#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3p s SER 39 N 0.00 6.84 0.58 2.55 1.04 -1.26 -5.04 113.70 118.41 3g3p s SER 39 Ca 0.00 1.01 -0.00 0.00 0.48 0.00 0.00 55.95 57.44 3g3p s SER 39 Cb 0.00 -2.45 0.04 0.00 0.10 0.00 0.00 66.02 63.71 3g3p s SER 39 CO 0.00 -0.57 0.82 -0.76 0.98 0.00 0.00 173.24 173.71 3g3p s LEU 40 N 2.95 3.19 -0.04 2.42 1.43 -1.26 -4.54 118.68 122.83 3g3p s LEU 40 Ca 0.36 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 3g3p s LEU 40 Cb -0.15 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.17 3g3p s LEU 40 CO 0.08 -1.23 -0.06 -0.31 0.23 0.00 0.00 176.35 175.06 3g3p s TYR 41 N -2.86 0.83 0.08 0.29 1.51 0.44 -0.46 117.35 117.19 3g3p s TYR 41 Ca 0.58 -0.23 -0.18 0.00 -1.01 0.00 0.00 57.07 56.23 3g3p s TYR 41 Cb -0.10 -0.66 -0.07 0.00 -0.11 0.00 0.00 41.96 41.02 3g3p s TYR 41 CO 0.40 -0.15 0.55 -0.98 -1.11 0.00 0.00 175.55 174.26 3g3p s ARG 42 N 0.60 4.13 -0.18 -0.62 1.70 0.40 -1.26 118.95 123.71 3g3p s ARG 42 Ca -0.09 0.66 -0.09 0.00 -0.47 0.00 0.00 55.73 55.74 3g3p s ARG 42 Cb -0.12 -3.16 -0.05 0.00 -0.57 0.00 0.00 34.95 31.05 3g3p s ARG 42 CO 0.01 0.61 0.12 0.08 -1.08 0.00 0.00 175.30 175.04 3g3p s VAL 43 N -1.19 5.36 0.06 4.99 1.01 -0.26 -1.29 120.40 129.08 3g3p s VAL 43 Ca 0.31 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.55 3g3p s VAL 43 Cb -0.18 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 3g3p s VAL 43 CO 0.19 0.47 -0.26 -0.76 0.00 0.00 0.00 175.10 174.73 3g3p s LEU 44 N 0.11 2.19 -0.01 3.92 1.43 0.33 -0.40 118.68 126.25 3g3p s LEU 44 Ca 0.09 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3g3p s LEU 44 Cb -0.11 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 3g3p s LEU 44 CO -0.01 0.25 -0.14 -0.63 0.23 0.00 0.00 176.35 176.05 3g3p s ILE 45 N -0.84 3.10 0.04 -0.59 1.01 -0.73 -1.41 121.20 121.77 3g3p s ILE 45 Ca 0.12 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3g3p s ILE 45 Cb -0.10 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 3g3p s ILE 45 CO 0.03 0.47 0.13 -0.76 0.00 0.00 0.00 174.94 174.81 3g3p s LEU 46 N -1.09 4.08 0.52 2.97 2.01 -0.45 -1.66 118.68 125.05 3g3p s LEU 46 Ca 0.14 0.17 -0.20 0.00 0.01 0.00 0.00 54.13 54.25 3g3p s LEU 46 Cb -0.11 -2.58 -0.07 0.00 0.01 0.00 0.00 46.19 43.45 3g3p s LEU 46 CO 0.03 0.21 1.09 0.21 1.01 0.00 0.00 176.35 178.91 3g3p s ASN 47 N -2.17 5.99 0.23 2.29 2.47 -0.25 -4.39 114.94 119.11 3g3p s ASN 47 Ca 0.29 2.07 -0.11 0.00 0.42 0.00 0.00 52.86 55.53 3g3p s ASN 47 Cb -0.12 -2.57 -0.01 0.00 -1.45 0.00 0.00 41.25 37.10 3g3p s ASN 47 CO 0.21 -1.03 0.42 1.51 -3.72 0.00 0.00 177.10 174.49 3g3p s ASP 48 N -1.85 -0.06 0.00 -4.21 1.47 -1.26 -4.95 116.67 105.81 3g3p s ASP 48 Ca 0.70 -0.94 0.18 0.00 1.18 0.00 0.00 52.55 53.67 3g3p s ASP 48 Cb -0.21 0.55 