#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3a n SER 2 N 0.00 6.73 -4.74 1.61 2.88 -1.26 -4.97 113.62 113.87 1x3a n SER 2 Ca 0.00 -3.23 -0.36 0.00 -1.33 0.00 0.00 58.87 53.95 1x3a n SER 2 Cb 0.00 -1.06 0.05 0.00 -0.75 0.00 0.00 64.21 62.45 1x3a n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x3a s SER 3 N -0.21 4.85 0.00 -3.46 0.15 -1.26 -5.04 113.70 108.73 1x3a s SER 3 Ca 0.40 2.41 0.00 0.00 0.70 0.00 0.00 55.95 59.46 1x3a s SER 3 Cb 0.31 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1x3a s SER 3 CO -0.03 -1.82 0.00 0.61 1.20 0.00 0.00 173.24 173.20 1x3a n GLY 4 N 0.51 0.61 3.20 9.45 0.00 -1.26 -5.08 105.19 112.62 1x3a n GLY 4 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1x3a n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3a s SER 5 N -0.61 3.72 0.05 1.61 0.15 -1.26 -5.10 113.70 112.26 1x3a s SER 5 Ca 0.00 -0.60 -0.17 0.00 0.70 0.00 0.00 55.95 55.88 1x3a s SER 5 Cb 0.00 -1.60 0.03 0.00 -1.71 0.00 0.00 66.02 62.75 1x3a s SER 5 CO 0.00 -0.03 0.40 -0.44 1.20 0.00 0.00 173.24 174.37 1x3a s SER 6 N 1.36 -0.26 -0.30 5.45 0.01 -1.26 -5.16 113.70 113.54 1x3a s SER 6 Ca 0.04 -0.06 -0.17 0.00 1.31 0.00 0.00 55.95 57.08 1x3a s SER 6 Cb -0.14 0.42 0.18 0.00 0.21 0.00 0.00 66.02 66.69 1x3a s SER 6 CO -0.08 -0.67 1.17 -0.83 0.41 0.00 0.00 173.24 173.23 1x3a s GLY 7 N -2.08 -0.03 0.22 3.44 0.00 -1.26 -5.18 107.32 102.43 1x3a s GLY 7 Ca -0.05 3.23 0.01 0.00 0.00 0.00 0.00 44.72 47.92 1x3a s GLY 7 CO -0.03 3.59 0.26 -0.37 0.00 0.00 0.00 173.10 176.55 1x3a n THR 8 N 5.05 0.00 -0.98 0.90 5.66 -1.26 -5.03 114.28 118.62 1x3a n THR 8 Ca -0.08 -1.32 -0.14 0.00 -3.05 0.00 0.00 64.05 59.47 1x3a n THR 8 Cb 0.54 0.74 -0.07 0.00 -1.55 0.00 0.00 70.33 70.00 1x3a n THR 8 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1x3a n ASN 9 N -1.94 5.77 -4.24 1.09 6.94 -1.26 -4.76 115.26 116.86 1x3a n ASN 9 Ca 0.02 -2.74 -0.31 0.00 -0.02 0.00 0.00 54.58 51.54 1x3a n ASN 9 Cb 0.38 -1.24 -0.08 0.00 -2.36 0.00 0.00 39.78 36.48 1x3a n ASN 9 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1x3a n ASP 10 N 1.51 0.50 0.10 0.53 8.00 -1.26 -4.82 116.55 121.11 1x3a n ASP 10 Ca 0.32 -1.23 -0.04 0.00 0.71 0.00 0.00 54.79 54.56 1x3a n ASP 10 Cb 0.68 -1.88 0.01 0.00 -0.02 0.00 0.00 41.12 39.91 1x3a n ASP 10 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1x3a h GLU 11 N -1.83 0.00 -0.52 -1.24 4.81 -1.99 -3.18 114.58 110.63 1x3a h GLU 11 Ca -0.66 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.73 1x3a h GLU 11 Cb 1.40 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 1x3a h GLU 11 CO 0.69 0.80 0.43 1.49 -0.73 0.00 0.00 179.01 181.68 1x3a h GLU 12 N 0.00 0.00 0.12 1.92 4.57 -1.99 -1.01 114.58 118.19 1x3a h GLU 12 Ca -0.01 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 1x3a h GLU 12 Cb 1.47 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.04 1x3a h GLU 12 CO 0.10 0.00 -1.86 0.00 -1.18 0.00 0.00 179.01 176.08 1x3a h THR 13 N 0.00 0.78 -1.05 0.32 1.03 -1.93 -3.35 112.91 108.70 1x3a h THR 13 Ca 0.25 -2.48 0.43 0.00 -0.01 0.00 0.00 66.41 64.60 1x3a h THR 13 Cb 1.10 2.58 -0.17 0.00 -1.07 0.00 0.00 68.15 70.58 1x3a h THR 13 CO -0.00 0.83 0.58 -0.38 -0.01 0.00 0.00 175.52 176.54 1x3a n ILE 14 N -3.44 -0.40 0.05 0.00 5.41 -0.39 0.18 119.36 120.77 1x3a n ILE 14 Ca -0.27 1.99 -0.16 0.00 1.00 0.00 0.00 62.75 65.31 1x3a n ILE 14 Cb 1.05 -3.24 -0.07 0.00 -0.71 0.00 0.00 39.64 36.67 1x3a n ILE 14 