#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dai n SER 2 N 0.00 -5.78 -3.82 1.61 7.64 -1.26 -5.06 113.62 106.96 2dai n SER 2 Ca 0.00 0.68 -0.07 0.00 1.01 0.00 0.00 58.87 60.49 2dai n SER 2 Cb 0.00 -3.11 -0.02 0.00 -1.01 0.00 0.00 64.21 60.08 2dai n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dai s SER 3 N -6.46 -0.24 0.00 6.43 0.01 -1.26 -5.19 113.70 106.99 2dai s SER 3 Ca 0.00 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2dai s SER 3 Cb 0.00 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2dai s SER 3 CO 0.00 -1.36 0.00 0.61 0.41 0.00 0.00 173.24 172.90 2dai n GLY 4 N -0.46 1.65 3.44 3.44 0.00 -1.26 -5.19 105.19 106.81 2dai n GLY 4 Ca -0.04 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 2dai n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dai s SER 5 N -0.95 2.24 0.25 1.61 0.01 -1.26 -5.17 113.70 110.43 2dai s SER 5 Ca 0.00 -1.40 0.01 0.00 1.31 0.00 0.00 55.95 55.87 2dai s SER 5 Cb 0.00 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.18 2dai s SER 5 CO 0.00 -0.65 0.11 -0.94 0.41 0.00 0.00 173.24 172.17 2dai s SER 6 N -3.47 0.93 0.00 2.44 1.04 -1.26 -5.17 113.70 108.20 2dai s SER 6 Ca 0.36 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2dai s SER 6 Cb 0.08 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2dai s SER 6 CO 0.15 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2dai n GLY 7 N -0.42 1.80 3.71 7.32 0.00 -1.26 -5.16 105.19 111.18 2dai n GLY 7 Ca 0.01 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 2dai n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dai s ASP 8 N -1.00 -0.25 0.32 1.61 2.15 -1.26 -5.19 116.67 113.05 2dai s ASP 8 Ca 0.00 -0.34 -0.05 0.00 0.43 0.00 0.00 52.55 52.59 2dai s ASP 8 Cb 0.00 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 2dai s ASP 8 CO 0.00 -0.93 0.47 0.00 -0.17 0.00 0.00 175.17 174.54 2dai s ALA 9 N -3.38 0.53 -0.28 3.66 0.00 -1.26 -5.18 121.76 115.86 2dai s ALA 9 Ca 0.10 -1.37 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 2dai s ALA 9 Cb -0.02 1.13 0.10 0.00 0.00 0.00 0.00 23.12 24.33 2dai s ALA 9 CO 0.00 -0.80 0.88 0.54 0.00 0.00 0.00 175.76 176.38 2dai s VAL 10 N -3.28 0.00 0.37 0.00 0.11 -1.26 -5.18 120.40 111.16 2dai s VAL 10 Ca 0.29 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.39 2dai s VAL 10 Cb -0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 2dai s VAL 10 CO 0.17 0.00 0.04 -1.83 -3.33 0.00 0.00 175.10 170.15 2dai s GLU 11 N 0.31 1.81 0.50 1.54 -1.05 -1.26 -5.16 118.70 115.39 2dai s GLU 11 Ca 0.02 -2.02 0.05 0.00 -0.15 0.00 0.00 54.97 52.87 2dai s GLU 11 Cb -0.05 -1.19 0.01 0.00 -0.44 0.00 0.00 34.13 32.45 2dai s GLU 11 CO -0.03 -0.15 0.27 -0.48 0.95 0.00 0.00 175.26 175.83 2dai s LEU 12 N -3.60 2.74 0.25 1.83 2.34 -1.26 -5.16 118.68 115.84 2dai s LEU 12 Ca 0.34 -1.27 0.01 0.00 0.06 0.00 0.00 54.13 