#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s GLU 2 N 0.00 1.21 -0.55 -1.08 8.01 -1.26 -5.11 118.70 119.93 2occ s GLU 2 Ca 0.00 -0.79 -0.28 0.00 0.01 0.00 0.00 54.97 53.91 2occ s GLU 2 Cb 0.00 -1.25 0.03 0.00 -4.31 0.00 0.00 34.13 28.59 2occ s GLU 2 CO 0.00 0.32 1.20 1.21 0.01 0.00 0.00 175.26 178.01 2occ s ASN 3 N -0.97 6.46 -0.19 -0.19 3.84 -1.26 -4.89 114.94 117.74 2occ s ASN 3 Ca 0.05 0.22 0.15 0.00 0.21 0.00 0.00 52.86 53.48 2occ s ASN 3 Cb -0.08 -2.55 0.41 0.00 -0.55 0.00 0.00 41.25 38.48 2occ s ASN 3 CO 0.01 -1.45 1.29 -2.11 -2.79 0.00 0.00 177.10 172.05 2occ n ARG 4 N 8.32 1.81 0.21 0.43 0.00 -1.26 -4.71 116.66 121.46 2occ n ARG 4 Ca 0.10 -2.92 0.08 0.00 -0.00 0.00 0.00 57.85 55.11 2occ n ARG 4 Cb 0.49 -1.66 0.45 0.00 -0.00 0.00 0.00 32.46 31.74 2occ n ARG 4 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2occ h VAL 5 N 0.80 0.74 -0.61 8.89 -1.51 -2.00 -3.03 116.25 119.53 2occ h VAL 5 Ca 0.04 -1.18 -0.05 0.00 -1.23 0.00 0.00 66.70 64.28 2occ h VAL 5 Cb 1.23 1.75 -0.03 0.00 -2.13 0.00 0.00 31.29 32.10 2occ h VAL 5 CO 0.12 0.27 0.19 0.00 -1.23 0.00 0.00 177.57 176.92 2occ h ALA 6 N 1.72 1.19 -0.38 5.19 0.00 -1.99 0.15 119.26 125.14 2occ h ALA 6 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2occ h ALA 6 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2occ h ALA 6 CO 0.04 0.57 0.09 0.93 0.00 0.00 0.00 179.25 180.87 2occ h GLU 7 N 0.89 0.61 -0.50 0.00 5.08 -1.90 -2.50 114.58 116.26 2occ h GLU 7 Ca 0.20 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2occ h GLU 7 Cb 0.26 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2occ h GLU 7 CO -0.01 0.65 0.33 0.87 -1.00 0.00 0.00 179.01 179.85 2occ h LYS 8 N 0.47 0.67 -0.86 2.33 6.56 -1.44 -0.26 116.57 124.03 2occ h LYS 8 Ca 0.12 -0.04 0.09 0.00 -1.06 0.00 0.00 60.65 59.76 2occ h LYS 8 Cb 0.31 -0.15 -0.07 0.00 -0.57 0.00 0.00 32.23 31.75 2occ h LYS 8 CO 0.00 0.45 0.51 1.96 -2.06 0.00 0.00 179.45 180.31 2occ h GLN 9 N 0.68 0.83 0.22 3.15 4.20 -0.60 0.44 115.11 124.03 2occ h GLN 9 Ca 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2occ h GLN 9 Cb -0.07 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.53 2occ h GLN 9 CO -0.04 0.55 -0.11 -0.22 -0.67 0.00 0.00 178.83 178.35 2occ h LYS 10 N 0.86 -0.29 -0.86 1.46 1.63 -0.97 -0.48 116.57 117.92 2occ h LYS 10 Ca 0.41 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.34 2occ h LYS 10 Cb 0.34 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.95 2occ h LYS 10 CO -0.23 -0.01 0.48 1.25 -3.45 0.00 0.00 179.45 177.48 2occ h LEU 11 N -0.55 0.65 0.00 5.20 5.85 -0.49 -2.54 115.31 123.43 2occ h LEU 11 Ca -0.03 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2occ h LEU 11 Cb 0.41 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 2occ h LEU 11 CO 0.05 0.34 -0.24 -0.26 -0.34 0.00 0.00 178.44 177.99 2occ h PHE 12 N 0.75 0.00 -0.01 1.25 0.04 -0.77 -3.27 116.94 114.94 2occ h PHE 12 Ca 0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.20 