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1x3a h GLN 15 N 0.00 0.55 -0.62 0.38 -0.00 -1.70 -3.08 115.11 110.64 1x3a h GLN 15 Ca 0.85 -0.58 0.07 0.00 -0.00 0.00 0.00 58.65 58.99 1x3a h GLN 15 Cb 2.32 0.16 -0.06 0.00 0.00 0.00 0.00 27.48 29.91 1x3a h GLN 15 CO -0.73 1.20 0.31 1.96 0.00 0.00 0.00 178.83 181.58 1x3a h GLN 16 N 0.31 0.56 -0.22 1.69 1.08 0.17 -2.04 115.11 116.66 1x3a h GLN 16 Ca -0.10 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 1x3a h GLN 16 Cb 1.62 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.91 1x3a h GLN 16 CO 0.18 0.37 0.06 1.96 -0.95 0.00 0.00 178.83 180.45 1x3a h GLN 17 N 0.57 0.35 -0.48 1.46 4.20 -1.35 -2.53 115.11 117.34 1x3a h GLN 17 Ca 0.29 -0.08 0.14 0.00 0.06 0.00 0.00 58.65 59.06 1x3a h GLN 17 Cb 0.23 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1x3a h GLN 17 CO -0.21 0.45 0.37 0.82 -0.67 0.00 0.00 178.83 179.59 1x3a h ILE 18 N 0.19 0.67 -0.03 2.54 2.04 -1.34 0.15 117.51 121.72 1x3a h ILE 18 Ca 0.07 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.77 1x3a h ILE 18 Cb 0.25 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1x3a h ILE 18 CO -0.00 0.00 -0.70 -0.07 0.00 0.00 0.00 178.15 177.38 1x3a h LEU 19 N 0.00 0.21 -1.26 1.44 3.38 -0.95 -3.15 115.31 114.98 1x3a h LEU 19 Ca 0.23 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1x3a h LEU 19 Cb 0.96 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1x3a h LEU 19 CO -0.00 0.84 0.47 0.00 0.09 0.00 0.00 178.44 179.83 1x3a h ALA 20 N 1.15 1.46 -0.38 1.53 0.00 -0.54 -1.78 119.26 120.70 1x3a h ALA 20 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1x3a h ALA 20 Cb 1.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1x3a h ALA 20 CO 0.10 0.49 0.15 -0.07 0.00 0.00 0.00 179.25 179.92 1x3a h LEU 21 N 0.99 0.49 -0.50 0.00 3.38 -1.49 -2.42 115.31 115.76 1x3a h LEU 21 Ca 0.26 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 1x3a h LEU 21 Cb -0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1x3a h LEU 21 CO -0.05 0.46 -0.14 0.28 0.09 0.00 0.00 178.44 179.08 1x3a h SER 22 N 0.54 0.99 0.02 -0.43 0.02 -1.41 -2.79 113.55 110.49 1x3a h SER 22 Ca 0.13 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1x3a h SER 22 Cb 0.13 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1x3a h SER 22 CO -0.01 1.13 -0.02 0.00 -1.14 0.00 0.00 176.83 176.78 1x3a h ALA 23 N 0.89 1.95 -1.43 3.77 0.00 -1.21 -3.43 119.26 119.81 1x3a h ALA 23 Ca 0.13 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.59 1x3a h ALA 23 Cb 0.70 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.51 1x3a h ALA 23 CO 0.05 0.03 -0.23 0.34 0.00 0.00 0.00 179.25 179.44 1x3a s ASP 24 N -7.05 5.58 0.00 0.00 2.15 -1.05 -5.04 116.67 111.26 1x3a s ASP 24 Ca -0.05 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.52 1x3a s ASP 24 Cb 0.17 -0.61 0.00 0.00 -0.30 0.00 0.00 42.92 42.18 1x3a s ASP 24 CO 0.67 -0.84 0.00 2.29 -0.17 0.00 0.00 175.17 177.12 1x3a n LYS 25 N -1.92 2.55 -0.22 4.34 -0.00 -1.26 -4.73 118.16 116.92 1x3a n LYS 25 Ca 0.09 0.00 0.21 0.00 -0.00 0.00 0.00 58.31 58.61 1x3a n LYS 25 Cb 0.59 -0.84 0.57 0.00 -0.00 0.00 0.00 35.03 35.35 1x3a n LYS 25 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 1x3a h ARG 26 N 0.00 0.28 -0.07 -1.58 -0.00 -1.96 0.38 114.38 111.43 1x3a h ARG 26 Ca 0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.98 59.86 1x3a h ARG 26 Cb 0.53 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.43 