53.28 2dai s LEU 12 Cb 0.09 -1.20 -0.04 0.00 -0.56 0.00 0.00 46.19 44.48 2dai s LEU 12 CO 0.16 -0.91 0.14 0.12 -1.06 0.00 0.00 176.35 174.80 2dai s PHE 13 N -2.74 1.43 0.09 3.48 5.36 -1.26 -5.17 117.98 119.18 2dai s PHE 13 Ca 0.31 -1.34 -0.25 0.00 -0.96 0.00 0.00 56.93 54.69 2dai s PHE 13 Cb -0.00 -0.75 0.09 0.00 -0.34 0.00 0.00 43.02 42.01 2dai s PHE 13 CO 0.18 -0.53 1.15 -1.59 -1.46 0.00 0.00 175.22 172.97 2dai s LYS 14 N -3.98 0.90 0.48 10.12 -2.85 -1.26 -5.16 119.74 117.99 2dai s LYS 14 Ca 0.38 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.77 2dai s LYS 14 Cb 0.06 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 2dai s LYS 14 CO 0.15 -0.42 0.00 1.63 0.10 0.00 0.00 175.35 176.81 2dai n LYS 15 N -0.77 -2.70 -2.60 1.78 5.02 -1.26 -4.99 118.16 112.64 2dai n LYS 15 Ca -0.01 2.19 -0.05 0.00 -2.02 0.00 0.00 58.31 58.43 2dai n LYS 15 Cb 0.59 -3.04 -0.04 0.00 -0.02 0.00 0.00 35.03 32.53 2dai n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dai n ALA 16 N -3.54 -3.21 0.00 7.82 0.00 -1.26 -4.96 120.51 115.35 2dai n ALA 16 Ca -0.06 1.97 0.00 0.00 0.00 0.00 0.00 53.44 55.35 2dai n ALA 16 Cb 0.50 -3.97 0.00 0.00 0.00 0.00 0.00 19.45 15.98 2dai n ALA 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2dai n ASN 17 N 1.82 0.00 -4.62 0.00 2.85 -1.26 -5.14 115.26 108.91 2dai n ASN 17 Ca -0.33 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 53.79 2dai n ASN 17 Cb 0.51 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.63 2dai n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dai n ALA 18 N 0.00 -0.32 -2.05 5.20 0.00 -1.26 -4.99 120.51 117.10 2dai n ALA 18 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 53.44 52.93 2dai n ALA 18 Cb 0.00 -2.13 0.03 0.00 0.00 0.00 0.00 19.45 17.35 2dai n ALA 18 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2dai s MET 19 N -3.51 2.96 -0.41 0.00 -1.94 -1.26 -5.06 119.30 110.08 2dai s MET 19 Ca 0.72 0.11 0.02 0.00 -1.71 0.00 0.00 55.69 54.83 2dai s MET 19 Cb -0.33 -2.23 0.12 0.00 2.01 0.00 0.00 34.83 34.41 2dai s MET 19 CO 0.51 -0.73 0.19 -0.51 -0.01 0.00 0.00 175.02 174.47 2dai s LEU 20 N -5.05 2.95 0.20 -0.03 1.02 -1.26 -5.00 118.68 111.51 2dai s LEU 20 Ca 0.54 -2.39 0.00 0.00 0.02 0.00 0.00 54.13 52.30 2dai s LEU 20 Cb -0.11 -1.12 0.00 0.00 0.02 0.00 0.00 46.19 44.99 2dai s LEU 20 CO 0.47 -0.31 0.00 0.47 0.02 0.00 0.00 176.35 177.00 2dai n ASP 21 N 3.87 -8.15 -2.83 2.29 9.92 -1.26 -4.93 116.55 115.46 2dai n ASP 21 Ca 0.05 1.20 -0.25 0.00 -0.53 0.00 0.00 54.79 55.27 2dai n ASP 21 Cb 0.37 -4.53 -0.02 0.00 -0.64 0.00 0.00 41.12 36.30 2dai n ASP 21 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2dai n GLU 22 N 1.50 2.89 -4.15 -1.24 0.00 -1.26 -5.04 120.64 113.33 2dai n GLU 22 Ca 0.00 -4.49 -0.10 0.00 0.00 0.00 0.00 57.16 52.57 2dai n GLU 22 Cb 0.00 -2.12 -0.10 0.00 0.00 0.00 0.00 