2occ h PHE 12 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2occ h PHE 12 CO -0.06 0.02 -0.38 1.04 -0.60 0.00 0.00 178.31 178.33 2occ n GLN 13 N -3.01 0.61 -1.62 1.51 6.02 -0.20 -4.91 117.38 115.77 2occ n GLN 13 Ca 0.03 -0.38 -0.45 0.00 -0.01 0.00 0.00 57.00 56.19 2occ n GLN 13 Cb 0.54 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.27 2occ n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2occ n GLU 14 N -0.86 2.24 -0.76 -1.09 2.13 -0.99 -4.84 120.64 116.46 2occ n GLU 14 Ca 0.10 0.75 -0.39 0.00 0.66 0.00 0.00 57.16 58.27 2occ n GLU 14 Cb 0.35 -2.95 -0.08 0.00 0.27 0.00 0.00 31.44 29.04 2occ n GLU 14 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2occ n ASP 15 N 8.94 1.87 -1.34 4.31 8.00 -1.26 -4.56 116.55 132.51 2occ n ASP 15 Ca 0.26 -2.53 0.09 0.00 0.71 0.00 0.00 54.79 53.32 2occ n ASP 15 Cb 0.38 -0.81 0.31 0.00 -0.02 0.00 0.00 41.12 40.98 2occ n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2occ n ASN 16 N 7.68 4.35 -0.50 -2.24 0.23 -1.26 -4.96 115.26 118.55 2occ n ASN 16 Ca 0.44 -2.44 -0.07 0.00 -0.53 0.00 0.00 54.58 51.99 2occ n ASN 16 Cb 0.36 -0.52 -0.03 0.00 -2.08 0.00 0.00 39.78 37.51 2occ n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2occ n GLY 17 N 0.84 0.67 3.84 4.83 0.00 -1.26 -4.98 105.19 109.12 2occ n GLY 17 Ca 0.23 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2occ n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2occ s LEU 18 N -1.50 4.46 0.60 0.99 1.43 -1.26 -5.07 118.68 118.33 2occ s LEU 18 Ca 0.00 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 53.86 2occ s LEU 18 Cb 0.00 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 2occ s LEU 18 CO 0.00 0.32 1.09 -2.16 0.23 0.00 0.00 176.35 175.83 2occ s PRO 19 N -1.14 3.15 0.47 1.29 0.04 -1.26 -4.68 135.00 132.86 2occ s PRO 19 Ca 0.24 1.36 0.27 0.00 0.04 0.00 0.00 61.00 62.91 2occ s PRO 19 Cb -0.16 -2.00 1.33 0.00 0.04 0.00 0.00 34.50 33.71 2occ s PRO 19 CO 0.13 -0.97 1.78 -0.24 0.04 0.00 0.00 177.00 177.74 2occ h VAL 20 N 0.49 0.45 0.00 -0.36 3.04 -1.97 -0.24 116.25 117.65 2occ h VAL 20 Ca -0.48 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2occ h VAL 20 Cb 1.24 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 2occ h VAL 20 CO 0.56 0.04 0.00 0.00 -1.01 0.00 0.00 177.57 177.16 2occ n HIS 21 N -4.43 0.00 0.00 3.17 1.44 -1.26 -3.12 115.22 111.02 2occ n HIS 21 Ca 0.26 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.97 2occ n HIS 21 Cb 1.08 -0.28 0.00 0.00 0.12 0.00 0.00 29.99 30.91 2occ n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2occ n LEU 22 N -1.28 0.00 0.33 2.39 4.77 -0.20 -4.70 117.00 118.31 2occ n LEU 22 Ca 0.11 -0.28 0.22 0.00 -0.03 0.00 0.00 56.01 56.03 2occ n LEU 22 Cb 0.17 0.00 1.19 0.00 -2.33 0.00 0.00 43.42 42.45 2occ n LEU 22 CO 0.17 0.00 1.17 0.50 -1.33 0.00 0.00 177.39 177.90 2occ h LYS 23 N 0.00 0.00 0.00 3.23 3.64 -1.24 -2.83 116.57 119.37 2occ h LYS 23 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2occ h LYS 23 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2occ h LYS 23 CO 0.00 0.00 0.00 0.78 -2.27 0.00 0.00 179.45 177.96 2occ h GLY 24 N 0.00 0.00 0.00 5.01 0.00 -1.87 -3.46 103.07 102.75 2occ h GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2occ h GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2occ n GLY 25 N 0.60 0.50 0.11 4.60 0.00 -1.07 -4.89 105.19 105.03 2occ n GLY 25 Ca 0.03 -1.43 0.10 0.00 0.00 0.00 0.00 46.02 44.72 2occ n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2occ n ALA 26 N -0.81 2.46 0.14 4.61 0.00 -1.26 -4.01 120.51 121.64 2occ n ALA 26 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2occ n ALA 26 Cb 0.00 -1.09 0.14 0.00 0.00 0.00 0.00 19.45 18.50 2occ n ALA 26 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2occ h THR 27 N 0.00 1.24 -0.75 0.00 1.35 -1.95 -2.96 112.91 109.83 2occ h THR 27 Ca -0.02 -2.21 0.03 0.00 -0.55 0.00 0.00 66.41 63.66 2occ h THR 27 Cb 1.06 2.26 -0.05 0.00 -1.73 0.00 0.00 68.15 69.69 2occ h THR 27 CO 0.00 0.59 0.48 0.44 -0.25 0.00 0.00 175.52 176.78 2occ h ASP 28 N 0.00 0.80 -0.06 5.36 5.19 -1.88 0.41 116.42 126.24 2occ h ASP 28 Ca -0.01 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 2occ h ASP 28 Cb 1.21 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 2occ h ASP 28 CO 0.08 0.55 0.02 -1.13 -3.12 0.00 0.00 179.24 175.64 2occ h ASN 29 N 0.94 0.09 -0.35 6.45 -0.73 -1.71 0.15 115.58 120.43 2occ h ASN 29 Ca 0.30 -0.20 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 2occ h ASN 29 Cb -0.00 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 2occ h ASN 29 CO -0.10 0.27 0.10 0.16 -0.37 0.00 0.00 177.43 177.48 2occ h ILE 30 N -0.09 1.22 -0.44 2.57 -0.00 -1.31 -0.33 117.51 119.13 2occ h ILE 30 Ca 0.02 -0.72 0.07 0.00 -0.00 0.00 0.00 64.86 64.23 2occ h ILE 30 Cb 0.21 1.02 -0.06 0.00 -0.00 0.00 0.00 36.82 37.99 2occ h ILE 30 CO -0.00 0.25 0.11 -0.07 -0.00 0.00 0.00 178.15 178.43 2occ h LEU 31 N 0.42 0.05 -0.25 0.16 3.38 -0.85 0.19 115.31 118.41 2occ h LEU 31 Ca 0.11 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2occ h LEU 31 Cb 0.28 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2occ h LEU 31 CO -0.00 0.06 0.09 0.22 0.09 0.00 0.00 178.44 178.90 2occ h TYR 32 N 0.25 0.16 -0.10 1.13 3.20 -0.37 0.57 116.97 121.82 2occ h TYR 32 Ca 0.21 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 2occ h TYR 32 Cb 0.25 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2occ h TYR 32 CO -0.20 0.08 -0.36 0.00 -1.64 0.00 0.00 178.16 176.04 2occ h ARG 33 N 0.21 0.21 -0.18 1.82 3.08 -0.25 -0.52 114.38 118.74 2occ h ARG 33 Ca 0.11 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2occ h ARG 33 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2occ h ARG 33 CO -0.11 0.55 -0.05 0.28 -1.07 0.00 0.00 179.97 179.57 2occ h VAL 34 N 0.18 1.29 0.64 2.04 2.07 -0.12 -1.85 116.25 120.50 2occ h VAL 34 Ca 0.02 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 2occ h VAL 34 Cb 0.73 