1x3a h ARG 26 CO 0.00 0.19 -0.41 -0.91 -0.00 0.00 0.00 179.97 178.83 1x3a h ASN 27 N 0.29 0.15 0.35 0.08 2.35 -1.88 0.42 115.58 117.34 1x3a h ASN 27 Ca 0.45 -0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.97 1x3a h ASN 27 Cb 1.29 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 1x3a h ASN 27 CO -0.13 0.55 -0.70 -0.26 -1.65 0.00 0.00 177.43 175.24 1x3a h PHE 28 N 0.12 0.40 0.03 1.19 0.04 -0.57 -3.24 116.94 114.92 1x3a h PHE 28 Ca 0.01 -0.17 -0.29 0.00 2.80 0.00 0.00 57.97 60.32 1x3a h PHE 28 Cb 0.79 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.84 1x3a h PHE 28 CO 0.01 0.90 -1.57 -0.07 -0.60 0.00 0.00 178.31 176.98 1x3a h LEU 29 N 0.21 0.11 -9.79 1.54 3.38 -1.19 -3.44 115.31 106.14 1x3a h LEU 29 Ca -0.02 -0.20 -0.52 0.00 0.09 0.00 0.00 57.88 57.23 1x3a h LEU 29 Cb 1.25 -0.04 0.04 0.00 0.09 0.00 0.00 40.66 42.00 1x3a h LEU 29 CO 0.11 1.17 0.61 -0.60 0.09 0.00 0.00 178.44 179.82 1x3a s ARG 30 N -2.62 4.42 0.04 1.13 3.52 0.15 -5.04 118.95 120.55 1x3a s ARG 30 Ca -0.06 2.07 0.08 0.00 -0.13 0.00 0.00 55.73 57.69 1x3a s ARG 30 Cb 0.08 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 30.30 1x3a s ARG 30 CO 0.82 -0.13 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.45 1x3a s ASP 31 N -0.24 2.63 0.96 -2.12 1.01 -1.26 -4.82 116.67 112.83 1x3a s ASP 31 Ca 0.51 -0.52 -0.12 0.00 0.71 0.00 0.00 52.55 53.13 1x3a s ASP 31 Cb -0.37 -0.23 0.17 0.00 1.01 0.00 0.00 42.92 43.49 1x3a s ASP 31 CO 0.45 0.20 1.09 -2.16 0.21 0.00 0.00 175.17 174.96 1x3a s PRO 32 N -1.10 0.75 1.15 8.23 0.04 -1.26 -5.05 135.00 137.76 1x3a s PRO 32 Ca 0.08 0.64 -0.17 0.00 0.04 0.00 0.00 61.00 61.59 1x3a s PRO 32 Cb -0.09 -1.76 0.26 0.00 0.04 0.00 0.00 34.50 32.95 1x3a s PRO 32 CO 0.01 -2.54 1.10 -1.25 0.04 0.00 0.00 177.00 174.36 1x3a s PRO 33 N -4.95 -0.77 -0.15 0.56 0.04 -1.26 -5.02 135.00 123.45 1x3a s PRO 33 Ca 0.65 0.10 -0.18 0.00 0.04 0.00 0.00 61.00 61.60 1x3a s PRO 33 Cb -0.18 -1.63 -0.23 0.00 0.04 0.00 0.00 34.50 32.49 1x3a s PRO 33 CO 0.57 -3.44 0.39 0.00 0.04 0.00 0.00 177.00 174.56 1x3a h ALA 34 N -2.39 0.25 -1.07 8.56 0.00 -2.05 -3.36 119.26 119.20 1x3a h ALA 34 Ca -0.48 -1.15 0.33 0.00 0.00 0.00 0.00 54.91 53.61 1x3a h ALA 34 Cb 1.31 0.60 -0.14 0.00 0.00 0.00 0.00 17.79 19.56 1x3a h ALA 34 CO 0.41 0.79 0.64 0.78 0.00 0.00 0.00 179.25 181.88 1x3a h GLY 35 N -0.29 1.80 -7.37 0.00 0.00 -2.06 -3.36 103.07 91.78 1x3a h GLY 35 Ca -0.32 -0.21 -0.51 0.00 0.00 0.00 0.00 47.33 46.29 1x3a h GLY 35 CO -0.06 -0.42 1.43 0.54 0.00 0.00 0.00 176.54 178.04 1x3a s VAL 36 N -5.57 3.25 -1.03 4.60 0.11 -1.26 -4.86 120.40 115.64 1x3a s VAL 36 Ca -0.09 0.19 -0.26 0.00 -2.93 0.00 0.00 61.98 58.89 1x3a s VAL 36 Cb 0.29 -3.55 -0.17 0.00 -1.53 0.00 0.00 36.38 31.42 1x3a s VAL 36 CO 0.80 -0.49 2.13 -1.58 -3.33 0.00 0.00 175.10 172.63 1x3a s GLN 37 N 7.08 1.57 -1.01 1.54 2.00 -1.26 -4.81 119.66 124.76 1x3a s GLN 37 Ca 0.81 -0.37 -0.04 0.00 -2.00 0.00 0.00 55.36 53.76 1x3a s GLN 37 Cb -0.17 -4.99 0.28 0.00 0.80 0.00 0.00 33.01 28.92 1x3a s GLN 37 CO 0.26 -4.91 1.15 0.34 -0.50 0.00 0.00 175.29 171.63 1x3a n PHE 38 N 18.24 3.76 -1.23 1.67 7.35 -1.26 -4.97 117.46 141.03 1x3a n PHE 38 Ca 0.43 -3.48 -0.32 0.00 -0.76 0.00 0.00 57.45 53.32 1x3a n PHE 38 Cb 0.46 -1.30 -0.10 0.00 0.35 0.00 0.00 39.48 38.89 1x3a n PHE 38 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1x3a n ASN 39 N 1.90 1.71 -4.60 -2.13 4.13 -1.26 -4.87 115.26 110.13 1x3a n ASN 