31.44 29.22 2dai n GLU 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2dai s ASP 23 N -3.34 1.01 -0.09 -1.84 -1.08 -1.26 -5.15 116.67 104.92 2dai s ASP 23 Ca 0.46 -1.00 0.03 0.00 -0.52 0.00 0.00 52.55 51.52 2dai s ASP 23 Cb 0.33 0.11 -0.01 0.00 -1.46 0.00 0.00 42.92 41.89 2dai s ASP 23 CO -0.13 -0.49 -0.18 -1.61 0.52 0.00 0.00 175.17 173.27 2dai s GLU 24 N -3.83 2.94 -0.28 4.34 8.01 -1.26 -5.10 118.70 123.53 2dai s GLU 24 Ca 0.11 -0.78 -0.28 0.00 0.01 0.00 0.00 54.97 54.02 2dai s GLU 24 Cb 0.06 -2.40 0.19 0.00 -4.31 0.00 0.00 34.13 27.66 2dai s GLU 24 CO -0.06 0.33 1.34 0.34 0.01 0.00 0.00 175.26 177.23 2dai s ASP 25 N 0.00 -0.07 -1.07 -0.19 2.15 -1.26 -5.05 116.67 111.18 2dai s ASP 25 Ca -0.06 0.09 -0.20 0.00 0.43 0.00 0.00 52.55 52.81 2dai s ASP 25 Cb -0.15 0.07 -0.07 0.00 -0.30 0.00 0.00 42.92 42.47 2dai s ASP 25 CO 0.05 -0.06 1.97 -0.62 -0.17 0.00 0.00 175.17 176.35 2dai n GLU 26 N 0.72 2.03 -3.92 4.34 1.02 -1.26 -4.84 120.64 118.73 2dai n GLU 26 Ca -0.03 -2.31 -0.11 0.00 -0.02 0.00 0.00 57.16 54.69 2dai n GLU 26 Cb 0.58 -3.23 -0.13 0.00 -0.02 0.00 0.00 31.44 28.64 2dai n GLU 26 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2dai s ARG 27 N 4.79 0.13 0.92 3.49 1.70 -1.26 -5.15 118.95 123.57 2dai s ARG 27 Ca 0.57 -0.22 -0.12 0.00 -0.47 0.00 0.00 55.73 55.49 2dai s ARG 27 Cb 0.10 0.01 0.14 0.00 -0.57 0.00 0.00 34.95 34.63 2dai s ARG 27 CO 0.07 -0.01 1.09 0.08 -1.08 0.00 0.00 175.30 175.46 2dai s VAL 28 N -0.51 2.51 0.08 4.99 1.01 -1.26 -5.01 120.40 122.20 2dai s VAL 28 Ca -0.05 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 2dai s VAL 28 Cb -0.04 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 2dai s VAL 28 CO -0.00 -0.22 0.65 -0.62 0.00 0.00 0.00 175.10 174.91 2dai s ASP 29 N -3.48 7.14 -0.06 3.32 2.15 -1.26 -4.97 116.67 119.50 2dai s ASP 29 Ca 0.64 1.35 -0.02 0.00 0.43 0.00 0.00 52.55 54.95 2dai s ASP 29 Cb -0.18 -2.41 -0.26 0.00 -0.30 0.00 0.00 42.92 39.77 2dai s ASP 29 CO 0.57 0.19 0.59 1.05 -0.17 0.00 0.00 175.17 177.40 2dai h GLU 30 N 4.84 0.22 0.21 4.34 4.11 -1.98 -2.98 114.58 123.34 2dai h GLU 30 Ca -0.47 -0.38 0.01 0.00 0.07 0.00 0.00 59.36 58.59 2dai h GLU 30 Cb 1.21 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2dai h GLU 30 CO 0.66 1.05 -0.25 0.00 0.07 0.00 0.00 179.01 180.54 2dai h ALA 31 N 0.38 -0.49 0.20 1.06 0.00 -2.00 -0.89 119.26 117.53 2dai h ALA 31 Ca -0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2dai h ALA 31 Cb 2.03 0.37 0.00 0.00 0.00 0.00 0.00 17.79 20.20 2dai h ALA 31 CO 0.12 -0.81 -0.10 0.00 0.00 0.00 0.00 179.25 178.46 2dai h ALA 32 N 0.18 -0.27 -0.98 0.00 0.00 -1.97 -2.37 119.26 113.84 2dai h ALA 32 Ca 0.01 -0.09 0.30 0.00 0.00 0.00 0.00 54.91 55.13 2dai h ALA 32 Cb 0.49 0.11 -0.18 0.00 0.00 0.00 0.00 17.79 18.20 2dai h ALA 32 CO -0.08 -0.62 0.14 1.25 0.00 0.00 0.00 179.25 