#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpt s PRO 13 N -0.85 3.91 0.13 0.00 0.04 -1.26 -5.00 135.00 131.96 3fpt s PRO 13 Ca 0.10 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.21 3fpt s PRO 13 Cb -0.01 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 3fpt s PRO 13 CO 0.23 -0.34 1.33 -0.06 0.04 0.00 0.00 177.00 178.20 3fpt s PHE 14 N -1.92 3.29 0.18 0.56 0.08 -1.26 -4.99 117.98 113.93 3fpt s PHE 14 Ca 0.65 1.10 -0.33 0.00 0.12 0.00 0.00 56.93 58.47 3fpt s PHE 14 Cb -0.17 -3.60 -0.15 0.00 -0.57 0.00 0.00 43.02 38.53 3fpt s PHE 14 CO 0.21 -2.00 1.31 1.28 -0.10 0.00 0.00 175.22 175.92 3fpt n LEU 15 N 3.58 2.24 -4.33 -0.37 4.77 -1.26 -4.99 117.00 116.64 3fpt n LEU 15 Ca 0.09 1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 56.91 3fpt n LEU 15 Cb 0.43 -1.31 -0.15 0.00 -2.33 0.00 0.00 43.42 40.07 3fpt n LEU 15 CO 0.58 -0.89 -0.57 0.68 -1.33 0.00 0.00 177.39 175.86 3fpt s VAL 16 N 0.05 2.09 0.52 4.08 -7.23 -1.26 -3.18 120.40 115.47 3fpt s VAL 16 Ca 0.73 -1.33 0.04 0.00 -1.81 0.00 0.00 61.98 59.62 3fpt s VAL 16 Cb -0.78 -1.78 0.04 0.00 0.56 0.00 0.00 36.38 34.42 3fpt s VAL 16 CO 0.49 0.39 0.72 0.00 -0.31 0.00 0.00 175.10 176.39 3fpt s ALA 17 N -0.77 4.20 0.05 1.32 0.00 0.16 -4.88 121.76 121.85 3fpt s ALA 17 Ca 0.11 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.54 3fpt s ALA 17 Cb -0.10 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 3fpt s ALA 17 CO 0.01 -0.65 -0.13 -1.21 0.00 0.00 0.00 175.76 173.79 3fpt s GLU 18 N -4.63 0.80 0.86 0.00 2.02 -0.94 0.22 118.70 117.03 3fpt s GLU 18 Ca 0.58 -0.81 -0.10 0.00 0.02 0.00 0.00 54.97 54.66 3fpt s GLU 18 Cb -0.09 -0.77 0.17 0.00 0.10 0.00 0.00 34.13 33.54 3fpt s GLU 18 CO 0.37 0.18 1.19 0.54 0.02 0.00 0.00 175.26 177.56 3fpt s ASN 19 N -1.41 3.62 0.54 -0.19 2.20 0.35 0.70 114.94 120.74 3fpt s ASN 19 Ca -0.02 -0.00 0.39 0.00 -0.94 0.00 0.00 52.86 52.30 3fpt s ASN 19 Cb -0.09 -0.18 1.58 0.00 -2.00 0.00 0.00 41.25 40.56 3fpt s ASN 19 CO 0.01 -2.38 1.74 0.50 -2.94 0.00 0.00 177.10 174.04 3fpt h LYS 20 N -1.18 0.02 0.00 3.55 1.63 -1.91 -0.83 116.57 117.85 3fpt h LYS 20 Ca -0.41 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 3fpt h LYS 20 Cb 1.25 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 3fpt h LYS 20 CO 0.39 0.01 -0.86 0.25 -3.45 0.00 0.00 179.45 175.79 3fpt n THR 21 N -4.15 0.00 0.00 1.00 -2.24 -1.26 -4.99 114.28 102.64 3fpt n THR 21 Ca 0.31 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3fpt n THR 21 Cb 1.43 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 70.54 3fpt n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fpt n GLY 22 N 1.39 0.70 3.70 3.38 0.00 -0.32 -5.08 105.19 108.97 3fpt n GLY 22 