39 Ca 0.25 -2.56 -0.42 0.00 1.68 0.00 0.00 54.58 53.53 1x3a n ASN 39 Cb 0.37 -1.22 -0.05 0.00 -1.54 0.00 0.00 39.78 37.34 1x3a n ASN 39 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1x3a s PHE 40 N 10.85 3.14 -1.16 3.10 5.36 -1.26 -4.98 117.98 133.03 1x3a s PHE 40 Ca 0.71 0.71 -0.09 0.00 -0.96 0.00 0.00 56.93 57.31 1x3a s PHE 40 Cb 0.06 -3.41 0.24 0.00 -0.34 0.00 0.00 43.02 39.57 1x3a s PHE 40 CO 0.22 -0.70 1.41 -0.25 -1.46 0.00 0.00 175.22 174.44 1x3a n ASP 41 N 6.45 5.58 -0.70 6.13 8.00 -1.26 -4.85 116.55 135.91 1x3a n ASP 41 Ca 0.05 -3.12 0.53 0.00 0.71 0.00 0.00 54.79 52.95 1x3a n ASP 41 Cb 0.48 -1.42 0.82 0.00 -0.02 0.00 0.00 41.12 40.98 1x3a n ASP 41 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1x3a h PHE 42 N 6.35 0.01 -0.34 1.24 3.57 -1.93 1.05 116.94 126.89 1x3a h PHE 42 Ca 0.26 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1x3a h PHE 42 Cb 0.77 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1x3a h PHE 42 CO 0.98 -0.01 0.21 -0.44 -2.23 0.00 0.00 178.31 176.83 1x3a h ASP 43 N 0.00 0.41 0.83 0.41 3.32 -1.99 1.90 116.42 121.30 1x3a h ASP 43 Ca 0.93 -0.05 -0.20 0.00 0.02 0.00 0.00 57.03 57.73 1x3a h ASP 43 Cb 3.73 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 43.14 1x3a h ASP 43 CO -0.02 0.34 -1.27 0.06 -1.72 0.00 0.00 179.24 176.63 1x3a h GLN 44 N 0.45 0.00 -0.00 3.56 3.07 0.58 -3.30 115.11 119.47 1x3a h GLN 44 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 1x3a h GLN 44 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1x3a h GLN 44 CO -0.02 0.53 -0.38 -1.33 0.09 0.00 0.00 178.83 177.72 1x3a n MET 45 N -3.08 0.33 0.44 0.06 2.81 0.43 -3.80 117.12 114.30 1x3a n MET 45 Ca -0.08 -0.18 -0.18 0.00 -1.81 0.00 0.00 57.70 55.45 1x3a n MET 45 Cb 0.91 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.83 1x3a n MET 45 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1x3a h TYR 46 N 0.44 -1.04 -0.38 2.03 3.20 0.29 -2.72 116.97 118.79 1x3a h TYR 46 Ca 0.00 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 1x3a h TYR 46 Cb 0.49 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1x3a h TYR 46 CO 0.00 -0.64 -0.39 -1.00 -1.64 0.00 0.00 178.16 174.50 1x3a h PRO 47 N -1.25 0.94 -0.12 1.82 0.13 -1.76 -2.96 132.00 128.80 1x3a h PRO 47 Ca -0.11 -0.50 0.03 0.00 -0.87 0.00 0.00 66.00 64.55 1x3a h PRO 47 Cb 0.86 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1x3a h PRO 47 CO 0.19 1.15 0.21 0.28 -0.23 0.00 0.00 178.00 179.60 1x3a h VAL 48 N 0.76 0.26 0.03 1.56 2.07 -1.66 0.42 116.25 119.69 1x3a h VAL 48 Ca 0.06 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.35 1x3a h VAL 48 Cb 0.98 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1x3a h VAL 48 CO 0.10 0.00 -0.98 0.00 0.02 0.00 0.00 177.57 176.70 1x3a h ALA 49 N 1.69 0.36 -1.00 1.67 0.00 -1.30 -3.26 119.26 117.41 1x3a h ALA 49 Ca 0.06 -0.75 0.15 0.00 0.00 0.00 0.00 54.91 54.36 1x3a h ALA 49 Cb 0.48 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 1x3a h ALA 49 CO -0.00 0.88 0.62 -0.07 0.00 0.00 0.00 179.25 180.68 1x3a h LEU 50 N 0.16 0.87 -1.42 0.00 -0.00 -0.97 0.76 115.31 114.73 1x3a h LEU 50 Ca -0.08 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1x3a h LEU 50 Cb 1.63 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 42.17 1x3a h LEU 50 CO 0.16 0.41 0.10 0.58 -0.00 0.00 0.00 178.44 179.70 1x3a h VAL 51 N 0.91 1.15 -0.20 1.22 2.07 -1.60 -2.75 116.25 117.05 1x3a h VAL 51 Ca 0.53 