 54.79 52.40 1whc n ASP 55 Cb 0.38 -0.34 0.05 0.00 -0.72 0.00 0.00 41.12 40.49 1whc n ASP 55 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1whc n GLU 56 N 2.41 0.48 -2.52 -0.67 0.28 -1.25 -4.91 120.64 114.46 1whc n GLU 56 Ca 0.26 0.20 -0.39 0.00 -0.16 0.00 0.00 57.16 57.06 1whc n GLU 56 Cb 0.50 -1.78 -0.04 0.00 1.43 0.00 0.00 31.44 31.55 1whc n GLU 56 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1whc s PRO 57 N -2.34 4.52 -0.77 3.44 0.04 -1.26 -4.99 135.00 133.64 1whc s PRO 57 Ca 0.68 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.45 1whc s PRO 57 Cb -0.41 -3.01 0.25 0.00 0.04 0.00 0.00 34.50 31.36 1whc s PRO 57 CO 0.55 0.14 0.86 1.28 0.04 0.00 0.00 177.00 179.86 1whc n LEU 58 N 0.85 4.24 0.00 -3.56 4.32 -1.26 -4.62 117.00 116.97 1whc n LEU 58 Ca 0.01 -5.33 0.00 0.00 -0.02 0.00 0.00 56.01 50.66 1whc n LEU 58 Cb 0.46 -0.85 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 1whc n LEU 58 CO 0.51 1.88 0.00 -1.20 -1.22 0.00 0.00 177.39 177.36 1whc n SER 59 N 1.28 0.00 0.00 -1.43 7.64 -1.26 -5.16 113.62 114.68 1whc n SER 59 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1whc n SER 59 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1whc n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whc n GLY 60 N 0.00 3.24 3.57 0.23 0.00 -1.26 -4.99 105.19 105.98 1whc n GLY 60 Ca 0.00 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1whc n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whc s PRO 61 N -3.25 3.23 -0.82 1.61 0.04 -1.26 -4.93 135.00 129.62 1whc s PRO 61 Ca 0.00 0.54 -0.01 0.00 0.04 0.00 0.00 61.00 61.57 1whc s PRO 61 Cb 0.00 -4.16 0.20 0.00 0.04 0.00 0.00 34.50 30.58 1whc s PRO 61 CO 0.00 -2.02 0.68 0.45 0.04 0.00 0.00 177.00 176.15 1whc s SER 62 N 4.96 5.70 0.54 6.66 0.15 -1.26 -5.02 113.70 125.43 1whc s SER 62 Ca 0.56 -3.60 0.00 0.00 0.70 0.00 0.00 55.95 53.61 1whc s SER 62 Cb -0.12 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1whc s SER 62 CO 0.25 -0.20 0.00 -0.24 1.20 0.00 0.00 173.24 174.25 1whc n SER 63 N 2.47 -7.59 0.00 5.45 2.88 -1.26 -5.30 113.62 110.26 1whc n SER 63 Ca 0.19 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 1whc n SER 63 Cb 0.37 -4.69 0.00 0.00 -0.75 0.00 0.00 64.21 59.14 1whc n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42