179.94 2dai h LEU 33 N -0.34 -0.29 -0.42 0.00 5.85 -1.33 1.47 115.31 120.24 2dai h LEU 33 Ca -0.03 0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2dai h LEU 33 Cb 0.27 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2dai h LEU 33 CO 0.05 -0.36 0.21 -0.09 -0.34 0.00 0.00 178.44 177.90 2dai h ARG 34 N 0.02 0.61 -0.47 1.25 9.65 -0.67 0.38 114.38 125.14 2dai h ARG 34 Ca 0.65 -0.09 0.09 0.00 -1.10 0.00 0.00 59.98 59.53 2dai h ARG 34 Cb 1.42 -0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 29.81 2dai h ARG 34 CO -0.88 0.52 -0.06 1.96 2.80 0.00 0.00 179.97 184.32 2dai h GLN 35 N 0.54 0.05 0.35 0.20 4.20 0.25 1.28 115.11 121.98 2dai h GLN 35 Ca 0.15 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2dai h GLN 35 Cb 0.11 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2dai h GLN 35 CO -0.02 0.04 -0.17 -0.07 -0.67 0.00 0.00 178.83 177.94 2dai h LEU 36 N 0.06 -0.40 -1.92 1.46 3.38 -0.92 -1.50 115.31 115.46 2dai h LEU 36 Ca 0.23 0.01 0.37 0.00 0.09 0.00 0.00 57.88 58.59 2dai h LEU 36 Cb 0.35 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 2dai h LEU 36 CO -0.43 -0.22 0.92 0.71 0.09 0.00 0.00 178.44 179.50 2dai h THR 37 N -0.59 0.35 -0.18 0.22 1.35 -0.73 1.50 112.91 114.82 2dai h THR 37 Ca -0.05 -0.01 -0.15 0.00 -0.55 0.00 0.00 66.41 65.65 2dai h THR 37 Cb 0.36 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.08 2dai h THR 37 CO 0.08 0.01 -0.52 -0.33 -0.25 0.00 0.00 175.52 174.51 2dai h GLU 38 N 0.04 0.49 0.58 4.72 5.08 0.18 -3.31 114.58 122.37 2dai h GLU 38 Ca 0.63 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 2dai h GLU 38 Cb 2.43 0.03 0.01 0.00 0.50 0.00 0.00 28.75 31.72 2dai h GLU 38 CO -0.05 0.89 -0.28 0.52 -1.00 0.00 0.00 179.01 179.09 2dai h MET 39 N 0.39 -0.75 0.00 2.33 2.86 0.32 -3.47 114.93 116.60 2dai h MET 39 Ca 0.01 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2dai h MET 39 Cb 1.04 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2dai h MET 39 CO 0.09 -0.50 0.00 0.41 1.06 0.00 0.00 176.91 177.97 2dai n GLY 40 N -0.28 -0.45 3.05 8.32 0.00 -0.72 -5.11 105.19 110.00 2dai n GLY 40 Ca -0.10 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2dai n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dai s PHE 41 N 0.00 0.61 0.23 1.61 0.08 -1.23 -5.01 117.98 114.27 2dai s PHE 41 Ca 0.00 -0.49 -0.30 0.00 0.12 0.00 0.00 56.93 56.26 2dai s PHE 41 Cb 0.00 -0.37 -0.09 0.00 -0.57 0.00 0.00 43.02 41.99 2dai s PHE 41 CO 0.00 -0.10 1.10 -1.25 -0.10 0.00 0.00 175.22 174.87 2dai s PRO 42 N -1.52 4.62 0.21 0.24 0.04 -1.26 -3.99 135.00 133.34 2dai s PRO 42 Ca -0.10 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 2dai s PRO 42 Cb -0.10 -3.23 0.23 0.00 0.04 0.00 0.00 34.50 31.44 2dai s PRO 42 CO 0.00 0.15 1.61 1.49 0.04 0.00 0.00 177.00 180.29 2dai h GLU 43 N 4.47 -0.05 -0.20 4.56 4.22 -1.96 0.34 114.58 