#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dof n SER 15 N 0.00 0.47 0.06 6.43 2.88 -1.26 -5.01 113.62 117.20 3dof n SER 15 Ca 0.00 0.07 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 3dof n SER 15 Cb 0.00 -0.30 -0.08 0.00 -0.75 0.00 0.00 64.21 63.08 3dof n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dof h ALA 16 N -0.68 -0.11 0.00 -1.46 0.00 -2.08 -3.35 119.26 111.57 3dof h ALA 16 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3dof h ALA 16 Cb 0.13 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 3dof h ALA 16 CO 0.00 -0.46 -0.52 0.43 0.00 0.00 0.00 179.25 178.70 3dof n SER 17 N -5.05 1.52 0.24 0.00 7.64 -1.26 -4.57 113.62 112.15 3dof n SER 17 Ca -0.08 -3.13 0.10 0.00 1.01 0.00 0.00 58.87 56.77 3dof n SER 17 Cb 0.15 -0.43 0.62 0.00 -1.01 0.00 0.00 64.21 63.55 3dof n SER 17 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3dof h ASP 18 N 0.70 0.00 0.00 6.43 5.19 -1.96 -3.10 116.42 123.69 3dof h ASP 18 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3dof h ASP 18 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3dof h ASP 18 CO 0.02 0.17 0.00 0.00 -3.12 0.00 0.00 179.24 176.31 3dof n ALA 19 N -2.31 -0.44 -0.09 3.45 0.00 -1.26 -2.14 120.51 117.72 3dof n ALA 19 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3dof n ALA 19 Cb 0.29 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 3dof n ALA 19 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3dof n GLU 20 N -1.90 -0.10 0.26 0.00 0.00 -1.18 0.67 120.64 118.39 3dof n GLU 20 Ca 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 57.16 57.32 3dof n GLU 20 Cb 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.85 3dof n GLU 20 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3dof h PHE 21 N 0.00 -1.38 -0.49 4.31 3.57 -1.63 0.08 116.94 121.40 3dof h PHE 21 Ca 0.03 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.60 3dof h PHE 21 Cb 0.09 0.55 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 3dof h PHE 21 CO -0.23 -0.65 0.33 -0.44 -2.23 0.00 0.00 178.31 175.09 3dof h ASP 22 N -0.94 0.41 0.89 0.41 3.45 0.73 0.26 116.42 121.62 3dof h ASP 22 Ca -0.05 -0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.35 3dof h ASP 22 Cb 0.84 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 3dof h ASP 22 CO -0.11 0.27 -0.30 0.00 -1.57 0.00 0.00 179.24 177.54 3dof h ALA 23 N 1.73 1.01 0.17 3.45 0.00 0.52 -2.06 119.26 124.08 3dof h ALA 23 Ca 0.21 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 3dof h ALA 23 Cb 0.23 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.00 3dof h ALA 23 CO -0.05 0.38 -1.20 0.28 0.00 0.00 0.00 179.25 178.65 3dof h VAL 24 N 0.00 1.35 -0.51 0.00 2.07 0.11 -3.32 116.25 115.95 3dof h VAL 24 Ca -0.00 -2.55 0.10 0.00 0.82 0.00 0.00 66.70 65.07 3dof h VAL 24 Cb 0.83 2.95 -0.09 0.00 -1.52 0.00 0.00 31.29 33.46 3dof h VAL 24 CO 0.04 0.76 -0.07 0.58 0.02 0.00 0.00 177.57 178.90 3dof h VAL 25 N 0.05 0.54 -1.02 2.57 2.07 -0.42 -0.91 116.25 119.13 3dof h VAL 25 Ca -0.20 -0.02 0.40 0.00 0.82 0.00 0.00 66.70 67.70 3dof h VAL 25 Cb 1.92 0.48 -0.15 0.00 -1.52 0.00 0.00 31.29 32.02 3dof h VAL 25 CO 0.23 0.01 0.59 0.61 0.02 0.00 0.00 177.57 179.03 3dof n GLY 26 N -1.34 -0.70 0.10 2.17 0.00 -0.79 0.37 105.19 105.00 3dof n GLY 26 Ca 0.05 0.71 0.04 0.00 0.00 0.00 0.00 46.02 46.82 3dof n GLY 26 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3dof h TYR 27 N 0.00 0.00 0.00 1.61 -1.99 -1.33 -2.67 116.97 112.59 3dof h TYR 27 Ca 0.77 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.50 3dof h TYR 27 Cb 2.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.94 3dof h TYR 27 CO -0.01 0.39 0.00 1.28 -0.00 0.00 0.00 178.16 179.82 3dof n LEU 28 N -2.83 0.23 0.03 3.88 4.77 0.16 0.15 117.00 123.39 3dof n LEU 28 Ca -0.06 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3dof n LEU 28 Cb 0.74 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3dof n LEU 28 CO 0.42 0.06 0.00 -0.62 -1.33 0.00 0.00 177.39 175.92 3dof n GLU 29 N -0.18 0.00 -0.03 3.23 1.02 -1.17 -4.78 120.64 118.74 3dof n GLU 29 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 3dof n GLU 29 Cb 0.06 -0.26 -0.01 0.00 -0.02 0.00 0.00 31.44 31.21 3dof n GLU 29 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dof n ASP 30 N -3.06 -0.08 -0.07 1.62 9.92 -1.01 -0.58 116.55 123.29 3dof n ASP 30 Ca 0.00 0.83 -0.07 0.00 -0.53 0.00 0.00 54.79 55.02 3dof n ASP 30 Cb 0.00 -0.36 -0.01 0.00 -0.64 0.00 0.00 41.12 40.11 3dof n ASP 30 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3dof h ILE 31 N 0.00 0.65 0.00 0.53 2.04 -0.59 -2.43 117.51 117.71 3dof h ILE 31 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3dof h ILE 31 Cb 0.03 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3dof h ILE 31 CO -0.07 0.00 -0.28 0.16 0.00 0.00 0.00 178.15 177.96 3dof h ILE 32 N -0.05 0.00 -0.02 -0.67 3.07 -1.60 -2.80 117.51 115.44 3dof h ILE 32 Ca 0.14 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 66.00 3dof h ILE 32 Cb 0.26 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 3dof h ILE 32 CO -0.32 0.00 -0.02 0.23 -1.05 0.00 0.00 178.15 177.00 3dof n MET 33 N -2.30 1.72 -2.83 0.16 2.81 0.25 -4.90 117.12 112.03 3dof n MET 33 Ca 0.04 -1.08 -0.33 0.00 -1.81 0.00 0.00 57.70 54.52 3dof n MET 33 Cb 0.45 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 31.41 3dof n MET 33 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3dof s ASP 34 N -2.03 6.98 0.00 7.83 -1.08 -0.93 -4.94 116.67 122.49 3dof s ASP 34 Ca 0.36 1.69 0.22 0.00 -0.52 0.00 0.00 52.55 54.30 3dof s ASP 34 Cb 0.21 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 40.26 3dof s ASP 34 CO 0.34 -0.32 1.72 0.47 0.52 0.00 0.00 175.17 177.90 3dof n ASP 35 N -0.49 0.00 0.12 -0.34 8.00 -1.26 -2.32 116.55 120.25 3dof n ASP 35 Ca 0.06 -0.05 0.02 0.00 0.71 0.00 0.00 54.79 55.53 3dof n ASP 35 Cb 0.54 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3dof n ASP 35 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3dof h GLU 36 N 0.00 0.00 -0.30 -1.24 4.81 -1.92 -3.14 114.58 112.79 3dof h GLU 36 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 3dof h GLU 36 Cb 0.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3dof h GLU 36 CO 0.00 0.48 -0.28 0.35 -0.73 0.00 0.00 179.01 178.83 3dof h PHE 37 N 0.00 0.71 -0.16 0.92 3.57 -1.69 -2.80 116.94 117.49 3dof h PHE 37 Ca -0.03 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 3dof h PHE 37 Cb 1.42 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 3dof h PHE 37 CO 0.00 0.84 -0.03 1.96 -2.23 0.00 0.00 178.31 178.85 3dof h GLN 38 N 0.54 0.23 0.57 1.11 7.50 -1.63 -3.03 115.11 120.39 3dof h GLN 38 Ca 0.07 -0.03 -0.03 0.00 0.50 0.00 0.00 58.65 59.16 3dof h GLN 38 Cb 0.76 -0.04 0.01 0.00 0.05 0.00 0.00 27.48 28.26 3dof h GLN 38 CO 0.06 0.27 -0.27 -0.07 -1.50 0.00 0.00 178.83 177.32 3dof h LEU 39 N 0.22 -0.64 -1.47 1.46 4.07 -1.45 0.10 115.31 117.60 3dof h LEU 39 Ca 0.05 0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.20 3dof h LEU 39 Cb 0.20 0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.04 3dof h LEU 39 CO 0.01 -0.37 0.55 0.17 -1.08 0.00 0.00 178.44 177.72 3dof h LEU 40 N -0.95 0.47 0.77 1.67 8.10 -1.59 0.81 115.31 124.60 3dof h LEU 40 Ca -0.08 0.03 -0.04 0.00 0.11 0.00 0.00 57.88 57.91 3dof h LEU 40 Cb 0.58 -0.06 0.01 0.00 -0.44 0.00 0.00 40.66 40.75 3dof h LEU 40 CO 0.13 0.23 -0.37 1.56 -4.11 0.00 0.00 178.44 175.88 3dof h GLN 41 N 0.49 -0.99 -0.86 0.17 4.20 -1.57 -0.06 115.11 116.49 3dof h GLN 41 Ca 0.42 0.07 0.16 0.00 0.06 0.00 0.00 58.65 59.36 3dof h GLN 41 Cb 0.90 0.23 -0.16 0.00 0.30 0.00 0.00 27.48 28.75 3dof h GLN 41 CO -0.16 -0.66 -0.27 -0.09 -0.67 0.00 0.00 178.83 176.98 3dof h ARG 42 N -1.26 -0.02 -0.62 1.46 2.43 0.10 0.20 114.38 116.67 3dof h ARG 42 Ca -0.11 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.99 3dof h ARG 42 Cb 0.79 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 3dof h ARG 42 CO 0.17 -0.01 0.08 -0.91 -1.51 0.00 0.00 179.97 177.79 3dof h ASN 43 N -0.02 0.98 0.03 -3.80 -0.26 0.57 0.20 115.58 113.28 3dof h ASN 43 Ca 0.38 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.89 3dof h ASN 43 Cb 0.62 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 3dof h ASN 43 CO -0.89 0.99 -0.01 0.15 -1.06 0.00 0.00 177.43 176.60 3dof h PHE 44 N 0.96 -0.04 -0.40 1.19 3.57 0.01 -2.89 116.94 119.34 3dof h PHE 44 Ca 0.19 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.80 