#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dai s SER 2 N 0.00 -0.03 0.12 1.61 1.04 -1.26 -5.19 113.70 110.00 2dai s SER 2 Ca 0.00 -0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.11 2dai s SER 2 Cb 0.00 0.07 0.07 0.00 0.10 0.00 0.00 66.02 66.27 2dai s SER 2 CO 0.00 -0.14 0.88 -0.44 0.98 0.00 0.00 173.24 174.52 2dai s SER 3 N -3.03 -0.28 0.00 7.02 0.01 -1.26 -5.19 113.70 110.97 2dai s SER 3 Ca 0.15 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2dai s SER 3 Cb 0.06 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.78 2dai s SER 3 CO -0.05 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.34 2dai n GLY 4 N -0.39 4.15 3.22 3.44 0.00 -1.26 -5.19 105.19 109.16 2dai n GLY 4 Ca -0.08 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 2dai n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dai s SER 5 N -0.17 0.22 0.07 1.61 0.15 -1.26 -5.18 113.70 109.14 2dai s SER 5 Ca 0.00 -1.39 -0.14 0.00 0.70 0.00 0.00 55.95 55.12 2dai s SER 5 Cb 0.00 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.73 2dai s SER 5 CO 0.00 -0.86 0.33 -0.94 1.20 0.00 0.00 173.24 172.96 2dai s SER 6 N -3.17 -0.14 0.00 5.45 1.04 -1.26 -5.18 113.70 110.45 2dai s SER 6 Ca 0.38 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2dai s SER 6 Cb 0.06 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2dai s SER 6 CO 0.13 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2dai n GLY 7 N 0.26 5.22 0.00 7.32 0.00 -1.26 -5.17 105.19 111.56 2dai n GLY 7 Ca -0.17 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2dai n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dai n ASP 8 N 0.00 0.00 -2.84 1.61 9.92 -1.26 -5.18 116.55 118.80 2dai n ASP 8 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 2dai n ASP 8 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2dai n ASP 8 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dai n ALA 9 N -0.14 0.23 -2.00 2.24 0.00 -1.26 -5.13 120.51 114.45 2dai n ALA 9 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2dai n ALA 9 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2dai n ALA 9 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2dai n VAL 10 N -0.80 0.00 -3.65 0.00 0.24 -1.26 -5.18 118.33 107.68 2dai n VAL 10 Ca -0.02 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.25 2dai n VAL 10 Cb 0.19 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.49 2dai n VAL 10 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2dai s GLU 11 N 1.42 0.09 0.06 7.34 2.56 -1.26 -5.17 118.70 123.74 2dai s GLU 11 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 54.97 55.13 2dai s GLU 11 Cb 0.00 0.04 -0.03 0.00 2.00 0.00 0.00 34.13 36.14 2dai s GLU 11 CO 0.00 -0.01 -0.17 -0.51 -0.56 0.00 0.00 175.26 174.01 2dai s LEU 12 N 0.04 2.23 -0.36 2.70 1.02 -1.26 -5.12 118.68 117.94 2dai s LEU 12 Ca 0.07 -0.57 -0.03 0.00 0.02 0.00 0.00 54.13 53.62 2dai s LEU 12 Cb -0.05 -0.72 0.08 0.00 0.02 0.00 0.00 46.19 45.52 2dai s LEU 12 CO -0.15 0.03 0.12 0.12 0.02 0.00 0.00 176.35 176.49 2dai s PHE 13 N -1.04 3.43 -0.01 0.29 5.36 -1.26 -5.07 117.98 119.69 2dai s PHE 13 Ca 0.03 -2.09 -0.02 0.00 -0.96 0.00 0.00 56.93 53.89 2dai s PHE 13 Cb -0.09 -2.70 -0.00 0.00 -0.34 0.00 0.00 43.02 39.89 2dai s PHE 13 CO 0.02 -0.88 0.04 0.21 -1.46 0.00 0.00 175.22 173.15 2dai s LYS 14 N 1.22 0.14 -0.01 10.12 2.20 -1.26 -5.16 119.74 126.99 2dai s LYS 14 Ca 0.02 -0.11 -0.09 0.00 -0.36 0.00 0.00 55.97 55.43 2dai s LYS 14 Cb -0.21 0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.17 2dai s LYS 14 CO -0.02 -0.02 0.18 0.21 -0.36 0.00 0.00 175.35 175.34 2dai s LYS 15 N -0.40 0.50 0.47 4.03 2.47 -1.26 -5.16 119.74 120.38 2dai s LYS 15 Ca -0.05 -0.28 -0.14 0.00 -1.56 0.00 0.00 55.97 53.95 2dai s LYS 15 Cb -0.03 0.21 -0.07 0.00 -1.46 0.00 0.00 37.83 36.48 2dai s LYS 15 CO -0.00 -0.12 0.89 0.00 0.16 0.00 0.00 175.35 176.28 2dai s ALA 16 N -1.20 3.19 0.06 3.13 0.00 -1.26 -5.00 121.76 120.67 2dai s ALA 16 Ca -0.13 0.01 -0.34 0.00 0.00 0.00 0.00 51.96 51.51 2dai s ALA 16 Cb -0.06 -2.94 -0.19 0.00 0.00 0.00 0.00 23.12 19.93 2dai s ALA 16 CO 0.02 -0.14 1.51 -0.97 0.00 0.00 0.00 175.76 176.18 2dai h ASN 17 N 1.07 -1.07 -5.47 0.00 -0.73 -2.08 -3.48 115.58 103.82 2dai h ASN 17 Ca -0.47 0.04 -0.05 0.00 1.87 0.00 0.00 56.30 57.70 2dai h ASN 17 Cb 1.19 0.29 0.00 0.00 0.27 0.00 0.00 38.32 40.07 2dai h ASN 17 CO 0.62 -0.73 -0.76 0.00 -0.37 0.00 0.00 177.43 176.19 2dai n ALA 18 N -2.63 -3.00 -3.65 1.57 0.00 -1.26 -5.04 120.51 106.49 2dai n ALA 18 Ca -0.15 0.82 -0.04 0.00 0.00 0.00 0.00 53.44 54.07 2dai n ALA 18 Cb 0.48 -2.62 -0.01 0.00 0.00 0.00 0.00 19.45 17.29 2dai n ALA 18 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2dai s MET 19 N -2.22 0.90 0.00 0.00 0.00 -1.26 -5.18 119.30 111.55 2dai s MET 19 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 55.69 55.42 2dai s MET 19 Cb -0.04 0.34 0.00 0.00 0.00 0.00 0.00 34.83 35.12 2dai s MET 19 CO 0.74 -0.41 0.00 -0.11 0.00 0.00 0.00 175.02 175.24 2dai n LEU 20 N -0.38 0.00 -2.90 4.11 7.94 -1.26 -5.15 117.00 119.35 2dai n LEU 20 Ca -0.07 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.87 2dai n LEU 20 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.57 2dai n LEU 20 CO 0.12 0.00 0.60 -0.62 -1.11 0.00 0.00 177.39 176.39 2dai s ASP 21 N 1.00 -0.03 -0.61 1.96 -1.08 -1.26 -5.11 116.67 111.54 2dai s ASP 21 Ca 0.00 -0.01 -0.09 0.00 -0.52 0.00 0.00 52.55 51.93 2dai s ASP 21 Cb 0.00 0.52 0.16 0.00 -1.46 0.00 0.00 42.92 42.13 2dai s ASP 21 CO 0.00 -0.00 0.49 -1.61 0.52 0.00 0.00 175.17 174.56 2dai s GLU 22 N 2.49 2.82 -0.10 4.34 2.02 -1.26 -5.04 118.70 123.97 2dai s GLU 22 Ca 0.24 -2.14 0.03 0.00 0.02 0.00 0.00 54.97 53.11 2dai s GLU 22 Cb 0.03 -4.03 0.01 0.00 0.10 0.00 0.00 34.13 30.24 2dai s GLU 22 CO -0.19 -1.22 -0.19 0.34 0.02 0.00 0.00 175.26 174.01 2dai s ASP 23 N 2.09 2.68 0.53 -0.19 2.15 -1.26 -5.13 116.67 117.55 2dai s ASP 23 Ca 0.12 -0.48 -0.16 0.00 0.43 0.00 0.00 52.55 52.45 2dai s ASP 23 Cb -0.21 -1.22 -0.07 0.00 -0.30 0.00 0.00 42.92 41.12 2dai s ASP 23 CO -0.03 0.08 1.00 -1.61 -0.17 0.00 0.00 175.17 174.44 2dai s GLU 24 N 0.65 3.83 0.37 4.34 2.02 -1.26 -5.03 118.70 123.63 2dai s GLU 24 Ca -0.13 0.99 -0.25 0.00 0.02 0.00 0.00 54.97 55.61 2dai s GLU 24 Cb -0.16 -2.12 -0.09 0.00 0.10 0.00 0.00 34.13 31.86 2dai s GLU 24 CO 0.03 -0.37 1.02 0.16 0.02 0.00 0.00 175.26 176.12 2dai s ASP 25 N -3.05 6.98 0.00 -0.19 -4.77 -1.26 -4.76 116.67 109.63 2dai s ASP 25 Ca 0.60 1.98 0.00 0.00 -3.30 0.00 0.00 52.55 51.83 2dai s ASP 25 Cb -0.11 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 2dai s ASP 25 CO 0.33 -0.33 0.00 -1.84 0.70 0.00 0.00 175.17 174.02 2dai n GLU 26 N 0.19 0.00 -3.97 2.11 0.28 -1.26 -5.15 120.64 112.85 2dai n GLU 26 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.95 2dai n GLU 26 Cb 0.50 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.28 2dai n GLU 26 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2dai s ARG 27 N -1.57 0.84 0.83 3.44 0.52 -1.26 -5.17 118.95 116.58 2dai s ARG 27 Ca 0.00 -1.11 -0.12 0.00 -0.52 0.00 0.00 55.73 53.98 2dai s ARG 27 Cb 0.00 0.30 0.09 0.00 0.52 0.00 0.00 34.95 35.86 2dai s ARG 27 CO 0.00 -0.25 1.17 0.08 0.02 0.00 0.00 175.30 176.33 2dai s VAL 28 N -3.91 2.00 0.10 3.52 1.01 -1.26 -5.05 120.40 116.81 2dai s VAL 28 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 2dai s VAL 28 Cb 0.06 -2.96 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 2dai s VAL 28 CO -0.08 -0.00 0.51 -0.62 0.00 0.00 0.00 175.10 174.91 2dai s ASP 29 N -4.49 6.84 -0.20 3.32 -1.08 -1.26 -5.00 116.67 114.80 2dai s ASP 29 Ca 0.62 1.05 -0.19 0.00 -0.52 0.00 0.00 52.55 53.52 2dai s ASP 29 Cb -0.12 -2.28 -0.20 0.00 -1.46 0.00 0.00 42.92 38.86 2dai s ASP 29 CO 0.50 0.18 0.21 -0.62 0.52 0.00 0.00 175.17 175.96 2dai n GLU 30 N 1.13 0.60 -0.24 4.34 -0.58 -1.26 -3.12 120.64 121.52 2dai n GLU 30 Ca -0.08 0.51 -0.01 0.00 -0.42 0.00 0.00 57.16 57.17 2dai n GLU 30 Cb 0.52 -1.73 0.06 0.00 -0.57 0.00 0.00 31.44 29.71 2dai n GLU 30 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dai h ALA 31 N -0.42 0.30 0.87 0.62 0.00 -1.99 0.77 119.26 119.41 2dai h ALA 31 Ca -0.38 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2dai h ALA 31 Cb 1.44 0.64 0.01 0.00 0.00 0.00 0.00 17.79 19.88 2dai h ALA 31 CO -0.17 -0.50 -0.42 0.00 0.00 0.00 0.00 179.25 178.16 2dai h ALA 32 N 1.48 -1.20 -0.93 0.00 0.00 -1.94 -2.54 119.26 114.13 2dai h ALA 32 Ca 0.31 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 55.14 2dai h ALA 32 Cb 0.54 0.45 -0.17 0.00 0.00 0.00 0.00 17.79 18.61 