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1x3a h VAL 51 Cb 0.63 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1x3a h VAL 51 CO -0.31 0.19 -0.02 0.24 0.02 0.00 0.00 177.57 177.69 1x3a h MET 52 N 0.49 0.37 -0.67 1.57 2.86 -0.97 -3.25 114.93 115.33 1x3a h MET 52 Ca 0.12 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1x3a h MET 52 Cb 0.16 -0.03 -0.10 0.00 0.06 0.00 0.00 31.60 31.69 1x3a h MET 52 CO -0.01 0.59 -0.54 -0.07 1.06 0.00 0.00 176.91 177.94 1x3a h LEU 53 N 0.11 -1.89 -0.76 1.22 3.38 -1.14 0.20 115.31 116.43 1x3a h LEU 53 Ca 0.05 0.28 0.08 0.00 0.09 0.00 0.00 57.88 58.38 1x3a h LEU 53 Cb 0.43 0.82 -0.11 0.00 0.09 0.00 0.00 40.66 41.90 1x3a h LEU 53 CO 0.01 -0.33 -0.55 1.56 0.09 0.00 0.00 178.44 179.22 1x3a h GLN 54 N -0.21 -0.15 -0.15 1.13 1.08 -1.58 -0.49 115.11 114.73 1x3a h GLN 54 Ca 0.13 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 1x3a h GLN 54 Cb 0.53 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 1x3a h GLN 54 CO -0.75 -0.10 -0.06 0.93 -0.95 0.00 0.00 178.83 177.90 1x3a h GLU 55 N -0.16 -0.03 -4.67 1.46 4.39 -1.30 -3.35 114.58 110.92 1x3a h GLU 55 Ca 0.14 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.14 1x3a h GLU 55 Cb 0.50 0.01 -0.20 0.00 -0.10 0.00 0.00 28.75 28.96 1x3a h GLU 55 CO -0.80 -0.02 0.14 0.16 -1.16 0.00 0.00 179.01 177.32 1x3a s ASP 56 N -5.17 6.21 0.39 1.42 1.47 0.60 -4.89 116.67 116.69 1x3a s ASP 56 Ca -0.14 -1.49 0.17 0.00 1.18 0.00 0.00 52.55 52.27 1x3a s ASP 56 Cb 0.09 -2.30 0.78 0.00 -0.34 0.00 0.00 42.92 41.16 1x3a s ASP 56 CO 0.68 -1.10 1.81 1.05 0.68 0.00 0.00 175.17 178.29 1x3a h GLU 57 N 9.14 0.00 0.17 2.11 9.09 -1.70 -3.14 114.58 130.26 1x3a h GLU 57 Ca -0.27 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.13 1x3a h GLU 57 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1x3a h GLU 57 CO 1.09 0.36 -0.08 -0.07 0.05 0.00 0.00 179.01 180.36 1x3a h LEU 58 N 0.00 -0.20 -0.83 3.06 3.38 -1.90 -2.02 115.31 116.80 1x3a h LEU 58 Ca -0.00 -0.34 0.20 0.00 0.09 0.00 0.00 57.88 57.83 1x3a h LEU 58 Cb 0.73 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.38 1x3a h LEU 58 CO 0.05 0.34 0.05 0.25 0.09 0.00 0.00 178.44 179.22 1x3a h LEU 59 N -0.85 -0.32 0.09 1.67 5.85 -1.83 0.26 115.31 120.19 1x3a h LEU 59 Ca -0.02 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1x3a h LEU 59 Cb 0.52 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1x3a h LEU 59 CO 0.04 -0.21 -0.04 0.77 -0.34 0.00 0.00 178.44 178.65 1x3a h SER 60 N 0.10 -0.10 -0.89 1.25 4.64 -1.61 0.18 113.55 117.12 1x3a h SER 60 Ca 0.48 -0.33 0.16 0.00 -0.47 0.00 0.00 61.79 61.64 1x3a h SER 60 Cb 0.90 0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 62.91 1x3a h SER 60 CO -0.72 0.28 0.48 0.11 -0.87 0.00 0.00 176.83 176.11 1x3a h LYS 61 N -0.51 0.62 0.21 4.77 1.57 -0.35 -0.86 116.57 122.02 1x3a h LYS 61 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1x3a h LYS 61 Cb 0.42 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1x3a h LYS 61 CO 0.02 0.41 -0.10 0.52 -0.57 0.00 0.00 179.45 179.73 1x3a h MET 62 N 0.64 -0.27 -0.94 3.15 2.86 -0.50 -3.15 114.93 116.71 1x3a h MET 62 Ca 0.50 0.02 0.22 0.00 -2.06 0.00 0.00 59.70 58.38 1x3a h MET 62 Cb 0.75 0.06 -0.18 0.00 0.06 0.00 0.00 31.60 32.29 1x3a h MET 62 CO -0.38 -0.18 -0.11 -2.13 1.06 0.00 0.00 176.91 175.17 1x3a n ARG 63 N -4.71 -0.08 -0.31 1.72 0.63 0.62 0.19 116.66 114.71 1x3a n ARG 63 Ca -0.04 1.44 -0.01 0.00 -0.92 0.00 