3dof h PHE 44 Cb 0.44 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3dof h PHE 44 CO 0.03 0.56 0.30 0.52 -2.23 0.00 0.00 178.31 177.49 3dof h MET 45 N -0.67 0.00 -0.13 1.11 2.86 -0.67 -2.88 114.93 114.55 3dof h MET 45 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dof h MET 45 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3dof h MET 45 CO 0.01 0.00 0.00 -3.47 1.06 0.00 0.00 176.91 174.51 3dof n ASP 46 N -4.33 0.13 0.00 1.22 2.03 0.69 -2.27 116.55 114.02 3dof n ASP 46 Ca 0.07 -1.44 0.00 0.00 0.52 0.00 0.00 54.79 53.94 3dof n ASP 46 Cb 0.49 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 3dof n ASP 46 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3dof n LYS 47 N -0.38 2.03 -3.36 -0.67 2.85 -1.09 -4.78 118.16 112.76 3dof n LYS 47 Ca 0.00 -0.10 -0.26 0.00 -1.05 0.00 0.00 58.31 56.90 3dof n LYS 47 Cb 0.03 -0.45 -0.09 0.00 -0.65 0.00 0.00 35.03 33.87 3dof n LYS 47 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3dof n TYR 48 N -0.32 -0.35 -0.01 5.58 4.01 -0.96 -4.87 117.16 120.25 3dof n TYR 48 Ca 0.00 -3.48 -0.09 0.00 -0.16 0.00 0.00 57.90 54.18 3dof n TYR 48 Cb 0.05 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.00 3dof n TYR 48 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3dof h TYR 49 N 5.05 -0.09 -0.71 -0.72 -1.99 -1.84 -3.39 116.97 113.28 3dof h TYR 49 Ca 0.20 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.01 3dof h TYR 49 Cb 0.88 0.03 -0.10 0.00 2.00 0.00 0.00 36.73 39.54 3dof h TYR 49 CO 0.34 0.38 -0.35 1.28 -0.00 0.00 0.00 178.16 179.81 3dof n LEU 50 N -4.79 -0.60 -2.17 3.88 4.32 -1.26 -2.58 117.00 113.78 3dof n LEU 50 Ca -0.06 1.25 -0.21 0.00 -0.02 0.00 0.00 56.01 56.96 3dof n LEU 50 Cb 0.25 -0.22 -0.02 0.00 -1.62 0.00 0.00 43.42 41.81 3dof n LEU 50 CO 0.20 -1.07 1.41 -0.62 -1.22 0.00 0.00 177.39 176.09 3dof n GLU 51 N -4.96 2.09 -3.50 3.23 1.02 -1.26 -4.64 120.64 112.62 3dof n GLU 51 Ca 0.04 -1.89 -0.29 0.00 -0.02 0.00 0.00 57.16 55.01 3dof n GLU 51 Cb 0.23 -1.88 -0.13 0.00 -0.02 0.00 0.00 31.44 29.65 3dof n GLU 51 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3dof s PHE 52 N -1.60 0.78 0.31 -0.32 0.08 -1.07 -4.97 117.98 111.19 3dof s PHE 52 Ca 0.46 -1.58 -0.28 0.00 0.12 0.00 0.00 56.93 55.65 3dof s PHE 52 Cb 0.31 -1.00 -0.09 0.00 -0.57 0.00 0.00 43.02 41.66 3dof s PHE 52 CO -0.11 -0.83 1.07 -1.21 -0.10 0.00 0.00 175.22 174.04 3dof s GLU 53 N 1.18 4.53 -1.31 0.44 0.41 -1.26 -4.94 118.70 117.74 3dof s GLU 53 Ca 0.16 1.68 -0.06 0.00 -0.41 0.00 0.00 54.97 56.35 3dof s GLU 53 Cb -0.22 -3.01 0.07 0.00 -1.78 0.00 0.00 34.13 29.19 3dof s GLU 53 CO -0.05 0.14 2.55 -3.47 -0.49 0.00 0.00 175.26 173.95 3dof n ASP 54 N 0.85 8.06 -4.31 -0.19 -0.08 -1.26 -4.89 116.55 114.73 3dof n ASP 54 Ca 0.01 -3.02 -0.17 0.00 -1.51 0.00 0.00 54.79 50.10 3dof n ASP 54 Cb 0.46 -1.40 -0.10 0.00 2.34 0.00 0.00 41.12 42.43 3dof n ASP 54 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3dof s THR 55 N -0.50 1.53 0.31 5.18 -4.23 -1.26 -5.06 115.64 111.62 3dof s THR 55 Ca 0.58 -2.16 0.14 0.00 -1.18 0.00 0.00 61.69 59.07 3dof s THR 55 Cb 0.20 -1.97 0.07 0.00 1.34 0.00 0.00 72.50 72.14 3dof s THR 55 CO -0.09 -0.65 1.76 1.05 -0.54 0.00 0.00 174.62 176.14 3dof h GLU 56 N 2.64 0.00 -6.40 3.99 4.11 -2.06 -3.42 114.58 113.44 3dof h GLU 56 Ca -0.37 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.51 3dof h GLU 56 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3dof h GLU 56 CO 0.63 0.43 0.51 -2.00 0.07 0.00 0.00 179.01 178.65 3dof s GLU 57 N -3.91 4.47 0.10 1.06 2.12 -1.26 -5.03 118.70 116.24 3dof s GLU 57 Ca -0.02 1.57 -0.17 0.00 0.36 0.00 0.00 54.97 56.72 3dof s GLU 57 Cb 0.13 -3.45 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 3dof s GLU 57 CO 0.72 -0.22 0.55 -0.80 -0.54 0.00 0.00 175.26 174.97 3dof s ASN 58 N 1.12 6.94 0.28 -1.70 0.01 -1.26 -5.02 114.94 115.31 3dof s ASN 58 Ca 0.54 1.16 -0.29 0.00 -0.71 0.00 0.00 52.86 53.56 3dof s ASN 58 Cb -0.24 -2.32 -0.10 0.00 0.41 0.00 0.00 41.25 39.00 3dof s ASN 58 CO 0.26 0.20 1.18 -0.54 -1.51 0.00 0.00 177.10 176.69 3dof s LYS 59 N -1.49 4.53 0.63 -0.60 1.02 -1.26 -4.91 119.74 117.66 3dof s LYS 59 Ca 0.33 1.94 0.28 0.00 0.02 0.00 0.00 55.97 