#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpt n LEU 9 N 0.00 -1.11 0.00 -2.67 4.32 -1.26 -5.09 117.00 111.19 3fpt n LEU 9 Ca 0.00 1.68 0.00 0.00 -0.02 0.00 0.00 56.01 57.67 3fpt n LEU 9 Cb 0.00 -2.47 0.00 0.00 -1.62 0.00 0.00 43.42 39.33 3fpt n LEU 9 CO 0.00 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 176.76 3fpt n GLY 10 N -1.48 -1.58 0.52 -0.72 0.00 -1.26 -5.18 105.19 95.49 3fpt n GLY 10 Ca 0.00 -1.31 0.06 0.00 0.00 0.00 0.00 46.02 44.78 3fpt n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fpt n GLY 11 N -0.28 -2.90 3.62 -0.02 0.00 -1.26 -5.09 105.19 99.26 3fpt n GLY 11 Ca 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 46.02 44.68 3fpt n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpt s PRO 13 N -2.80 2.97 0.33 0.00 0.04 -1.26 -5.03 135.00 129.25 3fpt s PRO 13 Ca 0.11 1.34 -0.21 0.00 0.04 0.00 0.00 61.00 62.28 3fpt s PRO 13 Cb 0.01 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 3fpt s PRO 13 CO -0.04 -1.11 0.86 -0.06 0.04 0.00 0.00 177.00 176.70 3fpt s PHE 14 N -2.35 3.51 0.76 0.56 0.08 -1.26 -5.06 117.98 114.22 3fpt s PHE 14 Ca 0.66 1.55 -0.14 0.00 0.12 0.00 0.00 56.93 59.12 3fpt s PHE 14 Cb -0.19 -2.77 0.06 0.00 -0.57 0.00 0.00 43.02 39.55 3fpt s PHE 14 CO 0.40 0.12 1.20 -0.51 -0.10 0.00 0.00 175.22 176.33 3fpt s LEU 15 N -2.53 3.23 0.25 -0.37 1.43 -1.26 -4.99 118.68 114.43 3fpt s LEU 15 Ca 0.53 2.32 0.01 0.00 -1.03 0.00 0.00 54.13 55.96 3fpt s LEU 15 Cb -0.14 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.45 3fpt s LEU 15 CO 0.19 -2.39 0.11 0.68 0.23 0.00 0.00 176.35 175.17 3fpt s VAL 16 N -2.11 0.37 0.36 -1.59 -7.23 -1.26 -3.22 120.40 105.73 3fpt s VAL 16 Ca 0.73 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.98 3fpt s VAL 16 Cb -0.28 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3fpt s VAL 16 CO 0.48 0.00 0.16 0.00 -0.31 0.00 0.00 175.10 175.43 3fpt s ALA 17 N -3.86 3.55 0.25 1.32 0.00 -0.80 -4.90 121.76 117.33 3fpt s ALA 17 Ca 0.38 -1.91 0.07 0.00 0.00 0.00 0.00 51.96 50.50 3fpt s ALA 17 Cb 0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 3fpt s ALA 17 CO 0.14 -0.04 -0.09 -1.21 0.00 0.00 0.00 175.76 174.56 3fpt s GLU 18 N -3.88 1.48 0.49 0.00 2.02 -0.82 -0.72 118.70 117.28 3fpt s GLU 18 Ca 0.39 -1.72 -0.08 0.00 0.02 0.00 0.00 54.97 53.58 3fpt s GLU 18 Cb -0.01 -1.17 0.11 0.00 0.10 0.00 0.00 34.13 33.17 3fpt s GLU 18 CO 0.23 0.10 0.63 0.27 0.02 0.00 0.00 175.26 176.50 3fpt n ASN 19 N -0.52 -0.20 0.28 -0.19 0.23 -0.87 0.01 115.26 114.01 3fpt n ASN 19 Ca -0.06 -1.17 0.19 0.00 -0.53 0.00 0.00 54.58 53.01 3fpt n ASN 19 Cb 0.62 -0.49 0.89 0.00 -2.08 0.00 0.00 39.78 38.72 3fpt n ASN 19 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3fpt h LYS 20 N 0.00 0.00 0.00 -3.83 3.64 -1.94 -1.52 116.57 112.92 3fpt h LYS 20 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3fpt h LYS 20 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3fpt h LYS 20 CO 0.14 0.00 -1.28 0.25 -2.27 0.00 0.00 179.45 176.30 3fpt n THR 21 N -2.94 0.02 0.00 1.00 -2.24 -1.26 -5.01 114.28 103.86 3fpt n THR 21 Ca -0.01 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3fpt n THR 21 Cb 0.18 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.42 1.12 3.67 3.38 0.00 -0.57 -5.06 105.19 109.14 3fpt n GLY 22 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3fpt n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fpt s TYR 23 N -2.00 2.19 0.20 1.61 5.04 -1.26 -4.80 117.35 118.34 3fpt s TYR 23 Ca 0.00 0.34 -0.17 0.00 -2.44 0.00 0.00 57.07 54.79 3fpt s TYR 23 Cb 0.00 -3.86 -0.08 0.00 0.35 0.00 0.00 41.96 38.37 3fpt s TYR 23 CO 0.00 -3.54 0.66 -1.25 -1.34 0.00 0.00 175.55 170.08 3fpt s PRO 24 N 3.63 4.13 -0.02 4.97 0.04 -1.26 -2.05 135.00 144.45 3fpt s PRO 24 Ca 0.71 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 3fpt s PRO 24 Cb -0.33 -2.86 0.03 0.00 0.04 0.00 0.00 34.50 31.37 3fpt s PRO 24 CO 0.28 0.41 0.03 0.99 0.04 0.00 0.00 177.00 178.75 3fpt s THR 25 N -1.54 -0.05 1.10 1.26 2.01 0.10 -4.97 115.64 113.55 3fpt s THR 25 Ca 0.42 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.44 3fpt s THR 25 Cb -0.16 -0.08 0.24 0.00 0.01 0.00 0.00 72.50 72.52 3fpt s THR 25 CO 0.20 0.08 1.14 0.27 -0.69 0.00 0.00 174.62 175.62 3fpt s ILE 26 N 0.93 1.77 0.00 1.82 -4.36 -1.26 -1.90 121.20 118.21 3fpt s ILE 26 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.31 3fpt s ILE 26 Cb -0.11 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.01 3fpt s ILE 26 CO -0.03 0.00 0.00 0.55 0.24 0.00 0.00 174.94 175.70 3fpt n VAL 27 N -4.41 0.00 -3.85 8.37 3.14 -1.20 -0.86 118.33 119.52 3fpt n VAL 27 Ca 0.11 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.40 3fpt n VAL 27 Cb 0.59 1.52 -0.06 0.00 -1.06 0.00 0.00 33.84 34.83 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 0.00 -0.33 -2.52 1.55 0.00 -1.26 -0.41 121.76 118.79 3fpt s ALA 28 Ca 0.00 -0.60 0.24 0.00 0.00 0.00 0.00 51.96 51.60 3fpt s ALA 28 Cb 0.00 0.74 0.31 0.00 0.00 0.00 0.00 23.12 24.17 3fpt s ALA 28 CO 0.00 -0.63 1.31 0.00 0.00 0.00 0.00 175.76 176.44 3fpt s LYS 30 N -2.19 0.96 -0.02 0.00 1.02 -1.26 -0.80 119.74 117.45 3fpt s LYS 30 Ca 0.26 -1.28 -0.03 0.00 0.02 0.00 0.00 55.97 54.95 3fpt s LYS 30 Cb 0.19 -0.64 0.01 0.00 -0.52 0.00 0.00 37.83 36.87 3fpt s LYS 30 CO 0.41 0.10 0.07 -0.65 -0.92 0.00 0.00 175.35 174.36 3fpt s GLN 31 N -3.10 0.11 0.22 1.68 -1.52 -0.95 -4.97 119.66 111.13 3fpt s GLN 31 Ca 0.10 0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.26 3fpt s GLN 31 Cb -0.01 0.05 -0.09 0.00 -0.22 0.00 0.00 33.01 32.74 3fpt s GLN 31 CO 0.01 -0.02 1.14 -0.51 -0.25 0.00 0.00 175.29 175.66 3fpt s ASP 32 N -0.10 7.19 -0.52 5.90 1.11 -1.26 -1.18 116.67 127.82 3fpt s ASP 32 Ca -0.01 2.22 0.06 0.00 0.18 0.00 0.00 52.55 55.00 3fpt s ASP 32 Cb -0.01 -2.61 0.23 0.00 1.07 0.00 0.00 42.92 41.60 3fpt s ASP 32 CO 0.00 -0.25 0.58 0.00 1.18 0.00 0.00 175.17 176.69 3fpt n ASN 34 N 1.41 0.00 -0.01 0.00 4.05 -1.26 -0.46 115.26 118.99 3fpt n ASN 34 Ca 0.25 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.28 3fpt n ASN 34 Cb 0.46 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.47 3fpt n ASN 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3fpt n GLY 35 N 0.00 -0.61 3.74 8.20 0.00 -1.26 -5.09 105.19 110.17 3fpt n GLY 35 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3fpt n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fpt s THR 36 N 0.00 5.06 -0.19 2.61 2.01 0.39 -5.05 115.64 120.47 3fpt s THR 36 Ca 0.00 1.11 -0.11 0.00 0.31 0.00 0.00 61.69 63.00 3fpt s THR 36 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 3fpt s THR 36 CO 0.00 0.37 0.18 -0.89 -0.69 0.00 0.00 174.62 173.58 3fpt s THR 37 N 0.25 5.38 0.01 -0.82 2.01 -1.26 0.11 115.64 121.32 3fpt s THR 37 Ca 0.29 0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.60 3fpt s THR 37 Cb -0.17 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3fpt s THR 37 CO 0.14 0.42 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.86 3fpt s GLU 38 N 0.44 2.69 -0.08 4.92 2.02 -0.32 -4.94 118.70 123.41 3fpt s GLU 38 Ca 0.10 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.45 3fpt s GLU 38 Cb -0.12 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.51 3fpt s GLU 38 CO -0.00 0.61 -0.19 0.99 0.02 0.00 0.00 175.26 176.68 3fpt s THR 39 N -1.09 1.69 0.62 3.63 2.01 -1.26 -2.24 115.64 118.99 3fpt s THR 39 Ca 0.20 -0.81 -0.15 0.00 0.31 0.00 0.00 61.69 61.24 3fpt s THR 39 Cb -0.11 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 3fpt s THR 39 CO 0.11 0.48 1.06 0.00 -0.69 0.00 0.00 174.62 175.58 3fpt s ALA 40 N 0.44 2.68 0.15 7.40 0.00 0.02 -4.95 121.76 127.51 3fpt s ALA 40 Ca -0.16 0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.84 3fpt s ALA 40 Cb -0.17 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 3fpt s ALA 40 CO 0.07 -0.96 1.62 -2.14 0.00 0.00 0.00 175.76 