0.00 57.85 58.33 1x3a n ARG 63 Cb 0.11 -2.22 0.12 0.00 0.45 0.00 0.00 32.46 30.92 1x3a n ARG 63 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1x3a h PHE 64 N 0.00 1.02 -0.00 -0.14 3.57 -1.27 1.02 116.94 121.14 1x3a h PHE 64 Ca 0.51 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.04 1x3a h PHE 64 Cb 0.94 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1x3a h PHE 64 CO -0.60 0.56 -0.29 0.00 -2.23 0.00 0.00 178.31 175.74 1x3a n ALA 65 N -2.35 3.13 -0.22 2.41 0.00 0.43 -3.66 120.51 120.25 1x3a n ALA 65 Ca 0.11 -0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.24 1x3a n ALA 65 Cb 0.12 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.47 1x3a n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x3a n LEU 66 N -1.01 2.40 -3.64 0.00 4.77 0.51 -4.66 117.00 115.38 1x3a n LEU 66 Ca 0.10 -2.17 -0.07 0.00 -0.03 0.00 0.00 56.01 53.83 1x3a n LEU 66 Cb 0.33 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1x3a n LEU 66 CO 0.28 0.60 0.47 -0.69 -1.33 0.00 0.00 177.39 176.72 1x3a s VAL 67 N -1.31 0.00 -2.00 4.08 1.01 0.34 -0.30 120.40 122.22 1x3a s VAL 67 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 61.98 62.23 1x3a s VAL 67 Cb 0.08 -1.00 0.37 0.00 0.00 0.00 0.00 36.38 35.83 1x3a s VAL 67 CO 0.05 0.00 1.20 -0.81 0.00 0.00 0.00 175.10 175.55 1x3a n PRO 68 N 3.70 0.49 -0.18 2.72 -0.04 -1.26 -4.47 135.00 135.96 1x3a n PRO 68 Ca -0.18 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.23 1x3a n PRO 68 Cb 0.58 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 1x3a n PRO 68 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x3a n LYS 69 N -0.92 -0.19 0.00 0.54 0.00 -1.25 -3.32 118.16 113.02 1x3a n LYS 69 Ca 0.10 0.75 0.00 0.00 0.00 0.00 0.00 58.31 59.16 1x3a n LYS 69 Cb 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 35.03 33.97 1x3a n LYS 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1x3a n LEU 70 N -4.23 0.30 -4.58 3.14 4.77 0.59 -5.01 117.00 111.98 1x3a n LEU 70 Ca 0.01 0.24 -0.27 0.00 -0.03 0.00 0.00 56.01 55.96 1x3a n LEU 70 Cb 0.11 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.69 1x3a n LEU 70 CO -0.07 -0.41 -0.26 0.68 -1.33 0.00 0.00 177.39 176.00 1x3a s VAL 71 N -0.82 1.32 0.41 4.08 -7.23 -1.16 -4.99 120.40 112.01 1x3a s VAL 71 Ca 0.00 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.93 1x3a s VAL 71 Cb 0.00 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 1x3a s VAL 71 CO 0.00 0.00 1.06 -0.54 -0.31 0.00 0.00 175.10 175.31 1x3a s LYS 72 N -3.80 4.12 0.20 4.82 3.01 -1.26 -4.07 119.74 122.75 1x3a s LYS 72 Ca 0.27 1.54 -0.20 0.00 -1.01 0.00 0.00 55.97 56.58 1x3a s LYS 72 Cb 0.07 -2.52 0.15 0.00 -1.01 0.00 0.00 37.83 34.52 1x3a s LYS 72 CO 0.13 -0.19 1.46 -1.91 0.51 0.00 0.00 175.35 175.35 1x3a n GLU 73 N -0.13 -0.27 0.17 1.68 2.13 -1.26 -0.34 120.64 122.63 1x3a n GLU 73 Ca 0.05 1.44 -0.16 0.00 0.66 0.00 0.00 57.16 59.16 1x3a n GLU 73 Cb 0.49 -2.13 -0.08 0.00 0.27 0.00 0.00 31.44 29.99 1x3a n GLU 73 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1x3a h GLU 74 N 0.00 -0.72 -0.28 5.31 4.81 -1.98 -1.12 114.58 120.60 1x3a h GLU 74 Ca 0.28 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.63 1x3a h GLU 74 Cb 0.52 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.98 1x3a h GLU 74 CO -0.92 -0.48 -0.32 0.28 -0.73 0.00 0.00 179.01 176.84 1x3a h VAL 75 N -0.75 0.26 -0.49 0.32 2.07 -1.27 -1.03 116.25 115.37 1x3a h VAL 75 