0.52 0.00 -0.34 0.00 0.00 42.92 43.44 3g3p s ASP 48 CO 0.24 -1.07 1.42 0.47 0.68 0.00 0.00 175.17 176.90 3g3p n ASP 49 N -0.35 2.42 -0.04 2.11 8.00 -1.26 -4.37 116.55 123.07 3g3p n ASP 49 Ca -0.02 -1.91 -0.05 0.00 0.71 0.00 0.00 54.79 53.51 3g3p n ASP 49 Cb 0.62 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 3g3p n ASP 49 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3g3p n TYR 50 N 0.82 0.00 -2.22 1.24 4.01 -1.26 -5.01 117.16 114.74 3g3p n TYR 50 Ca 0.16 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.48 3g3p n TYR 50 Cb 0.41 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 3g3p n TYR 50 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3g3p s THR 51 N -2.14 3.71 0.41 -0.72 2.01 -1.26 -4.96 115.64 112.70 3g3p s THR 51 Ca -0.10 1.09 -0.26 0.00 0.31 0.00 0.00 61.69 62.73 3g3p s THR 51 Cb 0.03 -3.70 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 3g3p s THR 51 CO 0.16 -0.01 1.39 -2.84 -0.69 0.00 0.00 174.62 172.63 3g3p s PRO 52 N 2.49 3.90 0.25 4.92 0.02 -1.26 -4.91 135.00 140.42 3g3p s PRO 52 Ca 0.64 2.35 -0.03 0.00 0.02 0.00 0.00 61.00 63.99 3g3p s PRO 52 Cb -0.31 -2.78 0.49 0.00 0.02 0.00 0.00 34.50 31.92 3g3p s PRO 52 CO 0.26 -0.62 1.75 0.00 -0.33 0.00 0.00 177.00 178.07 3g3p h ALA 53 N 2.64 1.17 0.00 -1.55 0.00 -1.99 -1.53 119.26 118.00 3g3p h ALA 53 Ca -0.50 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3g3p h ALA 53 Cb 1.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3g3p h ALA 53 CO 0.62 -0.13 -0.25 0.93 0.00 0.00 0.00 179.25 180.43 3g3p h GLU 54 N 0.56 0.00 -0.18 0.00 5.08 -1.99 -1.70 114.58 116.35 3g3p h GLU 54 Ca 0.43 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.61 3g3p h GLU 54 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3g3p h GLU 54 CO -0.37 0.25 -0.65 0.35 -1.00 0.00 0.00 179.01 177.59 3g3p h PHE 55 N 0.00 0.86 -0.53 4.33 3.57 -1.65 -1.27 116.94 122.25 3g3p h PHE 55 Ca -0.00 -0.34 -0.04 0.00 3.53 0.00 0.00 57.97 61.12 3g3p h PHE 55 Cb 0.54 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3g3p h PHE 55 CO 0.00 1.13 0.19 0.28 -2.23 0.00 0.00 178.31 177.68 3g3p h VAL 56 N 0.48 1.23 -0.59 1.41 2.07 -1.11 0.28 116.25 120.02 3g3p h VAL 56 Ca -0.02 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3g3p h VAL 56 Cb 1.24 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3g3p h VAL 56 CO 0.13 0.27 0.39 0.58 0.02 0.00 0.00 177.57 178.96 3g3p h VAL 57 N 0.73 1.16 -0.39 2.57 2.07 -1.30 -1.32 116.25 119.77 3g3p h VAL 57 Ca 0.17 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.44 3g3p h VAL 57 Cb 0.24 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3g3p h VAL 57 CO -0.01 0.15 0.15 0.22 0.02 0.00 0.00 177.57 178.10 3g3p h TYR 58 N 0.80 0.27 -0.71 1.57 3.20 -0.83 -1.43 116.97 119.85 3g3p h