174.34 3fpt s PRO 41 N -4.25 4.20 0.01 0.00 0.02 -1.26 -4.64 135.00 129.08 3fpt s PRO 41 Ca 0.63 2.40 -0.16 0.00 0.02 0.00 0.00 61.00 63.89 3fpt s PRO 41 Cb -0.16 -3.23 -0.08 0.00 0.02 0.00 0.00 34.50 31.04 3fpt s PRO 41 CO 0.41 -0.66 0.42 0.09 -0.33 0.00 0.00 177.00 176.93 3fpt n ASN 42 N 4.30 -0.09 0.00 2.53 3.02 -1.26 -2.38 115.26 121.38 3fpt n ASN 42 Ca 0.15 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 3fpt n ASN 42 Cb 0.38 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.68 3.28 3.69 7.41 0.00 0.34 -4.95 105.19 115.64 3fpt n GLY 43 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 3fpt n GLY 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fpt n THR 44 N -1.63 0.24 -1.61 2.61 -1.04 -1.00 -4.39 114.28 107.46 3fpt n THR 44 Ca 0.00 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 3fpt n THR 44 Cb 0.00 -1.70 0.01 0.00 -1.82 0.00 0.00 70.33 66.82 3fpt n THR 44 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3fpt n ARG 45 N 3.25 1.36 -3.70 -2.82 0.63 -1.26 0.01 116.66 114.13 3fpt n ARG 45 Ca 0.15 0.49 -0.08 0.00 -0.92 0.00 0.00 57.85 57.49 3fpt n ARG 45 Cb 0.32 -2.05 -0.02 0.00 0.45 0.00 0.00 32.46 31.15 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 -3.67 3.04 -1.22 0.00 0.08 -0.04 -1.21 117.98 114.96 3fpt s PHE 47 Ca 0.08 0.08 -0.07 0.00 0.12 0.00 0.00 56.93 57.14 3fpt s PHE 47 Cb -0.03 -1.69 0.21 0.00 -0.57 0.00 0.00 43.02 40.94 3fpt s PHE 47 CO -0.00 0.43 1.84 -1.13 -0.10 0.00 0.00 175.22 176.26 3fpt n SER 48 N 1.68 6.00 -0.03 1.36 3.41 0.19 -4.35 113.62 121.89 3fpt n SER 48 Ca -0.16 -3.24 0.02 0.00 -0.26 0.00 0.00 58.87 55.23 3fpt n SER 48 Cb 0.53 -1.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 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 2.34 0.00 0.00 -1.33 -5.35 -1.22 -4.84 119.36 108.95 3fpt n ILE 49 Ca 0.39 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 3fpt n ILE 49 Cb 0.33 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 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 0.98 -1.76 0.20 3.28 0.00 0.45 -3.20 105.19 105.14 3fpt n GLY 50 Ca 0.01 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 -0.47 -0.26 1.61 3.32 -1.94 0.72 116.42 119.40 3fpt h ASP 51 Ca 0.00 0.14 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 3fpt h ASP 51 Cb 0.00 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3fpt h ASP 51 CO 0.00 -0.17 -0.36 -0.33 -1.72 0.00 0.00 179.24 176.67 3fpt h GLU 52 N -0.02 0.79 -0.68 3.56 4.39 -1.98 -1.25 114.58 119.39 3fpt h GLU 52 Ca 0.21 -0.39 0.12 0.00 0.34 0.00 0.00 59.36 59.64 3fpt h GLU 52 Cb 0.35 