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2occ h VAL 34 CO 0.05 0.31 -0.34 0.74 0.02 0.00 0.00 177.57 178.36 2occ h THR 35 N 0.06 0.30 -0.75 2.57 2.02 -0.59 -0.84 112.91 115.67 2occ h THR 35 Ca 0.04 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.35 2occ h THR 35 Cb 0.51 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 2occ h THR 35 CO 0.02 0.00 0.50 0.24 0.37 0.00 0.00 175.52 176.65 2occ h MET 36 N -0.91 0.52 -0.11 6.66 2.07 -1.13 -1.54 114.93 120.48 2occ h MET 36 Ca -0.08 -0.03 -0.06 0.00 -2.07 0.00 0.00 59.70 57.46 2occ h MET 36 Cb 0.71 -0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 30.33 2occ h MET 36 CO 0.12 0.34 -0.16 1.15 1.07 0.00 0.00 176.91 179.43 2occ h THR 37 N 0.53 1.38 -0.78 2.22 2.02 -0.76 -1.39 112.91 116.13 2occ h THR 37 Ca 0.36 -1.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 2occ h THR 37 Cb 0.66 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 2occ h THR 37 CO -0.13 0.40 0.40 -0.07 0.37 0.00 0.00 175.52 176.49 2occ h LEU 38 N -0.12 1.00 -0.31 2.58 3.38 -0.79 0.54 115.31 121.59 2occ h LEU 38 Ca 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2occ h LEU 38 Cb 0.73 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2occ h LEU 38 CO 0.04 0.83 0.12 0.00 0.09 0.00 0.00 178.44 179.52 2occ h LEU 40 N 0.36 0.60 0.09 0.00 3.38 -1.13 -0.35 115.31 118.26 2occ h LEU 40 Ca 0.10 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2occ h LEU 40 Cb 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2occ h LEU 40 CO -0.01 0.96 -0.04 1.23 0.09 0.00 0.00 178.44 180.67 2occ h GLY 41 N 0.26 -0.13 1.17 0.83 0.00 -0.86 -1.44 103.07 102.91 2occ h GLY 41 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.46 2occ h GLY 41 CO 0.06 -0.05 0.43 -1.33 0.00 0.00 0.00 176.54 175.66 2occ h GLY 42 N -0.26 0.86 1.72 4.60 0.00 -0.50 0.11 103.07 109.60 2occ h GLY 42 Ca -0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 2occ h GLY 42 CO 0.02 0.23 -0.45 -0.84 0.00 0.00 0.00 176.54 175.50 2occ h THR 43 N 0.72 1.32 -0.21 4.70 2.02 -0.80 0.04 112.91 120.71 2occ h THR 43 Ca 0.27 -1.63 -0.17 0.00 0.77 0.00 0.00 66.41 65.65 2occ h THR 43 Cb 0.18 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2occ h THR 43 CO -0.08 0.49 -0.53 -0.07 0.37 0.00 0.00 175.52 175.70 2occ h LEU 44 N 0.25 0.83 -0.44 2.58 3.38 0.21 -1.86 115.31 120.26 2occ h LEU 44 Ca 0.02 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.43 2occ h LEU 44 Cb 0.90 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2occ h LEU 44 CO 0.07 1.25 0.27 0.22 0.09 0.00 0.00 178.44 180.34 2occ h TYR 45 N 0.45 0.50 -0.45 1.13 3.20 -0.73 -2.23 116.97 118.83 2occ h TYR 45 Ca -0.01 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.95 2occ h TYR 45 Cb 1.15 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 39.19 2occ h TYR 45 CO 0.09 0.30 0.09 1.03 -1.64 0.00 0.00 178.16 178.02 2occ h SER 46 N 0.54 0.00 -0.83 -2.11 0.87 -0.79 -1.38 113.55 109.85 2occ h SER 46 Ca 0.17 