TYR 58 Ca 0.22 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3g3p h TYR 58 Cb -0.08 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3g3p h TYR 58 CO -0.03 0.12 0.41 0.28 -1.64 0.00 0.00 178.16 177.29 3g3p h VAL 59 N 0.32 1.21 -0.44 1.81 2.07 -0.61 0.37 116.25 120.97 3g3p h VAL 59 Ca 0.17 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 3g3p h VAL 59 Cb 0.14 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3g3p h VAL 59 CO -0.17 0.23 -0.07 -0.07 0.02 0.00 0.00 177.57 177.52 3g3p h LEU 60 N 0.98 0.75 -0.22 2.57 3.38 -0.89 -0.41 115.31 121.47 3g3p h LEU 60 Ca 0.25 -0.20 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 3g3p h LEU 60 Cb 0.01 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.57 3g3p h LEU 60 CO -0.04 0.86 -0.82 -0.33 0.09 0.00 0.00 178.44 178.20 3g3p h GLU 61 N 0.71 0.61 0.11 1.13 5.08 -0.95 -2.36 114.58 118.91 3g3p h GLU 61 Ca 0.13 -0.53 -0.24 0.00 -1.00 0.00 0.00 59.36 57.71 3g3p h GLU 61 Cb 0.53 0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.93 3g3p h GLU 61 CO 0.03 1.15 -1.02 -0.09 -1.00 0.00 0.00 179.01 178.09 3g3p h ARG 62 N 0.40 0.49 0.00 2.33 9.65 -0.73 -3.30 114.38 123.23 3g3p h ARG 62 Ca -0.06 -0.68 0.00 0.00 -1.10 0.00 0.00 59.98 58.14 3g3p h ARG 62 Cb 1.43 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 30.24 3g3p h ARG 62 CO 0.16 1.29 -0.89 1.19 2.80 0.00 0.00 179.97 184.52 3g3p n PHE 63 N -3.96 0.00 -0.93 2.20 3.72 -0.18 -4.62 117.46 113.69 3g3p n PHE 63 Ca -0.13 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.30 3g3p n PHE 63 Cb 0.89 -0.09 0.05 0.00 -0.94 0.00 0.00 39.48 39.39 3g3p n PHE 63 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3g3p n PHE 64 N -1.49 0.00 -2.87 1.38 3.72 -0.92 -5.01 117.46 112.28 3g3p n PHE 64 Ca 0.01 -0.48 -0.19 0.00 -0.05 0.00 0.00 57.45 56.74 3g3p n PHE 64 Cb 0.24 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3g3p n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3g3p n ASN 65 N -0.63 -4.50 -4.76 4.37 5.15 -1.17 -4.93 115.26 108.79 3g3p n ASN 65 Ca 0.05 -0.12 -0.40 0.00 -0.60 0.00 0.00 54.58 53.52 3g3p n ASN 65 Cb 0.51 -3.73 -0.06 0.00 -0.53 0.00 0.00 39.78 35.97 3g3p n ASN 65 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3g3p s LYS 66 N -5.50 4.70 0.91 1.20 -0.14 -1.02 -5.01 119.74 114.88 3g3p s LYS 66 Ca 0.20 1.31 -0.11 0.00 -1.36 0.00 0.00 55.97 56.01 3g3p s LYS 66 Cb -0.10 -3.27 0.14 0.00 -1.68 0.00 0.00 37.83 32.92 3g3p s LYS 66 CO 0.24 0.54 1.11 -1.54 -0.76 0.00 0.00 175.35 174.94 3g3p s SER 67 N -1.15 3.16 0.21 2.83 1.04 -1.26 -4.44 113.70 114.09 3g3p s SER 67 Ca 0.38 1.88 -0.10 0.00 0.48 0.00 0.00 55.95 58.60 3g3p s SER 67 Cb -0.24 -2.45 0.20 0.00 0.10 0.00 0.00 66.02 63.62 3g3p s SER 67 CO 0.29 -2.90 1.85 -0.09 0.98 0.00 0.00 173.24 173.38 