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3fpt n GLY 22 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3fpt n TYR 23 N 0.00 2.65 -2.86 1.61 9.36 -1.26 -4.68 117.16 121.98 3fpt n TYR 23 Ca 0.00 -0.03 -0.40 0.00 3.32 0.00 0.00 57.90 60.79 3fpt n TYR 23 Cb 0.00 -2.69 -0.05 0.00 -0.63 0.00 0.00 39.34 35.97 3fpt n TYR 23 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3fpt s PRO 24 N 1.94 4.63 0.03 2.98 0.04 -1.26 -0.50 135.00 142.87 3fpt s PRO 24 Ca 0.79 1.28 0.05 0.00 0.04 0.00 0.00 61.00 63.16 3fpt s PRO 24 Cb -0.51 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 30.67 3fpt s PRO 24 CO 0.35 0.36 -0.15 0.99 0.04 0.00 0.00 177.00 178.59 3fpt s THR 25 N -0.44 1.21 0.82 1.26 2.01 0.58 -4.94 115.64 116.15 3fpt s THR 25 Ca 0.41 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 3fpt s THR 25 Cb -0.23 -1.08 0.09 0.00 0.01 0.00 0.00 72.50 71.29 3fpt s THR 25 CO 0.27 0.08 1.14 0.27 -0.69 0.00 0.00 174.62 175.69 3fpt s ILE 26 N -0.77 2.55 -0.03 1.82 -4.36 -1.26 0.41 121.20 119.55 3fpt s ILE 26 Ca 0.03 0.20 0.04 0.00 -0.26 0.00 0.00 60.65 60.66 3fpt s ILE 26 Cb -0.08 -2.49 0.07 0.00 1.25 0.00 0.00 42.46 41.22 3fpt s ILE 26 CO 0.01 -0.21 0.90 0.55 0.24 0.00 0.00 174.94 176.43 3fpt n VAL 27 N -3.64 0.73 -3.58 8.37 3.14 -1.19 -1.79 118.33 120.37 3fpt n VAL 27 Ca 0.11 -0.82 -0.08 0.00 -2.96 0.00 0.00 64.34 60.60 3fpt n VAL 27 Cb 0.52 0.46 -0.04 0.00 -1.06 0.00 0.00 33.84 33.72 3fpt n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3fpt s ALA 28 N -0.96 -1.97 -0.84 1.55 0.00 -1.25 -0.53 121.76 117.75 3fpt s ALA 28 Ca 0.08 1.57 0.21 0.00 0.00 0.00 0.00 51.96 53.82 3fpt s ALA 28 Cb 0.07 -0.63 -0.21 0.00 0.00 0.00 0.00 23.12 22.35 3fpt s ALA 28 CO 0.01 -0.39 0.86 0.00 0.00 0.00 0.00 175.76 176.24 3fpt s LYS 30 N -3.09 1.26 -0.18 0.00 1.02 -1.25 -0.66 119.74 116.83 3fpt s LYS 30 Ca 0.05 -1.38 -0.30 0.00 0.02 0.00 0.00 55.97 54.36 3fpt s LYS 30 Cb 0.16 0.35 0.14 0.00 -0.52 0.00 0.00 37.83 37.96 3fpt s LYS 30 CO 0.87 -0.46 1.11 -1.14 -0.92 0.00 0.00 175.35 174.81 3fpt s GLN 31 N -4.06 0.43 0.58 1.68 0.74 -0.41 -4.95 119.66 113.68 3fpt s GLN 31 Ca 0.27 0.04 0.07 0.00 0.05 0.00 0.00 55.36 55.79 3fpt s GLN 31 Cb 0.04 0.20 0.07 0.00 1.10 0.00 0.00 33.01 34.42 3fpt s GLN 31 CO 0.07 -0.15 0.61 -0.25 -0.55 0.00 0.00 175.29 175.02 3fpt n ASP 32 N 0.48 2.53 0.00 6.67 8.00 -1.26 0.40 116.55 133.36 3fpt n ASP 32 Ca -0.06 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.65 3fpt n ASP 32 Cb 0.59 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 3fpt n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fpt n ASN 34 N -0.08 0.00 0.00 0.00 3.02 -1.26 -5.05 115.26 111.89 3fpt n ASN 34 