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1x3a h VAL 75 Cb 0.72 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 1x3a h VAL 75 CO -0.17 0.00 -0.14 0.15 0.02 0.00 0.00 177.57 177.42 1x3a h PHE 76 N -0.31 -0.32 0.00 1.57 3.04 -0.42 0.72 116.94 121.22 1x3a h PHE 76 Ca 0.14 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1x3a h PHE 76 Cb 0.54 0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.26 1x3a h PHE 76 CO -0.48 -0.23 0.00 0.91 -2.02 0.00 0.00 178.31 176.49 1x3a n TRP 77 N -5.37 0.46 -0.08 0.41 5.03 -0.45 -1.04 117.44 116.40 1x3a n TRP 77 Ca 0.04 0.21 -0.15 0.00 3.03 0.00 0.00 57.50 60.63 1x3a n TRP 77 Cb 0.27 -0.84 -0.10 0.00 -1.03 0.00 0.00 31.31 29.62 1x3a n TRP 77 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 1x3a h ARG 78 N 0.00 0.00 -0.42 -0.99 1.12 0.17 -3.26 114.38 111.00 1x3a h ARG 78 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.73 1x3a h ARG 78 Cb 0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 1x3a h ARG 78 CO 0.00 0.79 -0.29 -2.95 -3.11 0.00 0.00 179.97 174.41 1x3a h ASN 79 N -1.00 0.94 0.19 -3.80 7.08 -0.99 -2.88 115.58 115.12 1x3a h ASN 79 Ca -0.16 -0.39 -0.01 0.00 -3.08 0.00 0.00 56.30 52.67 1x3a h ASN 79 Cb 0.98 -0.26 -0.01 0.00 -2.08 0.00 0.00 38.32 36.96 1x3a h ASN 79 CO -0.10 1.16 -0.17 0.22 -2.08 0.00 0.00 177.43 176.47 1x3a h TYR 80 N 0.77 -0.45 -0.35 4.14 3.20 -1.27 -2.69 116.97 120.32 1x3a h TYR 80 Ca 0.09 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1x3a h TYR 80 Cb 0.86 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 39.22 1x3a h TYR 80 CO 0.05 -0.23 -0.55 0.74 -1.64 0.00 0.00 178.16 176.54 1x3a h PHE 81 N -0.35 -1.67 -0.75 -3.82 0.04 -1.65 -1.57 116.94 107.17 1x3a h PHE 81 Ca -0.02 0.08 0.10 0.00 2.80 0.00 0.00 57.97 60.92 1x3a h PHE 81 Cb 0.30 0.77 -0.11 0.00 2.20 0.00 0.00 35.95 39.11 1x3a h PHE 81 CO -0.08 -0.50 -0.34 0.98 -0.60 0.00 0.00 178.31 177.76 1x3a n TYR 82 N -5.39 -0.09 -0.34 -0.55 9.36 -1.09 0.23 117.16 119.30 1x3a n TYR 82 Ca -0.04 0.93 0.02 0.00 3.32 0.00 0.00 57.90 62.13 1x3a n TYR 82 Cb 0.35 -0.71 0.19 0.00 -0.63 0.00 0.00 39.34 38.54 1x3a n TYR 82 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1x3a h ARG 83 N 0.00 1.11 0.41 2.98 2.47 -0.96 -2.86 114.38 117.54 1x3a h ARG 83 Ca 0.22 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 1x3a h ARG 83 Cb 0.41 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1x3a h ARG 83 CO -0.73 0.74 -0.20 0.28 0.56 0.00 0.00 179.97 180.62 1x3a h VAL 84 N 1.15 0.52 -1.00 2.04 2.07 0.35 -2.99 116.25 118.40 1x3a h VAL 84 Ca 0.40 -0.48 0.37 0.00 0.82 0.00 0.00 66.70 67.81 1x3a h VAL 84 Cb 0.11 0.73 -0.17 0.00 -1.52 0.00 0.00 31.29 30.44 1x3a h VAL 84 CO -0.14 0.08 0.50 -1.28 0.02 0.00 0.00 177.57 176.74 1x3a h SER 85 N -0.86 0.30 -0.51 0.57 0.87 -0.25 1.35 113.55 115.02 1x3a h SER 85 Ca -0.06 0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 1x3a h SER 85 Cb 0.55 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1x3a h SER 85 CO 0.09 -0.33 0.01 -0.07 -0.53 0.00 0.00 176.83 176.00 1x3a h LEU 86 N 0.10 0.91 0.18 2.23 3.38 -1.42 0.13 115.31 120.82 1x3a h LEU 86 Ca 0.79 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 1x3a h LEU 86 Cb 1.96 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1x3a h LEU 86 CO -0.73 0.97 -0.09 0.40 0.09 0.00 0.00 178.44 179.08 1x3a h ILE 87 N 0.87 0.91 0.32 1.22 2.04 0.18 -1.48 117.51 121.58 1x3a h ILE 87 Ca 0.16 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 