125.96 2dai h GLU 43 Ca -0.45 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.02 2dai h GLU 43 Cb 1.21 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2dai h GLU 43 CO 0.70 -0.03 -0.35 -0.97 -2.18 0.00 0.00 179.01 176.18 2dai h ASN 44 N -0.05 -1.16 0.13 1.04 -1.24 -1.98 1.25 115.58 113.58 2dai h ASN 44 Ca 0.30 0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.46 2dai h ASN 44 Cb 0.52 0.47 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 2dai h ASN 44 CO -0.70 -0.27 -0.19 0.03 -1.29 0.00 0.00 177.43 175.01 2dai h ARG 45 N -0.29 -0.33 -0.99 6.67 3.08 -1.60 0.24 114.38 121.16 2dai h ARG 45 Ca 0.04 0.02 0.28 0.00 0.07 0.00 0.00 59.98 60.39 2dai h ARG 45 Cb 0.40 0.07 -0.18 0.00 0.08 0.00 0.00 29.97 30.34 2dai h ARG 45 CO -0.35 -0.22 0.04 0.00 -1.07 0.00 0.00 179.97 178.38 2dai h ALA 46 N -1.34 1.20 0.88 0.04 0.00 -0.15 0.69 119.26 120.58 2dai h ALA 46 Ca -0.02 0.34 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2dai h ALA 46 Cb 0.31 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dai h ALA 46 CO -0.05 -0.58 -0.49 1.15 0.00 0.00 0.00 179.25 179.27 2dai h THR 47 N 0.01 0.00 0.18 0.00 2.02 0.23 0.64 112.91 115.99 2dai h THR 47 Ca 0.61 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.79 2dai h THR 47 Cb 1.26 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2dai h THR 47 CO -0.92 0.00 -0.49 0.50 0.37 0.00 0.00 175.52 174.98 2dai h LYS 48 N -1.27 -0.72 -0.85 6.66 3.64 0.29 -0.03 116.57 124.29 2dai h LYS 48 Ca -0.12 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2dai h LYS 48 Cb 1.00 0.16 -0.12 0.00 -0.41 0.00 0.00 32.23 32.87 2dai h LYS 48 CO 0.15 -0.48 -0.55 0.00 -2.27 0.00 0.00 179.45 176.31 2dai h ALA 49 N -0.68 -0.49 -0.69 5.00 0.00 0.21 0.68 119.26 123.30 2dai h ALA 49 Ca -0.02 0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.15 2dai h ALA 49 Cb 0.73 1.25 -0.13 0.00 0.00 0.00 0.00 17.79 19.64 2dai h ALA 49 CO -0.23 -0.93 -0.17 -0.07 0.00 0.00 0.00 179.25 177.85 2dai h LEU 50 N -0.09 -0.63 -2.05 0.00 3.38 -0.30 1.77 115.31 117.39 2dai h LEU 50 Ca 0.17 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.41 2dai h LEU 50 Cb 0.48 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2dai h LEU 50 CO -0.86 -0.22 0.17 1.56 0.09 0.00 0.00 178.44 179.18 2dai h GLN 51 N 0.00 0.00 -0.55 1.13 4.20 0.21 0.59 115.11 120.70 2dai h GLN 51 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2dai h GLN 51 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2dai h GLN 51 CO -0.70 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 178.74 2dai n LEU 52 N -4.34 4.03 -1.86 1.46 4.77 0.50 -4.23 117.00 117.33 2dai n LEU 52 Ca 0.02 -2.30 -0.01 0.00 -0.03 0.00 0.00 56.01 53.69 2dai n LEU 52 Cb 0.31 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2dai n LEU 52 CO 0.34 0.82 0.10 0.59 -1.33 0.00 0.00 177.39 177.91 2dai