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3fpt n ASN 34 Cb 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 3fpt n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fpt n GLY 35 N 2.88 0.87 3.53 7.41 0.00 -1.26 -4.74 105.19 113.87 3fpt n GLY 35 Ca 0.00 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 3fpt n GLY 35 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fpt n THR 36 N 0.00 1.17 0.00 2.61 -2.24 -1.26 -4.82 114.28 109.74 3fpt n THR 36 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3fpt n THR 36 Cb 0.00 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 3fpt n THR 36 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3fpt n THR 37 N -3.18 0.00 -3.36 4.28 -1.04 -1.25 -3.66 114.28 106.07 3fpt n THR 37 Ca 0.10 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.76 3fpt n THR 37 Cb 0.51 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.97 3fpt n THR 37 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3fpt s GLU 38 N 0.00 3.96 -0.02 -2.82 2.12 0.16 -4.89 118.70 117.21 3fpt s GLU 38 Ca 0.00 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.81 3fpt s GLU 38 Cb 0.00 -2.89 0.03 0.00 0.26 0.00 0.00 34.13 31.52 3fpt s GLU 38 CO 0.00 0.46 0.01 0.99 -0.54 0.00 0.00 175.26 176.18 3fpt s THR 39 N -1.51 0.08 0.47 -1.70 2.01 -1.26 -1.28 115.64 112.44 3fpt s THR 39 Ca 0.39 0.13 -0.21 0.00 0.31 0.00 0.00 61.69 62.31 3fpt s THR 39 Cb -0.15 -0.18 -0.08 0.00 0.01 0.00 0.00 72.50 72.10 3fpt s THR 39 CO 0.19 0.12 1.08 0.00 -0.69 0.00 0.00 174.62 175.32 3fpt s ALA 40 N 0.99 2.90 0.55 7.40 0.00 0.17 -4.95 121.76 128.83 3fpt s ALA 40 Ca -0.09 0.74 -0.20 0.00 0.00 0.00 0.00 51.96 52.41 3fpt s ALA 40 Cb -0.13 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3fpt s ALA 40 CO -0.02 -0.45 0.85 -2.30 0.00 0.00 0.00 175.76 173.84 3fpt n PRO 41 N -0.73 0.89 -1.19 0.00 -0.02 -1.26 -4.69 135.00 128.00 3fpt n PRO 41 Ca 0.08 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 3fpt n PRO 41 Cb 0.51 -2.01 0.11 0.00 -0.02 0.00 0.00 33.50 32.09 3fpt n PRO 41 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fpt n ASN 42 N -0.13 0.76 0.00 2.55 3.02 -1.26 -3.08 115.26 117.12 3fpt n ASN 42 Ca 0.12 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 3fpt n ASN 42 Cb 0.45 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 3fpt n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fpt n GLY 43 N 0.77 3.26 3.68 7.41 0.00 -0.07 -4.91 105.19 115.33 3fpt n GLY 43 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3fpt n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fpt s THR 44 N -2.26 3.41 0.37 2.61 2.01 -1.18 -4.38 115.64 116.23 3fpt s THR 44 Ca 0.00 0.77 -0.26 0.00 0.31 0.00 0.00 61.69 62.51 