58.54 3dof s LYS 59 Cb -0.17 -3.16 1.45 0.00 -0.52 0.00 0.00 37.83 35.42 3dof s LYS 59 CO 0.19 0.04 1.84 -0.07 -0.92 0.00 0.00 175.35 176.43 3dof h LEU 60 N 3.92 0.00 -0.97 3.17 -0.00 -2.03 -0.34 115.31 119.06 3dof h LEU 60 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 3dof h LEU 60 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 3dof h LEU 60 CO 0.68 0.00 -0.03 2.30 -0.00 0.00 0.00 178.44 181.39 3dof n ILE 61 N -3.28 0.00 -0.04 1.22 -0.00 -1.26 -3.92 119.36 112.08 3dof n ILE 61 Ca 0.04 -0.25 -0.08 0.00 -0.00 0.00 0.00 62.75 62.46 3dof n ILE 61 Cb 0.59 0.55 0.10 0.00 -0.00 0.00 0.00 39.64 40.88 3dof n ILE 61 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 3dof h TYR 62 N 2.37 0.76 0.02 4.28 0.99 -1.43 -3.19 116.97 120.77 3dof h TYR 62 Ca 0.00 -0.20 -0.00 0.00 2.00 0.00 0.00 58.73 60.53 3dof h TYR 62 Cb 0.53 -0.17 0.00 0.00 1.00 0.00 0.00 36.73 38.09 3dof h TYR 62 CO 0.00 0.90 -0.01 1.15 -0.00 0.00 0.00 178.16 180.20 3dof h THR 63 N 0.55 1.10 -0.10 -2.88 2.02 -1.75 0.19 112.91 112.05 3dof h THR 63 Ca 0.06 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 3dof h THR 63 Cb 0.84 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3dof h THR 63 CO 0.07 0.09 -0.06 1.55 0.37 0.00 0.00 175.52 177.54 3dof h PRO 64 N -0.18 0.14 -0.24 6.66 0.13 -1.78 -0.94 132.00 135.78 3dof h PRO 64 Ca -0.00 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.91 3dof h PRO 64 Cb 0.17 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.28 3dof h PRO 64 CO 0.00 0.21 -0.61 0.82 -0.23 0.00 0.00 178.00 178.20 3dof h ILE 65 N 0.14 1.28 -0.95 -3.56 2.04 -1.50 -2.80 117.51 112.15 3dof h ILE 65 Ca 0.03 -1.80 0.01 0.00 1.00 0.00 0.00 64.86 64.10 3dof h ILE 65 Cb 0.20 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 3dof h ILE 65 CO 0.01 0.58 0.63 0.15 0.00 0.00 0.00 178.15 179.52 3dof h PHE 66 N 0.61 1.20 -0.04 1.37 3.57 -0.02 -0.31 116.94 123.33 3dof h PHE 66 Ca -0.01 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 3dof h PHE 66 Cb 1.23 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3dof h PHE 66 CO 0.08 0.76 -0.63 -0.91 -2.23 0.00 0.00 178.31 175.38 3dof h ASN 67 N 1.29 0.15 -0.23 0.41 2.35 -1.21 -2.11 115.58 116.23 3dof h ASN 67 Ca 0.35 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.87 3dof h ASN 67 Cb -0.15 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3dof h ASN 67 CO -0.08 0.74 -0.34 -0.08 -1.65 0.00 0.00 177.43 176.03 3dof h GLU 68 N 0.10 0.75 -0.07 0.81 4.81 -1.18 -2.39 114.58 117.40 3dof h GLU 68 Ca -0.01 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3dof h GLU 68 Cb 1.13 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 3dof h GLU 68 CO 0.09 0.98 0.05 -0.92 -0.73 0.00 0.00 179.01 178.48 3dof h TYR 69 N 0.63 0.09 -0.19 0.92 3.20 -0.83 -2.17 116.97 118.63 3dof h TYR 69 Ca 0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3dof h TYR 69 Cb 0.87 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 3dof h TYR 69 CO 0.05 0.07 0.06 0.82 -1.64 0.00 0.00 178.16 177.52 3dof h ILE 70 N 0.09 1.18 0.00 1.81 2.04 -1.40 -1.14 117.51 120.08 3dof h ILE 70 Ca 0.03 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3dof h ILE 70 Cb 0.00 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3dof h ILE 70 CO -0.01 0.18 0.00 -1.20 0.00 0.00 0.00 178.15 177.12 3dof n SER 71 N -4.82 0.00 -0.10 1.72 7.64 -0.90 -1.81 113.62 115.35 3dof n SER 71 Ca -0.04 -0.73 -0.14 0.00 1.01 0.00 0.00 58.87 58.97 3dof n SER 71 Cb 0.14 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.25 3dof n SER 71 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3dof n LEU 72 N -0.92 2.96 0.34 -3.43 7.94 -0.82 -3.65 117.00 119.43 3dof n LEU 72 Ca 0.13 -0.11 -0.17 0.00 -1.11 0.00 0.00 56.01 54.74 3dof n LEU 72 Cb 0.06 -0.70 -0.09 0.00 0.53 0.00 0.00 43.42 43.22 3dof n LEU 72 CO 0.09 0.84 0.65 0.58 -1.11 0.00 0.00 177.39 178.45 3dof h VAL 73 N 0.00 0.34 0.00 1.96 2.07 -0.84 0.63 116.25 120.42 3dof h VAL 73 Ca -0.45 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 3dof h VAL 73 Cb 1.70 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3dof h VAL 73 CO -0.07 0.00 -0.41 1.05 0.02 0.00 0.00 177.57 178.16 3dof h GLU 74 N -0.86 0.00 -0.13 1.57 4.11 -1.62 0.56 114.58 118.21 3dof h GLU 74 Ca -0.08 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.24 3dof h GLU 74 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3dof h GLU 74 CO 0.11 0.41 -0.42 -0.22 0.07 0.00 0.00 179.01 178.97 3dof h LYS 75 N 0.00 0.30 -0.06 1.06 3.64 -1.60 -2.72 116.57 117.20 3dof h LYS 75 Ca -0.00 -0.15 -0.17 0.00 -1.27 0.00 0.00 60.65 59.06 3dof h LYS 75 Cb 0.84 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.67 3dof h LYS 75 CO 0.05 0.68 -0.61 -0.92 -2.27 0.00 0.00 179.45 176.38 3dof h TYR 76 N 0.25 0.72 -0.86 1.91 3.20 -0.42 -3.17 116.97 118.61 3dof h TYR 76 Ca 0.02 -0.35 0.07 0.00 3.14 0.00 0.00 58.73 61.61 3dof h TYR 76 Cb 0.85 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.96 3dof h TYR 76 CO 0.02 1.16 0.52 0.82 -1.64 0.00 0.00 178.16 179.04 3dof h ILE 77 N 0.08 1.01 0.01 1.81 2.04 -0.81 -1.72 117.51 119.94 3dof h ILE 77 Ca -0.06 -0.32 -0.20 0.00 1.00 0.00 0.00 64.86 65.28 3dof h ILE 77 Cb 1.28 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3dof h ILE 77 CO 0.12 0.17 -0.92 1.05 0.00 0.00 0.00 178.15 178.57 3dof h GLU 78 N 0.93 0.09 -0.03 2.37 4.11 -1.61 -0.81 114.58 119.63 3dof h GLU 78 Ca 0.39 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.70 3dof h GLU 78 Cb 0.23 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3dof h GLU 78 CO -0.19 0.94 0.00 -0.85 0.07 0.00 0.00 179.01 178.98 3dof n GLU 79 N -3.54 1.16 -0.05 1.06 0.28 -1.00 -3.04 120.64 115.51 3dof n GLU 79 Ca -0.02 -0.24 -0.05 0.00 -0.16 0.00 0.00 57.16 56.69 3dof n GLU 79 Cb 0.85 -1.33 -0.06 0.00 1.43 0.00 0.00 31.44 32.33 3dof n GLU 79 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3dof n GLN 80 N -0.56 1.79 0.26 3.44 -0.06 -0.68 -4.06 117.38 117.50 3dof n GLN 80 Ca 0.15 0.02 0.13 0.00 -2.00 0.00 0.00 57.00 55.30 3dof n GLN 80 Cb 0.12 -1.21 0.72 0.00 -4.06 0.00 0.00 30.24 25.81 3dof n GLN 80 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 3dof h LEU 81 N 0.00 0.00 0.00 1.69 3.38 -1.11 -2.83 115.31 116.44 3dof h LEU 81 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3dof h LEU 81 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3dof h LEU 81 CO -0.01 0.12 -1.19 0.00 0.09 0.00 0.00 178.44 177.45 3dof n LEU 82 N -3.63 0.79 0.00 1.67 -0.00 -1.17 -0.75 117.00 113.91 3dof n LEU 82 Ca -0.02 -0.40 0.06 0.00 -0.00 0.00 0.00 56.01 55.65 3dof n LEU 82 Cb 0.24 0.00 0.35 0.00 -0.00 0.00 0.00 43.42 44.01 3dof n LEU 82 CO 0.30 0.20 0.57 0.00 -0.00 0.00 0.00 177.39 178.46 3dof n GLN 83 N -1.65 0.53 0.00 1.47 6.02 -1.07 -3.14 117.38 119.55 3dof n GLN 83 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3dof n GLN 83 Cb 0.37 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.29 3dof n GLN 83 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3dof n ARG 84 N -0.84 0.00 -3.71 -1.09 1.74 -1.24 -4.95 116.66 106.56 3dof n ARG 84 Ca 0.09 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.83 3dof n ARG 84 Cb 0.04 -0.32 -0.08 0.00 -1.02 0.00 0.00 32.46 31.08 3dof n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dof s ILE 85 N -1.40 3.90 0.90 0.55 1.01 0.07 -5.09 121.20 121.15 3dof s ILE 85 Ca 0.00 -3.80 -0.11 0.00 0.00 0.00 0.00 60.65 56.74 3dof s ILE 85 Cb 0.00 -3.47 0.13 0.00 0.01 0.00 0.00 42.46 39.13 3dof s ILE 85 CO 0.00 -1.03 1.12 -2.65 0.00 0.00 0.00 174.94 172.38 3dof n PRO 86 N 2.46 -0.33 -1.70 2.79 -0.02 -1.19 -2.55 135.00 134.46 3dof n PRO 86 Ca 0.18 -0.03 -0.15 0.00 -2.02 0.00 0.00 63.50 61.49 3dof n PRO 86 Cb 0.37 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3dof n PRO 86 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dof n GLU 87 N -3.95 -1.09 -3.36 -0.52 -0.58 -1.26 -5.01 120.64 104.87 3dof n GLU 87 Ca 0.12 0.93 -0.38 0.00 -0.42 0.00 0.00 57.16 57.42 3dof n GLU 87 Cb 0.52 -5.13 -0.06 0.00 -0.57 0.00 0.00 31.44 26.20 3dof n GLU 87 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3dof s PHE 88 N -2.61 3.55 -0.26 -0.32 5.36 -1.06 -5.07 117.98 117.57 3dof s PHE 88 Ca 0.00 0.89 -0.00 0.00 -0.96 0.00 0.00 56.93 56.86 3dof s PHE 88 Cb 0.00 -2.49 0.04 0.00 -0.34 0.00 0.00 43.02 40.23 3dof s PHE 88 CO 0.00 0.26 -0.07 1.21 -1.46 0.00 0.00 175.22 175.16 3dof s ASN 89 N 0.29 4.39 0.19 6.13 