2dai h ALA 32 CO -0.74 -1.12 -0.28 1.25 0.00 0.00 0.00 179.25 178.37 2dai h LEU 33 N -1.27 -1.03 -0.64 0.00 5.85 -1.20 0.88 115.31 117.91 2dai h LEU 33 Ca -0.12 0.29 0.13 0.00 0.84 0.00 0.00 57.88 59.02 2dai h LEU 33 Cb 0.89 0.63 -0.11 0.00 0.37 0.00 0.00 40.66 42.44 2dai h LEU 33 CO 0.20 -0.30 -0.04 0.03 -0.34 0.00 0.00 178.44 177.98 2dai h ARG 34 N -0.01 0.08 -0.37 1.25 -0.00 0.67 0.21 114.38 116.21 2dai h ARG 34 Ca 0.41 -0.00 0.08 0.00 -0.50 0.00 0.00 59.98 59.97 2dai h ARG 34 Cb 0.66 -0.02 -0.08 0.00 0.00 0.00 0.00 29.97 30.52 2dai h ARG 34 CO -0.96 0.05 -0.22 1.96 0.00 0.00 0.00 179.97 180.80 2dai h GLN 35 N 0.08 -0.16 0.35 0.04 4.20 0.12 0.85 115.11 120.59 2dai h GLN 35 Ca 0.33 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 2dai h GLN 35 Cb 0.53 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2dai h GLN 35 CO -0.58 -0.10 -0.17 -0.07 -0.67 0.00 0.00 178.83 177.24 2dai h LEU 36 N -0.16 -0.39 -1.08 1.46 3.38 -0.50 -1.66 115.31 116.35 2dai h LEU 36 Ca 0.18 0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.55 2dai h LEU 36 Cb 0.45 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.14 2dai h LEU 36 CO -0.47 -0.27 0.61 0.71 0.09 0.00 0.00 178.44 179.11 2dai h THR 37 N -0.48 0.16 -0.73 0.22 1.35 -0.46 1.48 112.91 114.45 2dai h THR 37 Ca -0.05 -0.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.75 2dai h THR 37 Cb 0.36 -0.02 -0.04 0.00 -1.73 0.00 0.00 68.15 66.72 2dai h THR 37 CO 0.08 0.03 0.43 -0.33 -0.25 0.00 0.00 175.52 175.48 2dai h GLU 38 N 0.16 0.99 0.25 4.72 4.39 0.10 -3.01 114.58 122.19 2dai h GLU 38 Ca 0.79 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 60.39 2dai h GLU 38 Cb 2.06 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 2dai h GLU 38 CO -0.63 0.71 -0.12 0.52 -1.16 0.00 0.00 179.01 178.33 2dai h MET 39 N 1.00 -0.33 0.00 2.33 2.86 0.30 -3.47 114.93 117.62 2dai h MET 39 Ca 0.26 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2dai h MET 39 Cb -0.03 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2dai h MET 39 CO -0.05 -0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.28 2dai n GLY 40 N -0.57 0.00 3.38 8.32 0.00 -0.42 -5.12 105.19 110.78 2dai n GLY 40 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 2.18 0.03 1.61 0.08 -1.20 -5.00 117.98 115.68 2dai s PHE 41 Ca 0.00 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 2dai s PHE 41 Cb 0.00 -1.13 -0.05 0.00 -0.57 0.00 0.00 43.02 41.27 2dai s PHE 41 CO 0.00 0.38 1.18 -1.25 -0.10 0.00 0.00 175.22 175.43 2dai s PRO 42 N -2.36 4.43 0.18 0.24 0.04 -1.26 -4.15 135.00 132.11 2dai s PRO 42 Ca 0.16 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 2dai s PRO 42 Cb -0.09 -3.40 0.16 0.00 0.04 0.00 0.00 34.50 31.21 2dai s PRO 42 CO 0.07 -0.27 1.71 1.49 0.04 0.00 0.00 177.00 180.04 2dai h GLU 43 N 6.93 0.17 -0.42 4.56 4.81 -1.96 1.41 114.58 