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.88 3fpt h GLU 52 CO -0.47 1.02 -0.33 0.78 -1.16 0.00 0.00 179.01 178.85 3fpt h GLY 53 N 0.91 -0.02 0.39 -3.84 0.00 -1.47 -0.70 103.07 98.34 3fpt h GLY 53 Ca 0.06 0.43 0.06 0.00 0.00 0.00 0.00 47.33 47.89 3fpt h GLY 53 CO 0.08 -0.21 -0.10 -2.00 0.00 0.00 0.00 176.54 174.31 3fpt h LEU 54 N -0.12 -0.34 -0.80 3.11 5.85 -0.04 -3.19 115.31 119.78 3fpt h LEU 54 Ca 0.26 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 3fpt h LEU 54 Cb 0.56 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3fpt h LEU 54 CO -0.75 -0.13 0.33 0.03 -0.34 0.00 0.00 178.44 177.59 3fpt h ARG 55 N -0.04 1.19 -0.16 1.25 3.08 -0.19 -1.76 114.38 117.74 3fpt h ARG 55 Ca 0.14 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3fpt h ARG 55 Cb 0.25 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3fpt h ARG 55 CO -0.31 0.95 0.00 0.54 -1.07 0.00 0.00 179.97 180.08 3fpt n ARG 56 N -4.29 0.66 -4.00 0.04 1.74 -0.37 -4.80 116.66 105.64 3fpt n ARG 56 Ca 0.07 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.79 3fpt n ARG 56 Cb 0.18 -1.08 -0.07 0.00 -1.02 0.00 0.00 32.46 30.47 3fpt n ARG 56 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3fpt s MET 57 N -1.76 3.34 0.05 5.56 -1.94 -0.66 -5.04 119.30 118.84 3fpt s MET 57 Ca 0.00 -0.20 -0.31 0.00 -1.71 0.00 0.00 55.69 53.48 3fpt s MET 57 Cb 0.00 -3.10 -0.06 0.00 2.01 0.00 0.00 34.83 33.68 3fpt s MET 57 CO 0.00 0.75 1.28 0.99 -0.01 0.00 0.00 175.02 178.04 3fpt s THR 58 N -0.97 3.83 0.51 2.05 2.01 -1.26 -4.91 115.64 116.89 3fpt s THR 58 Ca 0.14 1.28 -0.20 0.00 0.31 0.00 0.00 61.69 63.22 3fpt s THR 58 Cb -0.12 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 3fpt s THR 58 CO 0.03 0.07 0.71 0.00 -0.69 0.00 0.00 174.62 174.74 3fpt n ALA 59 N 4.37 -0.70 -1.15 7.40 0.00 -1.26 -2.58 120.51 126.59 3fpt n ALA 59 Ca 0.11 0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.55 3fpt n ALA 59 Cb 0.45 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 3fpt n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fpt n ASN 60 N 0.44 -5.25 -4.62 0.00 3.02 0.31 -4.86 115.26 104.30 3fpt n ASN 60 Ca 0.11 0.18 -0.30 0.00 -0.03 0.00 0.00 54.58 54.54 3fpt n ASN 60 Cb 0.44 -3.68 -0.09 0.00 -0.61 0.00 0.00 39.78 35.84 3fpt n ASN 60 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3fpt s LEU 61 N -1.71 3.22 0.21 3.41 2.96 -1.07 -4.98 118.68 120.71 3fpt s LEU 61 Ca 0.00 -0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 53.37 3fpt s LEU 61 Cb 0.00 -1.98 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 3fpt s LEU 61 CO 0.00 0.18 0.79 -2.16 -1.32 0.00 0.00 176.35 173.83 