3fpt s THR 44 Cb 0.00 -3.50 -0.12 0.00 0.01 0.00 0.00 72.50 68.89 3fpt s THR 44 CO 0.00 -0.02 1.09 -1.14 -0.69 0.00 0.00 174.62 173.87 3fpt n ARG 45 N 5.81 1.57 -3.68 4.92 0.63 -1.26 -1.39 116.66 123.26 3fpt n ARG 45 Ca 0.15 0.56 -0.09 0.00 -0.92 0.00 0.00 57.85 57.54 3fpt n ARG 45 Cb 0.42 -2.09 -0.03 0.00 0.45 0.00 0.00 32.46 31.22 3fpt n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fpt s PHE 47 N -3.85 2.92 -1.24 0.00 0.08 -0.74 -0.79 117.98 114.36 3fpt s PHE 47 Ca 0.07 -0.27 -0.05 0.00 0.12 0.00 0.00 56.93 56.81 3fpt s PHE 47 Cb -0.03 -1.82 0.18 0.00 -0.57 0.00 0.00 43.02 40.78 3fpt s PHE 47 CO -0.02 0.06 2.15 -1.13 -0.10 0.00 0.00 175.22 176.18 3fpt n SER 48 N 3.00 7.48 -0.52 1.36 3.41 -0.73 -3.97 113.62 123.65 3fpt n SER 48 Ca -0.18 -3.28 0.06 0.00 -0.26 0.00 0.00 58.87 55.22 3fpt n SER 48 Cb 0.53 -1.32 0.05 0.00 -0.26 0.00 0.00 64.21 63.21 3fpt n SER 48 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3fpt n ILE 49 N 1.46 0.01 -1.04 -1.33 -5.35 -1.25 -4.88 119.36 106.98 3fpt n ILE 49 Ca 0.54 -0.51 0.13 0.00 -0.27 0.00 0.00 62.75 62.65 3fpt n ILE 49 Cb 0.27 1.26 -0.05 0.00 -1.74 0.00 0.00 39.64 39.38 3fpt n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fpt n GLY 50 N 0.72 -2.38 0.34 3.28 0.00 0.31 -2.52 105.19 104.93 3fpt n GLY 50 Ca 0.08 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.87 3fpt n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fpt h ASP 51 N -1.00 0.87 0.10 1.61 3.32 -1.96 -1.76 116.42 117.60 3fpt h ASP 51 Ca -0.05 -0.06 -0.25 0.00 0.02 0.00 0.00 57.03 56.68 3fpt h ASP 51 Cb 0.98 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.32 3fpt h ASP 51 CO 0.03 0.69 -1.00 -0.33 -1.72 0.00 0.00 179.24 176.91 3fpt h GLU 52 N 0.99 0.62 -0.49 3.56 3.07 -1.94 0.11 114.58 120.50 3fpt h GLU 52 Ca 0.25 -0.65 0.04 0.00 -0.50 0.00 0.00 59.36 58.50 3fpt h GLU 52 Cb 0.00 0.18 -0.06 0.00 -0.84 0.00 0.00 28.75 28.04 3fpt h GLU 52 CO -0.04 1.25 -0.29 0.41 -1.40 0.00 0.00 179.01 178.94 3fpt n GLY 53 N 1.02 -1.64 0.27 -3.84 0.00 -1.05 0.12 105.19 100.07 3fpt n GLY 53 Ca -0.09 0.65 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 3fpt n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fpt h LEU 54 N 0.00 0.76 -0.69 0.99 5.85 -0.28 -2.88 115.31 119.06 3fpt h LEU 54 Ca 0.08 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 3fpt h LEU 54 Cb 0.