3.84 -1.26 -4.96 114.94 123.55 3dof s ASN 89 Ca 0.25 -1.08 -0.09 0.00 0.21 0.00 0.00 52.86 52.15 3dof s ASN 89 Cb -0.15 -1.63 0.09 0.00 -0.55 0.00 0.00 41.25 39.01 3dof s ASN 89 CO 0.10 -0.16 1.70 -0.03 -2.79 0.00 0.00 177.10 175.92 3dof h MET 90 N 7.95 1.07 -0.09 0.43 1.85 -1.97 0.26 114.93 124.43 3dof h MET 90 Ca -0.28 -0.27 -0.08 0.00 -0.61 0.00 0.00 59.70 58.47 3dof h MET 90 Cb 1.08 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.97 3dof h MET 90 CO 0.54 0.97 -0.30 0.00 -0.40 0.00 0.00 176.91 177.72 3dof h ALA 91 N 1.06 1.33 0.16 0.39 0.00 -1.99 0.19 119.26 120.40 3dof h ALA 91 Ca 0.21 -0.32 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 3dof h ALA 91 Cb 0.39 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.13 3dof h ALA 91 CO 0.01 0.47 -1.29 0.00 0.00 0.00 0.00 179.25 178.43 3dof h ALA 92 N 1.55 -0.05 0.24 0.00 0.00 -1.92 -2.84 119.26 116.24 3dof h ALA 92 Ca 0.02 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 3dof h ALA 92 Cb 0.61 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3dof h ALA 92 CO 0.04 0.67 -0.21 0.35 0.00 0.00 0.00 179.25 180.11 3dof h PHE 93 N 0.22 -0.55 0.08 0.00 3.57 -0.25 -3.13 116.94 116.88 3dof h PHE 93 Ca -0.21 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.29 3dof h PHE 93 Cb 1.97 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 40.92 3dof h PHE 93 CO 0.12 -0.32 -0.09 1.79 -2.23 0.00 0.00 178.31 177.58 3dof h THR 94 N -0.47 0.00 -0.79 4.41 1.35 -0.73 -1.68 112.91 115.00 3dof h THR 94 Ca -0.01 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.93 3dof h THR 94 Cb 0.43 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.75 3dof h THR 94 CO -0.03 0.00 -0.44 0.41 -0.25 0.00 0.00 175.52 175.21 3dof n THR 95 N -2.86 -0.52 0.38 6.82 -1.04 -1.07 0.26 114.28 116.26 3dof n THR 95 Ca -0.02 1.91 -0.17 0.00 -2.04 0.00 0.00 64.05 63.73 3dof n THR 95 Cb 0.08 -2.39 -0.08 0.00 -1.82 0.00 0.00 70.33 66.12 3dof n THR 95 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3dof h THR 96 N 0.00 0.15 -0.77 12.58 2.02 -1.57 -2.77 112.91 122.55 3dof h THR 96 Ca 0.15 -0.20 0.18 0.00 0.77 0.00 0.00 66.41 67.31 3dof h THR 96 Cb 0.35 0.19 -0.13 0.00 -1.74 0.00 0.00 68.15 66.82 3dof h THR 96 CO -0.75 0.01 0.09 0.25 0.37 0.00 0.00 175.52 175.49 3dof h LEU 97 N -1.15 -0.19 0.00 2.58 5.85 -0.35 0.54 115.31 122.59 3dof h LEU 97 Ca -0.10 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3dof h LEU 97 Cb 0.78 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3dof h LEU 97 CO 0.16 -0.14 0.00 0.00 -0.34 0.00 0.00 178.44 178.13 3dof n GLN 98 N -5.27 0.29 0.11 1.25 6.02 0.74 -4.30 117.38 116.20 3dof n GLN 98 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3dof n GLN 98 Cb 0.50 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.71 3dof n GLN 98 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dof n HIS 99 N -0.56 -3.42 -0.10 1.08 8.25 0.40 -4.99 115.22 115.88 3dof n HIS 99 Ca 0.01 0.72 -0.00 0.00 -0.26 0.00 0.00 57.72 58.19 3dof n HIS 99 Cb 0.00 2.06 -0.01 0.00 1.12 0.00 0.00 29.99 33.17 3dof n HIS 99 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dof n HIS 100 N -2.90 0.00 -2.68 4.41 8.25 0.16 -3.51 115.22 118.96 3dof n HIS 100 Ca 0.00 -0.19 -0.03 0.00 -0.26 0.00 0.00 57.72 57.24 3dof n HIS 100 Cb 0.00 -0.35 0.03 0.00 1.12 0.00 0.00 29.99 30.79 3dof n HIS 100 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3dof s LYS 101 N 1.84 0.24 0.00 -0.41 -2.85 -1.26 -4.89 119.74 112.42 3dof s LYS 101 Ca 0.02 -0.24 0.00 0.00 -1.00 0.00 0.00 55.97 54.75 3dof s LYS 101 Cb 0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.77 3dof s LYS 101 CO 0.00 -0.30 0.47 -3.47 0.10 0.00 0.00 175.35 172.15 3dof n ASP 102 N 2.61 0.79 -1.65 0.03 4.64 -1.23 -2.78 116.55 118.95 3dof n ASP 102 Ca 0.12 -1.73 0.00 0.00 -1.38 0.00 0.00 54.79 51.80 3dof n ASP 102 Cb 0.65 -0.40 0.00 0.00 -1.04 0.00 0.00 41.12 40.33 3dof n ASP 102 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 3dof n GLU 103 N 0.02 0.56 0.00 -0.67 2.13 -1.26 -4.62 120.64 116.80 3dof n GLU 103 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3dof n GLU 103 Cb 0.20 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 30.69 3dof n GLU 103 