3g3p h ARG 68 N -1.73 0.87 -0.23 4.02 9.65 -1.98 0.53 114.38 125.52 3g3p h ARG 68 Ca -0.47 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.35 3g3p h ARG 68 Cb 1.27 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 3g3p h ARG 68 CO 0.48 0.58 0.10 1.49 2.80 0.00 0.00 179.97 185.41 3g3p h GLU 69 N 0.90 0.34 -0.63 0.20 4.57 -1.99 -0.89 114.58 117.08 3g3p h GLU 69 Ca 0.29 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.34 3g3p h GLU 69 Cb 0.01 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3g3p h GLU 69 CO -0.11 0.38 0.11 -0.44 -1.18 0.00 0.00 179.01 177.78 3g3p h ASP 70 N 0.22 0.99 -0.73 1.04 5.19 -1.84 -1.25 116.42 120.04 3g3p h ASP 70 Ca 0.08 -0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.22 3g3p h ASP 70 Cb 0.17 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 3g3p h ASP 70 CO -0.01 0.99 0.41 0.00 -3.12 0.00 0.00 179.24 177.51 3g3p h ALA 71 N 1.03 0.93 -0.44 3.45 0.00 -0.74 -0.98 119.26 122.51 3g3p h ALA 71 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3g3p h ALA 71 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3g3p h ALA 71 CO 0.01 0.44 0.00 1.15 0.00 0.00 0.00 179.25 180.85 3g3p h THR 72 N 1.00 1.26 -0.57 0.00 2.02 -0.90 -1.25 112.91 114.48 3g3p h THR 72 Ca 0.26 -1.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.31 3g3p h THR 72 Cb 0.02 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3g3p h THR 72 CO -0.04 0.36 0.01 0.03 0.37 0.00 0.00 175.52 176.25 3g3p h ARG 73 N 0.63 1.00 -0.41 6.66 3.08 -0.97 -1.18 114.38 123.18 3g3p h ARG 73 Ca 0.13 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 3g3p h ARG 73 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3g3p h ARG 73 CO 0.02 0.99 -0.03 0.82 -1.07 0.00 0.00 179.97 180.70 3g3p h ILE 74 N 0.88 1.27 -0.63 2.04 2.04 -1.12 0.03 117.51 122.02 3g3p h ILE 74 Ca 0.16 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 65.01 3g3p h ILE 74 Cb 0.53 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 3g3p h ILE 74 CO 0.03 0.36 0.34 -0.03 0.00 0.00 0.00 178.15 178.85 3g3p h MET 75 N 0.57 0.61 -0.22 2.37 4.05 -1.05 0.05 114.93 121.31 3g3p h MET 75 Ca 0.11 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.39 3g3p h MET 75 Cb 0.52 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 3g3p h MET 75 CO 0.03 0.40 -0.31 -0.07 0.23 0.00 0.00 176.91 177.19 3g3p h LEU 76 N 0.63 0.46 -0.67 3.39 3.38 -0.93 -1.51 115.31 120.06 3g3p h LEU 76 Ca 0.28 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3g3p h LEU 76 Cb 0.18 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3g3p h LEU 76 CO -0.18 0.75 0.13 -0.74 0.09 0.00 0.00 178.44 178.49 3g3p h HIS 77 N 0.39 1.16 -0.49 1.13 2.76 -0.15 -0.72 115.15 119.23 3g3p h HIS 77 Ca 0.05 -0.15 -0.06 0.00 -2.20 0.00 0.00 60.37 58.01 