n ASN 53 N 0.90 1.86 -4.22 -1.43 3.02 0.45 -4.96 115.26 110.87 2dai n ASN 53 Ca 0.21 -2.57 -0.38 0.00 -0.03 0.00 0.00 54.58 51.81 2dai n ASN 53 Cb 0.72 -0.40 -0.07 0.00 -0.61 0.00 0.00 39.78 39.41 2dai n ASN 53 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2dai n HIS 54 N -0.29 -1.07 -3.39 3.10 -0.00 -0.78 0.63 115.22 113.42 2dai n HIS 54 Ca 0.14 0.61 -0.20 0.00 0.46 0.00 0.00 57.72 58.73 2dai n HIS 54 Cb 0.94 -1.67 0.06 0.00 -0.12 0.00 0.00 29.99 29.20 2dai n HIS 54 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2dai n MET 55 N -3.70 -2.03 -4.73 1.57 2.81 0.11 -5.00 117.12 106.15 2dai n MET 55 Ca 0.11 0.74 -0.33 0.00 -1.81 0.00 0.00 57.70 56.40 2dai n MET 55 Cb 0.41 -5.31 -0.13 0.00 -0.71 0.00 0.00 33.22 27.48 2dai n MET 55 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2dai s SER 56 N -3.44 4.31 -0.04 7.83 0.01 0.21 -5.01 113.70 117.57 2dai s SER 56 Ca 0.45 -0.16 -0.24 0.00 1.31 0.00 0.00 55.95 57.32 2dai s SER 56 Cb -0.09 -1.23 -0.24 0.00 0.21 0.00 0.00 66.02 64.67 2dai s SER 56 CO 0.78 0.29 1.03 0.58 0.41 0.00 0.00 173.24 176.33 2dai h VAL 57 N 4.64 1.53 0.16 3.43 2.07 -1.93 -2.78 116.25 123.37 2dai h VAL 57 Ca -0.41 -2.01 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 2dai h VAL 57 Cb 1.18 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 2dai h VAL 57 CO 0.54 0.56 -0.08 1.55 0.02 0.00 0.00 177.57 180.15 2dai h PRO 58 N -0.43 -0.21 -0.94 1.57 0.13 -1.97 -3.16 132.00 126.99 2dai h PRO 58 Ca -0.04 0.01 0.28 0.00 -0.87 0.00 0.00 66.00 65.38 2dai h PRO 58 Cb 1.09 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.11 2dai h PRO 58 CO 0.06 -0.14 0.25 1.96 -0.23 0.00 0.00 178.00 179.90 2dai h GLN 59 N -0.69 0.12 -0.04 0.86 4.20 -1.93 0.27 115.11 117.91 2dai h GLN 59 Ca -0.02 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2dai h GLN 59 Cb 0.17 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 2dai h GLN 59 CO 0.04 0.08 -0.46 0.00 -0.67 0.00 0.00 178.83 177.82 2dai h ALA 60 N 1.88 -0.74 -0.28 3.87 0.00 -1.59 -0.87 119.26 121.53 2dai h ALA 60 Ca 0.62 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.51 2dai h ALA 60 Cb 1.36 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 19.94 2dai h ALA 60 CO -0.74 -1.00 -0.21 0.52 0.00 0.00 0.00 179.25 177.81 2dai h MET 61 N -0.59 -0.06 -0.85 0.00 2.86 -0.42 0.48 114.93 116.35 2dai h MET 61 Ca 0.04 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.87 2dai h MET 61 Cb 0.67 0.01 -0.16 0.00 0.06 0.00 0.00 31.60 32.19 2dai h MET 61 CO -0.35 -0.04 -0.15 0.93 1.06 0.00 0.00 176.91 178.36 2dai h GLU 62 N -0.06 0.02 -0.80 1.72 4.39 -1.23 1.64 114.58 120.26 2dai h GLU 62 Ca 0.05 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.82 2dai h GLU 62 Cb 0.18 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.76 2dai h GLU 62 CO -0.29 0.01 0.47 2.35 -1.16 0.00 0.00 