130.08 2dai h GLU 43 Ca -0.40 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.86 2dai h GLU 43 Cb 1.20 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 2dai h GLU 43 CO 0.82 0.11 -0.46 -2.95 -0.73 0.00 0.00 179.01 175.81 2dai h ASN 44 N 0.18 -1.56 0.41 1.04 -1.07 -1.99 1.27 115.58 113.86 2dai h ASN 44 Ca 0.23 0.21 -0.02 0.00 0.07 0.00 0.00 56.30 56.79 2dai h ASN 44 Cb 0.32 0.65 0.00 0.00 -2.07 0.00 0.00 38.32 37.22 2dai h ASN 44 CO -0.33 -0.30 -0.20 0.03 0.07 0.00 0.00 177.43 176.70 2dai h ARG 45 N -0.26 -0.53 -0.99 4.14 3.08 -1.84 -2.21 114.38 115.78 2dai h ARG 45 Ca 0.07 0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.42 2dai h ARG 45 Cb 0.45 0.12 -0.18 0.00 0.08 0.00 0.00 29.97 30.44 2dai h ARG 45 CO -0.54 -0.22 -0.02 0.00 -1.07 0.00 0.00 179.97 178.12 2dai h ALA 46 N -0.53 1.07 -0.33 0.04 0.00 0.23 1.70 119.26 121.44 2dai h ALA 46 Ca -0.06 0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2dai h ALA 46 Cb 0.56 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2dai h ALA 46 CO 0.09 -0.54 0.18 1.15 0.00 0.00 0.00 179.25 180.13 2dai h THR 47 N 0.01 1.14 0.51 0.00 2.02 0.17 -0.57 112.91 116.19 2dai h THR 47 Ca 0.58 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 2dai h THR 47 Cb 1.14 0.79 0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2dai h THR 47 CO -0.94 0.15 -0.25 0.50 0.37 0.00 0.00 175.52 175.35 2dai h LYS 48 N 0.41 -0.66 -1.05 6.66 3.64 0.21 -2.15 116.57 123.63 2dai h LYS 48 Ca 0.12 0.05 0.41 0.00 -1.27 0.00 0.00 60.65 59.95 2dai h LYS 48 Cb 0.08 0.15 -0.17 0.00 -0.41 0.00 0.00 32.23 31.88 2dai h LYS 48 CO -0.02 -0.44 0.59 0.00 -2.27 0.00 0.00 179.45 177.32 2dai h ALA 49 N -1.47 2.23 0.88 5.00 0.00 0.19 0.51 119.26 126.61 2dai h ALA 49 Ca -0.07 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2dai h ALA 49 Cb 0.53 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2dai h ALA 49 CO 0.12 -0.98 -0.42 -0.07 0.00 0.00 0.00 179.25 177.89 2dai h LEU 50 N 0.05 -1.00 -0.91 0.00 3.38 -0.93 1.46 115.31 117.35 2dai h LEU 50 Ca 0.84 0.03 0.26 0.00 0.09 0.00 0.00 57.88 59.10 2dai h LEU 50 Cb 2.24 0.26 -0.14 0.00 0.09 0.00 0.00 40.66 43.11 2dai h LEU 50 CO -0.70 -0.71 0.33 1.56 0.09 0.00 0.00 178.44 179.01 2dai h GLN 51 N -1.19 0.24 0.00 1.13 4.20 0.61 1.94 115.11 122.04 2dai h GLN 51 Ca -0.12 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.43 2dai h GLN 51 Cb 0.91 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 2dai h GLN 51 CO 0.20 0.16 -0.67 -0.07 -0.67 0.00 0.00 178.83 177.78 2dai h LEU 52 N 0.25 0.00 -3.98 1.46 3.38 -0.76 -3.06 115.31 112.60 2dai h LEU 52 Ca 0.60 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.93 2dai h LEU 52 Cb 1.25 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.71 2dai h LEU 52 CO -0.64 0.67 0.82 0.59 0.09 0.00 0.00 178.44 179.97 2dai n ASN 53 N -3.54 6.87 -4.19 -0.43 