3g3p h HIS 77 Cb 0.74 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 3g3p h HIS 77 CO 0.02 0.96 0.08 0.28 -1.30 0.00 0.00 177.93 177.98 3g3p h VAL 78 N 1.02 1.25 -0.82 5.26 2.07 -0.65 0.11 116.25 124.50 3g3p h VAL 78 Ca 0.21 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3g3p h VAL 78 Cb 0.41 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3g3p h VAL 78 CO 0.01 0.33 0.49 -0.74 0.02 0.00 0.00 177.57 177.68 3g3p h HIS 79 N 0.69 1.08 0.21 1.57 6.17 -1.01 0.18 115.15 124.04 3g3p h HIS 79 Ca 0.15 -0.01 -0.33 0.00 0.71 0.00 0.00 60.37 60.89 3g3p h HIS 79 Cb 0.40 -0.35 0.02 0.00 2.52 0.00 0.00 27.41 30.00 3g3p h HIS 79 CO 0.03 0.73 -1.52 0.37 0.71 0.00 0.00 177.93 178.24 3g3p h GLN 80 N 1.12 0.45 -0.00 5.26 5.75 -0.89 -3.38 115.11 123.42 3g3p h GLN 80 Ca 0.29 -0.78 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3g3p h GLN 80 Cb -0.03 0.29 0.00 0.00 1.07 0.00 0.00 27.48 28.80 3g3p h GLN 80 CO -0.05 1.36 -0.54 0.09 -2.65 0.00 0.00 178.83 177.04 3g3p n ASN 81 N -3.64 0.58 0.00 -0.69 5.03 0.38 -5.00 115.26 111.91 3g3p n ASN 81 Ca -0.18 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.49 3g3p n ASN 81 Cb 1.09 0.98 0.00 0.00 -1.02 0.00 0.00 39.78 40.83 3g3p n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3g3p n GLY 82 N 1.26 1.35 3.52 7.41 0.00 0.62 -4.99 105.19 114.36 3g3p n GLY 82 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3g3p n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3p s VAL 83 N -2.31 0.00 0.04 1.61 0.11 -1.23 -1.09 120.40 117.53 3g3p s VAL 83 Ca 0.00 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 3g3p s VAL 83 Cb 0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 3g3p s VAL 83 CO 0.00 0.00 0.35 -0.83 -3.33 0.00 0.00 175.10 171.29 3g3p s GLY 84 N -1.26 -0.18 -0.17 6.54 0.00 -0.67 -4.21 107.32 107.37 3g3p s GLY 84 Ca -0.10 0.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.61 3g3p s GLY 84 CO 0.08 -0.08 0.43 0.14 0.00 0.00 0.00 173.10 173.68 3g3p s VAL 85 N -2.41 5.19 -0.15 1.40 1.01 -1.26 -1.78 120.40 122.40 3g3p s VAL 85 Ca -0.06 0.81 0.19 0.00 0.00 0.00 0.00 61.98 62.92 3g3p s VAL 85 Cb -0.01 -3.77 -0.27 0.00 0.00 0.00 0.00 36.38 32.33 3g3p s VAL 85 CO -0.02 0.28 0.22 0.00 0.00 0.00 0.00 175.10 175.58 3g3p n GLY 87 N 1.61 0.78 2.89 0.00 0.00 -1.25 -4.86 105.19 104.36 3g3p n GLY 87 Ca -0.24 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 3g3p n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g3p s VAL 88 N -2.00 0.55 0.25 1.61 1.01 -1.26 -1.11 120.40 119.45 3g3p s VAL 88 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 3g3p s VAL 88 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3g3p s VAL 88 CO 0.00 0.23 0.33 -0.31 0.00 0.00 0.00 175.10 175.35 3g3p s TYR 89 N 0.95 0.83 0.85 5.22 2.02 -0.39 -4.92 117.35 121.92 3g3p s TYR 89 Ca -0.11 -1.10 -0.11 0.00 -0.37 0.00 0.00 57.07 55.38 3g3p s TYR 89 Cb -0.14 -0.18 0.11 0.00 -0.40 0.00 0.00 41.96 41.35 3g3p s TYR 89 CO -0.00 -0.87 1.14 0.95 -1.57 0.00 0.00 175.55 175.20 3g3p s THR 90 N -3.92 2.37 0.18 -0.71 -4.23 -1.26 -0.42 115.64 107.66 3g3p s THR 90 Ca 0.31 0.13 -0.18 0.00 -1.18 0.00 0.00 61.69 60.77 3g3p s THR 90 Cb 0.03 -2.33 0.14 0.00 1.34 0.00 0.00 72.50 71.67 3g3p s THR 90 CO 0.13 -0.15 1.63 0.22 -0.54 0.00 0.00 174.62 175.90 3g3p h TYR 91 N -1.47 -0.50 -0.09 3.99 3.20 -1.92 0.38 116.97 120.56 3g3p h TYR 91 Ca -0.44 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.36 3g3p h TYR 91 Cb 1.26 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.82 3g3p h TYR 91 CO 0.51 -0.29 -0.50 0.93 -1.64 0.00 0.00 178.16 177.18 3g3p h GLU 92 N -0.09 0.23 -0.17 1.82 3.07 -1.99 -0.89 114.58 116.56 3g3p h GLU 92 Ca 0.23 -0.13 -0.22 0.00 -0.50 0.00 0.00 59.36 58.75 3g3p h GLU 92 Cb 0.45 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3g3p h GLU 92 CO -0.56 0.67 -0.75 0.28 -1.40 0.00 0.00 179.01 177.26 3g3p h VAL 93 N 0.18 1.28 -0.70 3.13 2.07 -1.72 -2.05 116.25 118.44 3g3p h VAL 93 Ca 0.01 -1.95 0.02 0.00 0.82 0.00 0.00 66.70 65.60 3g3p h VAL 93 Cb 0.94 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 3g3p h VAL 93 CO 0.08 0.62 0.45 0.00 0.02 0.00 0.00 177.57 178.73 3g3p h ALA 94 N 0.60 0.91 -0.88 1.67 0.00 -0.66 -0.19 119.26 120.70 3g3p h ALA 94 Ca -0.04 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3g3p h ALA 94 Cb 1.37 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3g3p h ALA 94 CO 0.15 0.25 0.58 0.93 0.00 0.00 0.00 179.25 181.16 3g3p h GLU 95 N 0.89 1.04 -0.25 0.00 5.08 -1.07 -0.96 114.58 119.31 3g3p h GLU 95 Ca 0.27 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3g3p h GLU 95 Cb -0.03 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3g3p h GLU 95 CO -0.09 0.69 -0.08 1.15 -1.00 0.00 0.00 179.01 179.68 3g3p h THR 96 N 1.07 1.29 -0.46 1.13 2.02 -0.54 -1.79 112.91 115.63 3g3p h THR 96 Ca 0.36 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3g3p h THR 96 Cb 0.07 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3g3p h THR 96 CO -0.11 0.35 0.21 0.11 0.37 0.00 0.00 175.52 176.44 3g3p h LYS 97 N 0.24 0.68 -0.21 6.66 1.79 -0.67 0.04 116.57 125.10 3g3p h LYS 97 Ca 0.06 -0.11 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 3g3p h LYS 97 Cb 0.56 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.07 3g3p h LYS 97 CO 0.03 0.59 0.02 0.28 -1.08 0.00 0.00 179.45 179.29 3g3p h VAL 98 N 0.60 0.88 -0.57 0.50 2.07 -1.13 -0.88 116.25 117.72 3g3p h VAL 98 Ca 0.16 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.65 3g3p h VAL 98 Cb 0.15 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3g3p