3fpt s PRO 62 N -2.26 4.48 0.14 0.98 0.04 -1.26 -4.56 135.00 132.57 3fpt s PRO 62 Ca 0.23 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.46 3fpt s PRO 62 Cb -0.11 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 3fpt s PRO 62 CO 0.16 0.48 -0.19 0.71 0.04 0.00 0.00 177.00 178.19 3fpt s TYR 63 N -1.33 1.82 -0.31 0.56 2.02 -0.36 -4.91 117.35 114.84 3fpt s TYR 63 Ca 0.40 -0.45 -0.24 0.00 -0.37 0.00 0.00 57.07 56.41 3fpt s TYR 63 Cb -0.21 -0.94 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 3fpt s TYR 63 CO 0.24 0.28 0.83 -0.51 -1.57 0.00 0.00 175.55 174.83 3fpt s ASP 64 N -2.36 6.71 -0.11 2.29 1.01 -1.26 -0.08 116.67 122.86 3fpt s ASP 64 Ca 0.12 0.72 -0.05 0.00 0.71 0.00 0.00 52.55 54.05 3fpt s ASP 64 Cb -0.07 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 3fpt s ASP 64 CO 0.06 -0.65 0.08 0.00 0.21 0.00 0.00 175.17 174.86 3fpt s PRO 66 N -0.87 4.31 0.73 0.00 0.02 -1.26 -2.11 135.00 135.81 3fpt s PRO 66 Ca 0.13 1.22 -0.13 0.00 0.02 0.00 0.00 61.00 62.25 3fpt s PRO 66 Cb -0.12 -3.59 0.04 0.00 0.02 0.00 0.00 34.50 30.84 3fpt s PRO 66 CO 0.03 -0.44 1.12 -0.51 -0.33 0.00 0.00 177.00 176.87 3fpt s LEU 67 N 2.52 3.21 0.36 -5.54 1.43 -0.40 -0.63 118.68 119.63 3fpt s LEU 67 Ca 0.42 1.99 -0.17 0.00 -1.03 0.00 0.00 54.13 55.35 3fpt s LEU 67 Cb -0.16 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.56 3fpt s LEU 67 CO 0.11 -1.96 0.78 -0.83 0.23 0.00 0.00 176.35 174.68 3fpt s GLY 68 N -2.82 0.28 -0.01 -3.19 0.00 -0.35 -1.79 107.32 99.43 3fpt s GLY 68 Ca 0.66 -0.66 0.08 0.00 0.00 0.00 0.00 44.72 44.79 3fpt s GLY 68 CO 0.48 -0.25 -0.26 1.20 0.00 0.00 0.00 173.10 174.28 3fpt s GLN 69 N -2.61 2.05 0.28 2.90 -0.21 -0.72 -2.53 119.66 118.82 3fpt s GLN 69 Ca 0.15 -0.93 -0.29 0.00 0.02 0.00 0.00 55.36 54.31 3fpt s GLN 69 Cb -0.05 -2.00 -0.10 0.00 1.00 0.00 0.00 33.01 31.87 3fpt s GLN 69 CO 0.11 0.55 1.11 0.00 -2.12 0.00 0.00 175.29 174.93 3fpt s SER 71 N -0.87 0.23 -1.50 0.00 0.15 -0.24 0.13 113.70 111.60 3fpt s SER 71 Ca 0.45 0.43 -0.09 0.00 0.70 0.00 0.00 55.95 57.44 3fpt s SER 71 Cb -0.32 0.38 0.06 0.00 -1.71 0.00 0.00 66.02 64.43 3fpt s SER 71 CO 0.42 -0.20 0.72 -3.20 1.20 0.00 0.00 173.24 172.17 3fpt n ASN 72 N 4.83 -2.47 0.00 5.45 5.15 -1.26 -1.82 115.26 125.14 3fpt n ASN 72 Ca -0.15 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 3fpt n ASN 72 Cb 0.51 -3.39 0.00 0.00 -0.53 0.00 0.00 39.78 36.37 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 -1.69 1.00 3.38 8.20 0.00 -1.26 -5.04 105.19 109.78 3fpt n GLY 73 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.89 3.71 -0.36 1.61 1.01 -0.76 -4.23 116.67 114.77 3fpt s ASP 74 Ca 0.00 -0.34 -0.28 0.00 0.71 0.00 0.00 52.55 52.65 3fpt s ASP 74 Cb 0.00 -1.07 -0.03 0.00 1.01 0.00 0.00 42.92 42.82 3fpt s ASP 74 CO 0.00 0.26 1.98 0.00 0.21 0.00 0.00 175.17 177.62 3fpt s ILE 76 N 8.15 4.70 0.65 0.00 -1.09 -0.66 -4.89 121.20 128.06 3fpt s ILE 76 Ca 0.85 0.92 -0.16 0.00 -2.23 0.00 0.00 60.65 60.03 3fpt s ILE 76 Cb -0.23 -4.24 -0.00 0.00 -1.58 0.00 0.00 42.46 36.41 3fpt s ILE 76 CO 0.31 -0.47 1.15 -2.84 -1.23 0.00 0.00 174.94 171.86 3fpt s PRO 77 N 3.18 2.75 -0.13 2.79 0.02 -1.26 -1.75 135.00 140.60 3fpt s PRO 77 Ca 0.32 1.56 0.18 0.00 0.02 0.00 0.00 61.00 63.08 3fpt s PRO 77 Cb -0.13 -1.93 0.28 0.00 0.02 0.00 0.00 34.50 32.74 3fpt s PRO 77 CO 0.17 -1.32 1.15 0.36 -0.33 0.00 0.00 177.00 177.03 3fpt n LYS 78 N -2.22 1.24 0.00 5.54 2.85 -0.74 -4.82 118.16 120.00 3fpt n LYS 78 Ca 0.12 -2.53 0.00 0.00 -1.05 0.00 0.00 58.31 54.85 3fpt n LYS 78 Cb 0.51 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 3fpt n LYS 78 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3fpt n GLU 79 N -1.39 0.00 -2.36 -1.58 -0.58 -1.26 -4.92 120.64 108.55 3fpt n GLU 79 Ca 0.15 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.61 3fpt n GLU 79 Cb 0.64 -2.05 0.01 0.00 -0.57 0.00 0.00 31.44 29.48 3fpt n GLU 79 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3fpt s THR 80 N -2.44 4.54 0.16 2.62 -4.23 -1.26 -5.04 115.64 109.99 3fpt s THR 80 Ca 0.00 0.34 0.05 0.00 -1.18 0.00 0.00 61.69 60.91 3fpt s THR 80 Cb 0.00 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 3fpt s THR 80 CO 0.00 -0.84 -0.11 -0.31 -0.54 0.00 0.00 174.62 172.82 3fpt s TYR 81 N -2.93 1.37 0.00 3.99 2.02 -1.26 -1.28 117.35 119.26 3fpt s TYR 81 Ca 0.51 -0.71 -0.15 0.00 -0.37 0.00 0.00 57.07 56.36 3fpt s TYR 81 Cb -0.11 -0.68 0.02 0.00 -0.40 0.00 0.00 41.96 40.80 3fpt s TYR 81 CO 0.48 0.15 0.31 -2.00 -1.57 0.00 0.00 175.55 172.91 3fpt s GLU 82 N -3.66 0.71 -0.11 -0.62 2.12 -0.90 -4.83 118.70 111.41 3fpt s GLU 82 Ca 0.17 -0.28 -0.24 0.00 0.36 0.00 0.00 54.97 54.98 3fpt s GLU 82 Cb 0.01 0.31 -0.03 0.00 0.26 0.00 0.00 34.13 34.69 3fpt s GLU 82 CO 0.02 -0.20 0.77 0.08 -0.54 0.00 0.00 175.26 175.38 3fpt s VAL 83 N -1.65 4.97 0.21 3.70 1.01 -1.26 0.82 120.40 128.20 3fpt s VAL 83 Ca -0.11 1.54 -0.10 0.00 0.00 0.00 0.00 61.98 63.31 3fpt s VAL 83 Cb -0.04 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 3fpt s VAL 83 CO 0.02 0.16 0.37 0.00 0.00 0.00 0.00 175.10 175.65 3fpt s TYR 85 N -4.02 0.31 -0.31 0.00 2.02 0.10 -1.22 117.35 114.23 3fpt s TYR 85 Ca 0.23 -0.04 -0.14 0.00 -0.37 0.00 0.00 57.07 56.75 3fpt s TYR 85 Cb 