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3fpt h LEU 54 CO -0.46 0.92 -0.32 0.03 -0.34 0.00 0.00 178.44 178.28 3fpt h ARG 55 N 0.68 0.66 0.00 1.25 3.08 0.88 -2.89 114.38 118.04 3fpt h ARG 55 Ca 0.11 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3fpt h ARG 55 Cb 0.64 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3fpt h ARG 55 CO 0.04 0.89 0.00 0.00 -1.07 0.00 0.00 179.97 179.84 3fpt h ARG 56 N 0.56 0.00 -6.65 0.04 3.08 0.11 -3.45 114.38 108.08 3fpt h ARG 56 Ca 0.06 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.59 3fpt h ARG 56 Cb 0.82 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.91 3fpt h ARG 56 CO 0.07 0.00 0.76 -1.64 -1.07 0.00 0.00 179.97 178.09 3fpt s MET 57 N -3.55 4.29 0.93 0.04 -1.94 -1.10 -5.01 119.30 112.97 3fpt s MET 57 Ca 0.02 2.22 -0.12 0.00 -1.71 0.00 0.00 55.69 56.10 3fpt s MET 57 Cb 0.09 -3.17 0.15 0.00 2.01 0.00 0.00 34.83 33.91 3fpt s MET 57 CO 0.47 -0.44 1.09 0.99 -0.01 0.00 0.00 175.02 177.12 3fpt s THR 58 N 0.57 2.43 0.05 2.05 2.01 -1.26 -4.89 115.64 116.60 3fpt s THR 58 Ca 0.63 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.78 3fpt s THR 58 Cb -0.40 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 3fpt s THR 58 CO 0.36 -0.18 0.15 0.00 -0.69 0.00 0.00 174.62 174.26 3fpt s ALA 59 N -2.95 3.81 0.00 7.40 0.00 -1.26 -3.98 121.76 124.77 3fpt s ALA 59 Ca 0.64 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.71 3fpt s ALA 59 Cb -0.18 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.27 3fpt s ALA 59 CO 0.57 0.78 0.00 0.09 0.00 0.00 0.00 175.76 177.20 3fpt n ASN 60 N 0.50 0.00 -4.77 0.00 3.02 -0.92 -4.97 115.26 108.13 3fpt n ASN 60 Ca -0.08 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.09 3fpt n ASN 60 Cb 0.52 -1.48 -0.02 0.00 -0.61 0.00 0.00 39.78 38.18 3fpt n ASN 60 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fpt s LEU 61 N 0.00 4.25 0.09 3.41 1.02 -1.26 -5.00 118.68 121.19 3fpt s LEU 61 Ca 0.00 2.35 -0.21 0.00 0.02 0.00 0.00 54.13 56.30 3fpt s LEU 61 Cb 0.00 -3.96 -0.07 0.00 0.02 0.00 0.00 46.19 42.18 3fpt s LEU 61 CO 0.00 -0.60 0.61 -2.16 0.02 0.00 0.00 176.35 174.22 3fpt s PRO 62 N -2.18 4.28 0.41 1.29 0.04 -1.26 -4.59 135.00 132.99 3fpt s PRO 62 Ca 0.55 0.82 0.05 0.00 0.04 0.00 0.00 61.00 62.46 3fpt s PRO 62 Cb -0.31 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 30.93 3fpt s PRO 62 CO 0.40 0.62 0.03 0.71 0.04 0.00 0.00 177.00 178.80 3fpt s TYR 63 N -1.09 2.16 -0.38 0.56 2.02 -0.29 -4.94 117.35 115.38 3fpt s TYR 63 Ca 0.30 -0.87 -0.14 0.00 -0.37 0.00 0.00 57.07 55.99 3fpt s TYR 63 Cb -0.20 -1.55 0.01 0.00 -0.40 0.00 0.00 41.96 39.82 3fpt s TYR 63 CO 0.20 0.21 0.28 0.34 -1.57 0.00 0.00 175.55 175.01 3fpt s ASP 64 N -3.68 6.08 -0.26 2.29 -1.08 -1.26 -1.13 116.67 117.63 3fpt s ASP 64 Ca 0.28 -0.74 -0.03 0.00 -0.52 0.00 0.00 52.55 51.54 3fpt s ASP 64 Cb 0.07 -2.15 0.02 0.00 -1.46 0.00 0.00 42.92 39.40 3fpt s ASP 64 CO 0.14 -0.37 -0.02 0.00 0.52 0.00 0.00 175.17 175.43 3fpt s PRO 66 N 1.38 4.41 0.32 0.00 0.04 -1.26 -0.68 135.00 139.20 