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3dof n VAL 104 N 1.63 0.00 0.00 6.31 0.31 -1.12 -4.78 118.33 120.68 3dof n VAL 104 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3dof n VAL 104 Cb 0.28 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 3dof n VAL 104 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dof n ALA 105 N -3.00 0.00 -1.16 3.52 0.00 -1.26 -4.86 120.51 113.75 3dof n ALA 105 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3dof n ALA 105 Cb 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 19.45 19.38 3dof n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dof s GLY 106 N -1.48 1.67 -0.46 0.00 0.00 -1.26 -4.83 107.32 100.96 3dof s GLY 106 Ca 0.00 0.29 -0.19 0.00 0.00 0.00 0.00 44.72 44.82 3dof s GLY 106 CO 0.00 0.66 1.73 1.34 0.00 0.00 0.00 173.10 176.83 3dof n ASP 107 N -3.68 2.14 0.03 1.64 2.03 -1.26 -3.23 116.55 114.21 3dof n ASP 107 Ca 0.09 -2.47 0.00 0.00 0.52 0.00 0.00 54.79 52.93 3dof n ASP 107 Cb 0.53 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 3dof n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dof n ILE 108 N 5.83 0.00 0.02 5.18 0.13 -1.26 -4.84 119.36 124.42 3dof n ILE 108 Ca 0.41 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 62.09 3dof n ILE 108 Cb 0.30 -0.28 -0.09 0.00 -0.84 0.00 0.00 39.64 38.74 3dof n ILE 108 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 3dof n PHE 109 N -2.65 0.72 -0.24 9.51 0.99 -1.20 -3.20 117.46 121.40 3dof n PHE 109 Ca 0.00 0.23 0.20 0.00 -0.00 0.00 0.00 57.45 57.88 3dof n PHE 109 Cb 0.00 -0.97 0.53 0.00 -1.00 0.00 0.00 39.48 38.05 3dof n PHE 109 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3dof h ASP 110 N 0.00 0.37 -0.26 4.37 3.45 -1.90 0.65 116.42 123.10 3dof h ASP 110 Ca -0.15 0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.26 3dof h ASP 110 Cb 1.46 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 40.20 3dof h ASP 110 CO 0.03 0.14 -0.20 0.24 -1.57 0.00 0.00 179.24 177.88 3dof h MET 111 N 0.37 0.59 0.00 3.56 2.86 -1.87 -3.32 114.93 117.12 3dof h MET 111 Ca 0.47 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 3dof h MET 111 Cb 1.24 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 3dof h MET 111 CO -0.17 0.88 -0.20 1.25 1.06 0.00 0.00 176.91 179.73 3dof h LEU 112 N 0.31 0.00 -2.26 1.22 5.85 0.11 -2.52 115.31 118.03 3dof h LEU 112 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3dof h LEU 112 Cb 0.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3dof h LEU 112 CO 0.05 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.35 3dof n LEU 113 N -3.35 3.31 0.24 2.25 -0.00 0.12 -3.97 117.00 115.59 3dof n LEU 113 Ca 0.00 -1.66 0.08 0.00 -0.00 0.00 0.00 56.01 54.44 3dof n LEU 113 Cb 0.43 -0.42 0.60 0.00 -0.00 0.00 0.00 43.42 44.03 3dof n LEU 113 CO 0.33 0.79 0.95 0.74 -0.00 0.00 0.00 177.39 180.20 3dof h THR 114 N 3.48 0.95 0.00 1.47 2.02 -1.54 -2.37 112.91 116.91 3dof h THR 114 Ca 0.00 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3dof h THR 114 Cb 0.86 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3dof h THR 114 CO 0.03 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.54 3dof n PHE 115 N -4.16 0.59 0.13 3.16 3.72 -1.25 -2.61 117.46 117.05 3dof n PHE 115 Ca -0.02 0.19 0.08 0.00 -0.05 0.00 0.00 57.45 57.64 3dof n PHE 115 Cb 0.21 -0.80 0.04 0.00 -0.94 0.00 0.00 39.48 37.99 3dof n PHE 115 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3dof h THR 116 N 0.00 0.23 -2.72 4.37 1.35 -1.69 -3.45 112.91 111.00 3dof h THR 116 Ca 0.00 -1.37 -0.56 0.00 -0.55 0.00 0.00 66.41 63.93 3dof h THR 116 Cb 0.58 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.87 3dof h THR 116 CO 0.00 0.13 1.03 -0.62 -0.25 0.00 0.00 175.52 175.81 3dof s ASP 117 N -5.86 6.74 0.01 5.36 -1.08 -1.07 -4.93 116.67 115.84 3dof s ASP 117 Ca 0.02 2.02 -0.19 0.00 -0.52 0.00 0.00 52.55 53.88 3dof s ASP 117 Cb 0.08 -2.53 -0.28 0.00 -1.46 0.00 0.00 42.92 38.72 3dof s ASP 117 CO 0.75 -0.89 1.03 0.15 0.52 0.00 0.00 175.17 176.73 3dof h PHE 118 N 9.17 0.74 -0.29 -5.34 3.57 -1.87 -3.00 116.94 119.92 3dof h PHE 118 Ca -0.35 -0.47 -0.11 0.00 3.53 0.00 0.00 57.97 60.58 3dof h PHE 118 Cb 1.15 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3dof