h VAL 98 CO -0.02 0.02 0.37 0.00 0.02 0.00 0.00 177.57 177.96 3g3p h ALA 99 N 1.16 0.72 -0.48 1.67 0.00 -1.02 -1.73 119.26 119.59 3g3p h ALA 99 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3g3p h ALA 99 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3g3p h ALA 99 CO -0.14 0.15 0.06 1.96 0.00 0.00 0.00 179.25 181.28 3g3p h GLN 100 N 0.76 0.75 -0.28 0.00 4.20 -0.59 -0.69 115.11 119.25 3g3p h GLN 100 Ca 0.21 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 3g3p h GLN 100 Cb -0.07 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3g3p h GLN 100 CO -0.05 0.72 -0.09 0.28 -0.67 0.00 0.00 178.83 179.01 3g3p h VAL 101 N 0.72 1.29 -0.23 -0.54 2.07 -0.82 -1.32 116.25 117.41 3g3p h VAL 101 Ca 0.15 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3g3p h VAL 101 Cb 0.35 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3g3p h VAL 101 CO 0.01 0.36 0.10 0.40 0.02 0.00 0.00 177.57 178.45 3g3p h ILE 102 N 0.31 1.16 -0.12 4.57 1.08 -1.08 0.88 117.51 124.32 3g3p h ILE 102 Ca 0.07 -0.49 0.04 0.00 -0.39 0.00 0.00 64.86 64.09 3g3p h ILE 102 Cb 0.58 1.06 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 3g3p h ILE 102 CO 0.03 0.16 -0.12 -0.78 -0.69 0.00 0.00 178.15 176.76 3g3p h ASP 103 N 0.23 -0.38 -0.21 1.72 3.58 -1.13 -0.88 116.42 119.34 3g3p h ASP 103 Ca 0.08 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.60 3g3p h ASP 103 Cb 0.17 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 3g3p h ASP 103 CO -0.01 -0.16 0.14 -1.28 -2.88 0.00 0.00 179.24 175.05 3g3p h SER 104 N -0.14 0.25 -0.09 2.28 0.87 -1.04 -2.08 113.55 113.59 3g3p h SER 104 Ca 0.09 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3g3p h SER 104 Cb 0.27 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3g3p h SER 104 CO -0.21 0.18 0.02 0.00 -0.53 0.00 0.00 176.83 176.28 3g3p h ALA 105 N 1.08 0.09 -0.46 6.23 0.00 -0.50 -0.71 119.26 124.98 3g3p h ALA 105 Ca 0.08 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3g3p h ALA 105 Cb -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3g3p h ALA 105 CO -0.02 -0.45 -0.09 0.00 0.00 0.00 0.00 179.25 178.70 3g3p h ARG 106 N 0.06 0.82 0.00 0.00 2.47 -1.11 0.05 114.38 116.66 3g3p h ARG 106 Ca 0.04 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 3g3p h ARG 106 Cb 0.03 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 3g3p h ARG 106 CO -0.05 0.88 0.00 0.00 0.56 0.00 0.00 179.97 181.36 3g3p h ARG 107 N 0.75 0.00 -0.54 0.04 3.08 -1.06 -0.51 114.38 116.14 3g3p h ARG 107 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3g3p h ARG 107 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3g3p h ARG 107 CO 0.04 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.66 3g3p n HIS 108 N -2.83 0.71 -2.77 3.04 8.25 -0.30 -4.95 