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2occ h SER 46 Cb -0.01 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 2occ h SER 46 CO -0.07 0.03 0.48 -0.07 -0.53 0.00 0.00 176.83 176.68 2occ h LEU 47 N 0.22 1.01 0.08 2.23 4.07 -1.04 -1.78 115.31 120.10 2occ h LEU 47 Ca 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 2occ h LEU 47 Cb 0.28 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2occ h LEU 47 CO -0.29 0.79 -0.04 0.22 -1.08 0.00 0.00 178.44 178.04 2occ h TYR 48 N 1.15 -0.10 -0.69 1.13 3.20 -0.74 -0.36 116.97 120.57 2occ h TYR 48 Ca 0.30 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.25 2occ h TYR 48 Cb -0.02 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.21 2occ h TYR 48 CO 0.01 -0.02 0.34 0.00 -1.64 0.00 0.00 178.16 176.85 2occ h LEU 50 N 0.59 0.63 -1.33 0.00 7.12 -1.05 0.09 115.31 121.35 2occ h LEU 50 Ca 0.34 -0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.33 2occ h LEU 50 Cb 0.34 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 2occ h LEU 50 CO -0.26 0.44 0.22 1.23 -0.13 0.00 0.00 178.44 179.95 2occ h GLY 51 N 0.76 0.73 0.46 3.75 0.00 0.11 -1.98 103.07 106.89 2occ h GLY 51 Ca 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2occ h GLY 51 CO -0.09 0.32 -0.15 -0.25 0.00 0.00 0.00 176.54 176.37 2occ h TRP 52 N 0.68 -0.38 -0.07 5.60 7.01 0.07 -3.30 115.95 125.56 2occ h TRP 52 Ca 0.17 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.18 2occ h TRP 52 Cb 0.09 0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.27 2occ h TRP 52 CO 0.01 -0.05 0.06 0.00 -2.79 0.00 0.00 178.44 175.66 2occ h ALA 53 N -0.62 1.82 0.00 2.65 0.00 -0.93 -2.16 119.26 120.01 2occ h ALA 53 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2occ h ALA 53 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2occ h ALA 53 CO 0.07 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 2occ n SER 54 N -4.13 0.00 -4.64 0.00 3.41 -0.75 -4.66 113.62 102.84 2occ n SER 54 Ca -0.01 0.40 -0.34 0.00 -0.26 0.00 0.00 58.87 58.66 2occ n SER 54 Cb 0.16 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 2occ n SER 54 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2occ s PHE 55 N -2.89 3.02 -0.17 7.33 0.40 -0.82 -5.05 117.98 119.81 2occ s PHE 55 Ca 0.08 0.07 -0.31 0.00 -0.60 0.00 0.00 56.93 56.17 2occ s PHE 55 Cb 0.09 -1.70 -0.08 0.00 0.51 0.00 0.00 43.02 41.83 2occ s PHE 55 CO 0.23 0.41 2.10 -0.35 0.70 0.00 0.00 175.22 178.31 2occ n PRO 56 N 1.88 2.01 -3.85 0.24 -0.04 -1.26 -4.92 135.00 129.06 2occ n PRO 56 Ca -0.17 0.64 -0.36 0.00 -0.04 0.00 0.00 63.50 63.57 2occ n PRO 56 Cb 0.53 -2.93 -0.13 0.00 -0.04 0.00 0.00 33.50 30.93 2occ n PRO 56 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2occ s HIS 57 N 6.55 3.33 -1.90 0.54 3.76 -1.26 -5.16 115.29 121.15 2occ s HIS 57 Ca 0.99 -1.90 0.15 0.00 -0.15 0.00 0.00 55.06 54.15 2occ s HIS 57 Cb -0.53 -2.37 0.12 0.00 1.11 0.00 0.00 32.58 30.92 2occ s HIS 57 CO 0.43 -0.82 0.98 1.63 -0.85 0.00 0.00 174.74 176.10