0.02 -0.29 -0.03 0.00 -0.40 0.00 0.00 41.96 41.27 3fpt s TYR 85 CO 0.06 -0.06 0.34 0.50 -1.57 0.00 0.00 175.55 174.82 3fpt s ARG 86 N 0.38 3.76 -0.30 -0.62 3.52 -1.26 -1.94 118.95 122.49 3fpt s ARG 86 Ca -0.04 -0.26 -0.04 0.00 -0.13 0.00 0.00 55.73 55.26 3fpt s ARG 86 Cb -0.07 -3.74 0.03 0.00 -1.56 0.00 0.00 34.95 29.62 3fpt s ARG 86 CO -0.01 -0.39 0.04 1.03 -0.81 0.00 0.00 175.30 175.16 3fpt s ARG 87 N 1.99 2.71 0.81 5.12 1.81 -1.26 -0.53 118.95 129.60 3fpt s ARG 87 Ca 0.12 -1.09 -0.10 0.00 -1.72 0.00 0.00 55.73 52.93 3fpt s ARG 87 Cb -0.16 -3.27 0.11 0.00 -0.45 0.00 0.00 34.95 31.18 3fpt s ARG 87 CO 0.11 -0.55 1.15 -0.80 -0.68 0.00 0.00 175.30 174.53 3fpt s ASN 88 N 1.37 4.19 0.20 0.23 0.01 -1.26 -4.91 114.94 114.77 3fpt s ASN 88 Ca -0.01 0.41 -0.32 0.00 -0.71 0.00 0.00 52.86 52.22 3fpt s ASN 88 Cb -0.18 -0.81 -0.15 0.00 0.41 0.00 0.00 41.25 40.52 3fpt s ASN 88 CO 0.00 -2.04 1.30 1.87 -1.51 0.00 0.00 177.10 176.72 3fpt n TRP 89 N -3.27 1.75 -1.88 2.20 -0.00 -1.26 -0.42 117.44 114.57 3fpt n TRP 89 Ca 0.11 0.54 -0.19 0.00 -0.00 0.00 0.00 57.50 57.97 3fpt n TRP 89 Cb 0.60 -2.38 -0.05 0.00 -0.00 0.00 0.00 31.31 29.49 3fpt n TRP 89 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56 3fpt n ARG 90 N 1.99 -1.37 -0.59 5.87 3.00 -1.26 -2.21 116.66 122.09 3fpt n ARG 90 Ca 0.14 1.05 0.00 0.00 -0.00 0.00 0.00 57.85 59.04 3fpt n ARG 90 Cb 0.28 -5.44 0.00 0.00 0.00 0.00 0.00 32.46 27.30 3fpt n ARG 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3fpt n ASP 91 N -1.22 -1.89 -3.96 6.15 9.92 0.44 -4.91 116.55 121.07 3fpt n ASP 91 Ca -0.20 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.76 3fpt n ASP 91 Cb 0.63 -2.50 0.22 0.00 -0.64 0.00 0.00 41.12 38.83 3fpt n ASP 91 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3fpt s LYS 92 N -1.18 -0.43 0.60 -1.24 -2.85 -0.94 -4.67 119.74 109.03 3fpt s LYS 92 Ca 0.00 -0.20 -0.16 0.00 -1.00 0.00 0.00 55.97 54.62 3fpt s LYS 92 Cb 0.00 -1.70 -0.03 0.00 -2.06 0.00 0.00 37.83 34.03 3fpt s LYS 92 CO 0.00 -3.16 1.06 0.15 0.10 0.00 0.00 175.35 173.50 3fpt s LYS 93 N -5.60 3.30 0.66 1.78 1.02 -1.26 -4.24 119.74 115.40 3fpt s LYS 93 Ca 0.72 1.21 -0.16 0.00 0.02 0.00 0.00 55.97 57.75 3fpt s LYS 93 Cb -0.07 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 3fpt s LYS 93 CO 0.55 -0.83 1.18 0.54 -0.92 0.00 0.00 175.35 175.87 3fpt s ASN 94 N -2.79 4.80 0.00 2.83 6.03 -1.26 -4.97 114.94 119.58 3fpt s ASN 94 Ca 0.64 2.28 0.00 0.00 -1.03 0.00 0.00 52.86 54.75 3fpt s ASN 94 Cb -0.16 -2.58 0.00 0.00 -3.03 0.00 0.00 41.25 35.48 3fpt s ASN 94 CO 0.37 -1.85 0.00 1.41 -2.03 0.00 0.00 177.10 175.00