115.22 116.37 3g3p n HIS 108 Ca 0.01 -0.36 -0.15 0.00 -0.26 0.00 0.00 57.72 56.96 3g3p n HIS 108 Cb 0.29 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.43 3g3p n HIS 108 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3g3p n GLN 109 N 1.18 -3.33 -4.72 -0.41 1.13 -0.20 -5.02 117.38 106.01 3g3p n GLN 109 Ca 0.19 0.62 -0.27 0.00 -1.94 0.00 0.00 57.00 55.61 3g3p n GLN 109 Cb 0.49 -4.88 -0.14 0.00 0.11 0.00 0.00 30.24 25.82 3g3p n GLN 109 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3g3p s HIS 110 N -2.97 1.92 -1.83 1.08 3.76 -0.09 -5.01 115.29 112.15 3g3p s HIS 110 Ca 0.20 -0.38 0.08 0.00 -0.15 0.00 0.00 55.06 54.81 3g3p s HIS 110 Cb -0.09 -1.15 0.25 0.00 1.11 0.00 0.00 32.58 32.70 3g3p s HIS 110 CO 0.25 0.09 1.17 -0.35 -0.85 0.00 0.00 174.74 175.06 3g3p n PRO 111 N 1.87 1.74 -1.59 8.40 -0.04 -1.26 -3.55 135.00 140.58 3g3p n PRO 111 Ca -0.17 -1.01 -0.61 0.00 -0.04 0.00 0.00 63.50 61.67 3g3p n PRO 111 Cb 0.53 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.62 3g3p n PRO 111 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3g3p n LEU 112 N 0.30 0.63 -4.78 1.53 7.94 -1.26 -4.93 117.00 116.42 3g3p n LEU 112 Ca 0.09 1.16 -0.36 0.00 -1.11 0.00 0.00 56.01 55.79 3g3p n LEU 112 Cb 0.28 -0.95 -0.07 0.00 0.53 0.00 0.00 43.42 43.21 3g3p n LEU 112 CO 0.07 -1.45 -0.10 -1.10 -1.11 0.00 0.00 177.39 173.70 3g3p s GLN 113 N 1.06 3.99 -0.01 1.96 -0.21 -1.26 -4.84 119.66 120.34 3g3p s GLN 113 Ca 0.95 -0.05 0.01 0.00 0.02 0.00 0.00 55.36 56.29 3g3p s GLN 113 Cb -1.29 -3.34 0.00 0.00 1.00 0.00 0.00 33.01 29.38 3g3p s GLN 113 CO 0.63 0.44 -0.04 0.00 -2.12 0.00 0.00 175.29 174.21 3g3p n THR 115 N 3.20 0.00 -3.94 0.00 5.66 -0.50 -4.99 114.28 113.71 3g3p n THR 115 Ca -0.15 -0.90 -0.09 0.00 -3.05 0.00 0.00 64.05 59.86 3g3p n THR 115 Cb 0.57 0.60 -0.09 0.00 -1.55 0.00 0.00 70.33 69.85 3g3p n THR 115 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3g3p s MET 116 N -2.36 0.61 0.04 1.09 0.23 -1.26 -0.51 119.30 117.13 3g3p s MET 116 Ca 0.15 -0.81 -0.00 0.00 -1.03 0.00 0.00 55.69 53.99 3g3p s MET 116 Cb -0.01 0.24 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 3g3p s MET 116 CO 0.11 -0.15 -0.03 -1.21 -2.03 0.00 0.00 175.02 171.70 3g3p s GLU 117 N -2.83 0.46 0.34 3.16 2.02 -0.41 -4.98 118.70 116.47 3g3p s GLU 117 Ca -0.03 -0.91 -0.28 0.00 0.02 0.00 0.00 54.97 53.77 3g3p s GLU 117 Cb 0.00 0.14 -0.12 0.00 0.10 0.00 0.00 34.13 34.25 3g3p s GLU 117 CO -0.06 -0.07 1.39 1.17 0.02 0.00 0.00 175.26 177.71 3g3p n LYS 118 N 0.88 2.34 0.00 1.61 4.81 -1.26 -0.46 118.16 126.09 3g3p n LYS 118 Ca -0.19 0.82 0.16 0.00 -0.87 0.00 0.00 58.31 58.23 3g3p n LYS 118 Cb 0.58 -2.47 0.91 0.00 0.02 0.00 0.00 35.03 34.07 3g3p n LYS 118 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10