3fpt s PRO 66 Ca 0.01 1.96 -0.27 0.00 0.04 0.00 0.00 61.00 62.75 3fpt s PRO 66 Cb -0.17 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.04 3fpt s PRO 66 CO -0.02 -0.24 0.97 -0.51 0.04 0.00 0.00 177.00 177.24 3fpt s LEU 67 N 0.27 4.38 0.33 -3.56 1.43 0.20 -1.77 118.68 119.95 3fpt s LEU 67 Ca 0.57 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.63 3fpt s LEU 67 Cb -0.34 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 41.92 3fpt s LEU 67 CO 0.35 -0.10 0.34 -0.83 0.23 0.00 0.00 176.35 176.34 3fpt s GLY 68 N -1.47 2.01 0.28 -3.19 0.00 0.03 -1.28 107.32 103.70 3fpt s GLY 68 Ca 0.49 -1.87 0.10 0.00 0.00 0.00 0.00 44.72 43.44 3fpt s GLY 68 CO 0.27 -1.30 -0.02 1.20 0.00 0.00 0.00 173.10 173.25 3fpt s GLN 69 N -3.32 2.17 -0.34 2.90 -0.21 -1.02 -1.78 119.66 118.06 3fpt s GLN 69 Ca 0.37 -1.53 -0.14 0.00 0.02 0.00 0.00 55.36 54.08 3fpt s GLN 69 Cb 0.02 -2.07 -0.01 0.00 1.00 0.00 0.00 33.01 31.94 3fpt s GLN 69 CO 0.25 0.31 0.32 0.00 -2.12 0.00 0.00 175.29 174.04 3fpt s SER 71 N 1.73 4.44 0.00 0.00 0.15 0.14 -0.89 113.70 119.28 3fpt s SER 71 Ca 0.09 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.55 3fpt s SER 71 Cb -0.17 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 3fpt s SER 71 CO 0.11 0.20 0.00 -3.20 1.20 0.00 0.00 173.24 171.55 3fpt n ASN 72 N 3.31 0.00 0.00 5.45 5.15 -1.26 0.18 115.26 128.08 3fpt n ASN 72 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 3fpt n ASN 72 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 3fpt n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fpt n GLY 73 N 0.00 0.58 3.37 8.20 0.00 -1.26 -5.08 105.19 111.00 3fpt n GLY 73 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3fpt n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fpt s ASP 74 N -2.15 3.05 -1.03 1.61 1.01 0.46 -3.96 116.67 115.66 3fpt s ASP 74 Ca 0.00 -0.82 -0.20 0.00 0.71 0.00 0.00 52.55 52.24 3fpt s ASP 74 Cb 0.00 -0.20 0.09 0.00 1.01 0.00 0.00 42.92 43.82 3fpt s ASP 74 CO 0.00 0.07 1.36 0.00 0.21 0.00 0.00 175.17 176.81 3fpt s ILE 76 N 3.79 4.31 0.86 0.00 -4.36 -0.82 -4.85 121.20 120.13 3fpt s ILE 76 Ca 0.42 1.54 -0.15 0.00 -0.26 0.00 0.00 60.65 62.20 3fpt s ILE 76 Cb -0.02 -4.17 0.20 0.00 1.25 0.00 0.00 42.46 39.73 3fpt s ILE 76 CO -0.07 -0.33 1.14 -0.81 0.24 0.00 0.00 174.94 175.11 3fpt n PRO 77 N 6.89 -1.22 0.00 0.37 -0.05 -1.26 -2.44 135.00 137.29 3fpt n PRO 77 Ca 0.14 -1.77 0.00 0.00 -0.05 0.00 0.00 63.50 61.82 3fpt n PRO 77 Cb 0.46 -1.20 0.00 0.00 -0.05 0.00 0.00 33.50 32.71 3fpt n PRO 77 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 3fpt n LYS 78 N -3.49 0.00 -0.84 0.54 5.02 -0.41 -4.74 118.16 114.24 3fpt n LYS 78 Ca 0.14 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 