179.01 180.39 2dai h TRP 63 N 0.02 0.87 0.00 4.33 7.01 0.60 1.40 115.95 130.17 2dai h TRP 63 Ca 0.43 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.41 2dai h TRP 63 Cb 0.72 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 2dai h TRP 63 CO -0.60 0.41 -0.26 -0.07 -2.79 0.00 0.00 178.44 175.13 2dai h LEU 64 N 0.84 0.00 0.24 0.65 3.38 0.65 0.52 115.31 121.60 2dai h LEU 64 Ca 0.36 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.00 2dai h LEU 64 Cb 0.23 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.02 2dai h LEU 64 CO -0.20 0.26 -1.47 0.40 0.09 0.00 0.00 178.44 177.51 2dai h ILE 65 N 0.00 1.29 0.27 1.22 2.04 0.50 -2.42 117.51 120.41 2dai h ILE 65 Ca -0.00 -2.73 -0.01 0.00 1.00 0.00 0.00 64.86 63.11 2dai h ILE 65 Cb 0.63 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.75 2dai h ILE 65 CO 0.03 0.82 -0.13 -0.08 0.00 0.00 0.00 178.15 178.79 2dai h GLU 66 N 0.14 -0.35 0.00 2.37 4.22 0.20 -3.18 114.58 117.98 2dai h GLU 66 Ca -0.25 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.21 2dai h GLU 66 Cb 2.16 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.49 2dai h GLU 66 CO 0.27 -0.23 0.12 0.45 -2.18 0.00 0.00 179.01 177.44 2dai h HIS 67 N -1.02 0.00 -0.98 0.92 3.86 -0.14 -2.32 115.15 115.48 2dai h HIS 67 Ca -0.04 0.00 0.31 0.00 -1.16 0.00 0.00 60.37 59.48 2dai h HIS 67 Cb 0.28 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.57 2dai h HIS 67 CO 0.01 0.00 0.18 0.00 0.86 0.00 0.00 177.93 178.98 2dai h ALA 68 N 1.73 1.45 -0.17 2.45 0.00 -1.41 1.11 119.26 124.42 2dai h ALA 68 Ca 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 2dai h ALA 68 Cb 0.24 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dai h ALA 68 CO 0.00 -0.66 -0.46 0.93 0.00 0.00 0.00 179.25 179.06 2dai h GLU 69 N 0.03 0.61 -6.17 0.00 4.39 -1.61 -3.44 114.58 108.38 2dai h GLU 69 Ca 0.66 -0.43 -0.73 0.00 0.34 0.00 0.00 59.36 59.20 2dai h GLU 69 Cb 1.49 0.07 0.04 0.00 -0.10 0.00 0.00 28.75 30.24 2dai h GLU 69 CO -0.86 1.05 0.59 -3.47 -1.16 0.00 0.00 179.01 175.16 2dai n ASP 70 N -4.22 1.67 0.23 1.42 2.03 0.38 -4.81 116.55 113.25 2dai n ASP 70 Ca -0.07 1.11 0.14 0.00 0.52 0.00 0.00 54.79 56.50 2dai n ASP 70 Cb 0.57 -1.11 0.44 0.00 -0.72 0.00 0.00 41.12 40.30 2dai n ASP 70 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dai h PRO 71 N 5.36 0.00 -2.63 -0.67 0.13 -1.86 -3.33 132.00 129.00 2dai h PRO 71 Ca -0.47 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 2dai h PRO 71 Cb 1.34 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.11 2dai h PRO 71 CO 0.85 0.00 -0.06 0.25 -0.23 0.00 0.00 178.00 178.81 2dai n THR 72 N -2.96 3.44 -0.10 1.56 -2.24 -1.26 -4.72 114.28 108.01 2dai n THR 72 Ca 0.03 -5.44 -0.16 0.00 -2.27 0.00 0.00 64.05 56.21 2dai n THR 72 Cb 0.40 -2.14 -0.09 0.00 -2.10 0.00 0.00 70.33 66.41 2dai n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dai