h PHE 118 CO 0.86 1.32 -0.27 -0.07 -2.23 0.00 0.00 178.31 177.92 3dof h LEU 119 N -0.05 0.59 -1.40 0.59 4.07 -1.97 0.10 115.31 117.25 3dof h LEU 119 Ca -0.14 -0.22 -0.06 0.00 0.08 0.00 0.00 57.88 57.54 3dof h LEU 119 Cb 1.64 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.21 3dof h LEU 119 CO 0.17 0.85 -0.28 0.00 -1.08 0.00 0.00 178.44 178.10 3dof h ALA 120 N 1.20 1.26 -0.01 1.53 0.00 -1.91 -0.63 119.26 120.70 3dof h ALA 120 Ca 0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3dof h ALA 120 Cb 0.74 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3dof h ALA 120 CO 0.06 0.35 -0.38 0.35 0.00 0.00 0.00 179.25 179.62 3dof h PHE 121 N 0.00 0.40 -0.61 0.00 3.57 -1.23 -2.82 116.94 116.25 3dof h PHE 121 Ca -0.00 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.30 3dof h PHE 121 Cb 0.60 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 3dof h PHE 121 CO 0.00 1.01 0.39 -0.22 -2.23 0.00 0.00 178.31 177.27 3dof h LYS 122 N -0.33 0.76 -0.18 1.11 3.64 -0.66 -1.21 116.57 119.70 3dof h LYS 122 Ca -0.05 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3dof h LYS 122 Cb 1.12 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3dof h LYS 122 CO 0.08 0.50 0.03 1.49 -2.27 0.00 0.00 179.45 179.28 3dof h GLU 123 N 0.78 0.30 0.00 1.90 4.22 -1.21 -0.40 114.58 120.18 3dof h GLU 123 Ca 0.23 -0.08 -0.05 0.00 0.08 0.00 0.00 59.36 59.54 3dof h GLU 123 Cb -0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3dof h GLU 123 CO -0.07 0.46 -0.25 0.00 -2.18 0.00 0.00 179.01 176.96 3dof h MET 124 N 0.10 0.00 0.01 1.92 -0.00 -1.43 -2.03 114.93 113.51 3dof h MET 124 Ca 0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.55 3dof h MET 124 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.88 3dof h MET 124 CO 0.00 0.25 -0.92 0.35 -0.00 0.00 0.00 176.91 176.59 3dof h PHE 125 N 0.00 0.24 -0.15 -0.10 3.04 -0.93 -3.05 116.94 116.00 3dof h PHE 125 Ca -0.00 -0.14 -0.15 0.00 3.98 0.00 0.00 57.97 61.65 3dof h PHE 125 Cb 0.62 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 3dof h PHE 125 CO 0.00 0.99 -0.55 1.25 -2.02 0.00 0.00 178.31 177.98 3dof h LEU 126 N 0.08 0.49 -1.81 0.59 5.85 -0.75 -2.90 115.31 116.85 3dof h LEU 126 Ca -0.04 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3dof h LEU 126 Cb 1.57 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 3dof h LEU 126 CO 0.14 0.94 -0.14 0.44 -0.34 0.00 0.00 178.44 179.47 3dof h ASP 127 N 0.34 0.00 0.09 1.25 5.19 -1.33 -1.99 116.42 119.97 3dof h ASP 127 Ca 0.01 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 3dof h ASP 127 Cb 1.06 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.59 3dof h ASP 127 CO 0.10 0.14 -0.77 0.22 -3.12 0.00 0.00 179.24 175.80 3dof h TYR 128 N 0.00 0.61 -0.39 4.55 3.20 -1.41 -2.45 116.97 121.08 3dof h TYR 128 Ca -0.00 -0.39 -0.08 0.00 3.14 0.00 0.00 58.73 61.40 3dof h TYR 128 Cb 0.27 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3dof h TYR 128 CO 0.00 1.26 -0.09 -0.09 -1.64 0.00 0.00 178.16 177.61 3dof h ARG 129 N -0.22 0.66 -0.55 1.82 2.43 -1.48 -2.66 114.38 114.39 3dof h ARG 129 Ca -0.12 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 3dof h ARG 129 Cb 1.54 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 31.00 3dof h ARG 129 CO 0.15 0.74 0.13 0.00 -1.51 0.00 0.00 179.97 179.48 3dof h ALA 130 N 1.30 1.20 -0.36 2.80 0.00 -1.43 -3.18 119.26 119.59 3dof h ALA 130 Ca 0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3dof h ALA 130 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3dof h ALA 130 CO 0.03 0.55 -0.03 1.49 0.00 0.00 0.00 179.25 181.29 3dof h GLU 131 N 0.82 0.66 -0.80 0.00 4.81 -1.09 -3.03 114.58 115.94 3dof h GLU 131 Ca 0.18 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3dof h GLU 131 Cb 0.30 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3dof h GLU 131 CO -0.00 0.78 0.05 1.63 -0.73 0.00 0.00 179.01 180.75 3dof n LYS 132 N -4.46 2.98 0.00 1.92 5.02 -1.10 -5.11 118.16 117.41 3dof n LYS 132 Ca -0.02 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 3dof n LYS 132 Cb 0.30 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 3dof n LYS 132 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27