3fpt n LYS 78 Cb 0.50 -0.42 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 3fpt n LYS 78 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fpt n GLU 79 N 0.00 -0.12 -3.57 1.97 -0.58 -1.26 -4.97 120.64 112.11 3fpt n GLU 79 Ca 0.00 0.03 -0.35 0.00 -0.42 0.00 0.00 57.16 56.42 3fpt n GLU 79 Cb 0.49 -3.35 -0.05 0.00 -0.57 0.00 0.00 31.44 27.95 3fpt n GLU 79 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3fpt s THR 80 N -2.65 5.08 0.00 2.62 2.01 -1.26 -5.00 115.64 116.44 3fpt s THR 80 Ca 0.00 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3fpt s THR 80 Cb 0.00 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.86 3fpt s THR 80 CO 0.00 0.29 0.00 0.00 -0.69 0.00 0.00 174.62 174.22 3fpt n TYR 81 N 0.92 -0.67 0.00 4.92 4.11 -1.26 0.59 117.16 125.77 3fpt n TYR 81 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.82 3fpt n TYR 81 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 3fpt n TYR 81 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 3fpt n GLU 82 N -0.22 0.00 -3.01 -3.48 2.13 0.14 -4.52 120.64 111.68 3fpt n GLU 82 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 3fpt n GLU 82 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 3fpt n GLU 82 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3fpt s VAL 83 N -2.00 5.02 0.38 6.31 1.01 -1.26 -0.28 120.40 129.58 3fpt s VAL 83 Ca 0.00 1.51 0.05 0.00 0.00 0.00 0.00 61.98 63.54 3fpt s VAL 83 Cb 0.00 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 3fpt s VAL 83 CO 0.00 0.25 0.03 0.00 0.00 0.00 0.00 175.10 175.38 3fpt s TYR 85 N -2.97 0.97 -0.51 0.00 2.02 0.22 -1.14 117.35 115.94 3fpt s TYR 85 Ca 0.33 -1.06 -0.08 0.00 -0.37 0.00 0.00 57.07 55.90 3fpt s TYR 85 Cb 0.09 -0.56 0.13 0.00 -0.40 0.00 0.00 41.96 41.21 3fpt s TYR 85 CO 0.16 -0.30 0.37 0.50 -1.57 0.00 0.00 175.55 174.71 3fpt s ARG 86 N -3.93 2.49 0.56 -0.62 3.52 -1.26 -2.22 118.95 117.49 3fpt s ARG 86 Ca 0.19 -1.93 -0.17 0.00 -0.13 0.00 0.00 55.73 53.70 3fpt s ARG 86 Cb 0.06 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 3fpt s ARG 86 CO -0.00 -1.18 1.05 -0.98 -0.81 0.00 0.00 175.30 173.37 3fpt s ARG 87 N 1.05 3.49 0.00 5.12 1.04 -1.26 -2.16 118.95 126.23 3fpt s ARG 87 Ca 0.09 1.21 0.00 0.00 -1.04 0.00 0.00 55.73 55.98 3fpt s ARG 87 Cb -0.24 -2.06 0.00 0.00 -2.04 0.00 0.00 34.95 30.62 3fpt s ARG 87 CO -0.02 -0.68 0.00 0.27 -0.04 0.00 0.00 175.30 174.83 3fpt n ASN 88 N -1.77 1.60 -0.40 -2.89 0.23 -1.26 -4.91 115.26 105.86 3fpt n ASN 88 Ca 0.09 -0.15 0.05 0.00 -0.53 0.00 0.00 54.58 54.03 3fpt n ASN 88 Cb 0.53 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.27 3fpt n ASN 88 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12