n ILE 73 N 1.25 1.13 0.28 2.28 3.06 -1.25 -4.65 119.36 121.45 2dai n ILE 73 Ca 0.27 -0.39 -0.14 0.00 -2.50 0.00 0.00 62.75 59.98 2dai n ILE 73 Cb 0.38 -1.34 -0.07 0.00 0.54 0.00 0.00 39.64 39.14 2dai n ILE 73 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2dai h ASP 74 N -0.19 -0.63 -4.36 9.51 1.82 -1.91 -3.48 116.42 117.19 2dai h ASP 74 Ca -0.46 -0.05 0.11 0.00 -0.39 0.00 0.00 57.03 56.25 2dai h ASP 74 Cb 1.62 0.16 -0.19 0.00 0.68 0.00 0.00 39.33 41.60 2dai h ASP 74 CO -0.13 -0.26 0.55 0.28 -1.61 0.00 0.00 179.24 178.07 2dai s THR 75 N -4.75 0.00 -0.16 2.25 -1.32 -1.26 -4.96 115.64 105.44 2dai s THR 75 Ca -0.14 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.05 2dai s THR 75 Cb 0.02 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.99 2dai s THR 75 CO 0.48 0.00 1.28 -2.16 -2.21 0.00 0.00 174.62 172.00 2dai s PRO 76 N -2.16 4.23 -0.18 7.08 0.04 -1.26 -4.82 135.00 137.94 2dai s PRO 76 Ca 0.03 1.68 -0.08 0.00 0.04 0.00 0.00 61.00 62.66 2dai s PRO 76 Cb -0.01 -3.77 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 2dai s PRO 76 CO -0.04 -0.71 0.10 -0.51 0.04 0.00 0.00 177.00 175.89 2dai s LEU 77 N 3.50 4.07 -0.28 -3.56 1.43 -1.26 -5.05 118.68 117.52 2dai s LEU 77 Ca 0.55 0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.56 2dai s LEU 77 Cb -0.22 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 43.97 2dai s LEU 77 CO 0.15 0.21 1.17 -0.44 0.23 0.00 0.00 176.35 177.67 2dai s SER 78 N 0.17 6.87 0.18 2.29 0.01 -1.26 -5.02 113.70 116.94 2dai s SER 78 Ca 0.07 1.22 0.08 0.00 1.31 0.00 0.00 55.95 58.64 2dai s SER 78 Cb -0.12 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2dai s SER 78 CO -0.00 -0.91 -0.17 -0.83 0.41 0.00 0.00 173.24 171.74 2dai s GLY 79 N 2.02 1.41 -0.04 3.44 0.00 -1.26 -5.08 107.32 107.81 2dai s GLY 79 Ca 0.50 -1.56 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 2dai s GLY 79 CO 0.17 -1.63 0.35 -0.56 0.00 0.00 0.00 173.10 171.43 2dai h PRO 80 N 2.97 -0.22 -7.14 2.90 0.13 -2.06 -3.46 132.00 125.12 2dai h PRO 80 Ca -0.40 0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.20 2dai h PRO 80 Cb 1.21 0.05 0.14 0.00 0.13 0.00 0.00 31.00 32.54 2dai h PRO 80 CO 0.55 -0.15 0.44 0.45 -0.23 0.00 0.00 178.00 179.06 2dai s SER 81 N -4.39 4.58 0.22 1.44 0.15 -1.26 -5.03 113.70 109.40 2dai s SER 81 Ca -0.03 2.40 0.06 0.00 0.70 0.00 0.00 55.95 59.08 2dai s SER 81 Cb 0.00 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2dai s SER 81 CO 0.10 -2.01 0.16 -0.94 1.20 0.00 0.00 173.24 171.75 2dai s SER 82 N -1.83 5.44 0.00 5.45 1.04 -1.26 -5.18 113.70 117.35 2dai s SER 82 Ca 0.76 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2dai s SER 82 Cb -0.31 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.44 2dai s SER 82 CO 0.41 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.25