1x3a h ILE 87 Cb 0.50 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1x3a h ILE 87 CO 0.02 0.19 -0.15 0.11 0.00 0.00 0.00 178.15 178.32 1x3a h LYS 88 N -0.72 -0.41 0.01 2.37 1.57 -1.00 -3.15 116.57 115.24 1x3a h LYS 88 Ca -0.03 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1x3a h LYS 88 Cb 0.50 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1x3a h LYS 88 CO 0.04 -0.24 -0.29 0.37 -0.57 0.00 0.00 179.45 178.77 1x3a h GLN 89 N -0.49 -0.42 -1.41 3.15 -0.00 -0.85 -1.19 115.11 113.90 1x3a h GLN 89 Ca -0.04 0.03 0.47 0.00 -0.00 0.00 0.00 58.65 59.11 1x3a h GLN 89 Cb 0.37 0.10 -0.12 0.00 0.00 0.00 0.00 27.48 27.82 1x3a h GLN 89 CO 0.07 -0.28 0.93 0.43 0.00 0.00 0.00 178.83 179.98 1x3a n SER 90 N -5.39 0.16 -4.57 -0.69 7.64 -0.55 -3.18 113.62 107.03 1x3a n SER 90 Ca -0.05 1.25 -0.40 0.00 1.01 0.00 0.00 58.87 60.68 1x3a n SER 90 Cb 0.31 -0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 1x3a n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x3a s ALA 91 N -5.09 2.88 0.12 -0.43 0.00 -0.45 -4.85 121.76 113.94 1x3a s ALA 91 Ca -0.07 -2.55 -0.25 0.00 0.00 0.00 0.00 51.96 49.09 1x3a s ALA 91 Cb 0.29 -4.61 0.08 0.00 0.00 0.00 0.00 23.12 18.88 1x3a s ALA 91 CO 0.79 -3.69 1.08 -0.65 0.00 0.00 0.00 175.76 173.29 1x3a s GLN 92 N 4.86 1.01 0.21 0.00 -0.21 -1.19 -5.03 119.66 119.31 1x3a s GLN 92 Ca 0.54 -0.60 -0.30 0.00 0.02 0.00 0.00 55.36 55.02 1x3a s GLN 92 Cb 0.02 0.31 -0.08 0.00 1.00 0.00 0.00 33.01 34.26 1x3a s GLN 92 CO 0.02 -0.47 1.10 -0.51 -2.12 0.00 0.00 175.29 173.31 1x3a s LEU 93 N -3.17 4.52 0.74 2.90 1.02 -1.26 -5.00 118.68 118.42 1x3a s LEU 93 Ca 0.17 2.15 -0.15 0.00 0.02 0.00 0.00 54.13 56.32 1x3a s LEU 93 Cb -0.00 -3.61 0.04 0.00 0.02 0.00 0.00 46.19 42.64 1x3a s LEU 93 CO 0.02 -0.18 1.23 1.07 0.02 0.00 0.00 176.35 178.51 1x3a n THR 94 N 1.94 3.23 -3.62 5.49 5.66 -1.26 -5.04 114.28 120.69 1x3a n THR 94 Ca 0.01 -0.33 -0.10 0.00 -3.05 0.00 0.00 64.05 60.58 1x3a n THR 94 Cb 0.46 -1.31 -0.03 0.00 -1.55 0.00 0.00 70.33 67.89 1x3a n THR 94 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1x3a s SER 95 N -1.81 -0.39 0.01 1.09 0.01 -1.26 -5.18 113.70 106.17 1x3a s SER 95 Ca 0.77 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.75 1x3a s SER 95 Cb -0.33 0.61 -0.01 0.00 0.21 0.00 0.00 66.02 66.50 1x3a s SER 95 CO 0.46 -1.06 -0.04 -0.83 0.41 0.00 0.00 173.24 172.18 1x3a s GLY 96 N -2.83 0.24 0.12 3.44 0.00 -1.26 -5.02 107.32 102.01 1x3a s GLY 96 Ca 0.06 -0.31 0.19 0.00 0.00 0.00 0.00 44.72 44.65 1x3a s GLY 96 CO -0.06 -0.31 1.57 -1.55 0.00 0.00 0.00 173.10 172.75 1x3a n PRO 97 N 2.55 0.09 -1.23 2.90 -0.04 -1.26 -4.87 135.00 133.14 1x3a n PRO 97 Ca -0.16 0.34 -0.48 0.00 -0.04 0.00 0.00 63.50 63.16 1x3a n PRO 97 Cb 0.58 -1.68 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1x3a n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x3a n SER 98 N -1.85 -0.16 -4.58 3.54 7.64 -1.26 -4.67 113.62 112.28 1x3a n SER 98 Ca 0.03 0.96 -0.45 0.00 1.01 0.00 0.00 58.87 60.42 1x3a n SER 98 Cb 0.19 -0.77 -0.04 0.00 -1.01 0.00 0.00 64.21 62.59 1x3a n SER 98 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x3a n SER 99 N 1.31 3.11 0.00 6.43 7.64 -1.26 -5.27 113.62 125.57 1x3a n SER 99 Ca 0.16 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1x3a n SER 99 Cb 0.09 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.81 1x3a n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64