5.03 0.52 -4.86 115.26 114.65 2dai n ASN 53 Ca -0.00 -3.73 -0.36 0.00 0.87 0.00 0.00 54.58 51.36 2dai n ASN 53 Cb 0.71 -0.95 -0.08 0.00 -1.02 0.00 0.00 39.78 38.44 2dai n ASN 53 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2dai n HIS 54 N -0.93 -1.05 -3.50 3.10 -0.00 0.68 0.82 115.22 114.34 2dai n HIS 54 Ca 0.61 0.60 -0.23 0.00 0.46 0.00 0.00 57.72 59.16 2dai n HIS 54 Cb 0.86 -1.84 0.05 0.00 -0.12 0.00 0.00 29.99 28.95 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 -3.78 -2.40 -4.31 1.57 2.81 0.53 -4.95 117.12 106.58 2dai n MET 55 Ca 0.02 0.66 -0.35 0.00 -1.81 0.00 0.00 57.70 56.23 2dai n MET 55 Cb 0.45 -5.04 -0.10 0.00 -0.71 0.00 0.00 33.22 27.82 2dai n MET 55 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2dai s SER 56 N -3.61 5.23 -0.06 7.83 0.15 0.24 -4.98 113.70 118.51 2dai s SER 56 Ca 0.38 0.09 -0.25 0.00 0.70 0.00 0.00 55.95 56.87 2dai s SER 56 Cb -0.09 -1.62 -0.24 0.00 -1.71 0.00 0.00 66.02 62.35 2dai s SER 56 CO 0.80 0.31 1.00 0.58 1.20 0.00 0.00 173.24 177.12 2dai h VAL 57 N 4.45 1.56 0.15 4.45 2.07 -1.90 -2.92 116.25 124.13 2dai h VAL 57 Ca -0.45 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.03 2dai h VAL 57 Cb 1.19 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 2dai h VAL 57 CO 0.58 0.56 -0.07 1.55 0.02 0.00 0.00 177.57 180.21 2dai h PRO 58 N -0.53 -0.20 -0.75 1.57 0.13 -1.97 -3.14 132.00 127.11 2dai h PRO 58 Ca -0.04 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.18 2dai h PRO 58 Cb 1.06 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.14 2dai h PRO 58 CO 0.05 -0.13 -0.54 1.96 -0.23 0.00 0.00 178.00 179.11 2dai h GLN 59 N -0.67 -0.12 -0.97 0.86 1.08 -1.93 0.38 115.11 113.74 2dai h GLN 59 Ca -0.02 0.01 0.19 0.00 -1.45 0.00 0.00 58.65 57.38 2dai h GLN 59 Cb 0.16 0.03 -0.18 0.00 -0.05 0.00 0.00 27.48 27.44 2dai h GLN 59 CO 0.03 -0.08 -0.26 0.00 -0.95 0.00 0.00 178.83 177.57 2dai h ALA 60 N 0.22 0.57 -0.33 3.87 0.00 -1.67 -0.01 119.26 121.92 2dai h ALA 60 Ca 0.12 0.37 0.03 0.00 0.00 0.00 0.00 54.91 55.43 2dai h ALA 60 Cb 0.44 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2dai h ALA 60 CO -0.77 -0.42 -0.20 1.98 0.00 0.00 0.00 179.25 179.85 2dai h MET 61 N -0.00 -0.00 -0.43 0.00 1.85 -0.18 1.53 114.93 117.69 2dai h MET 61 Ca 0.45 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.63 2dai h MET 61 Cb 0.70 0.00 -0.09 0.00 0.43 0.00 0.00 31.60 32.64 2dai h MET 61 CO -1.00 -0.00 -0.17 0.93 -0.40 0.00 0.00 176.91 176.27 2dai h GLU 62 N -0.00 -0.07 -0.92 0.39 4.39 -0.89 0.63 114.58 118.10 2dai h GLU 62 Ca 0.05 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.90 2dai h GLU 62 Cb 0.14 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.71 2dai h GLU 62 CO -0.31 -0.05 0.54 2.35 -1.16 0.00 0.00 179.01 180.38 2dai h TRP 63 N -0.08 0.96 0.00 4.33 7.01 0.03 1.53 115.95 129.73 2dai h TRP 63 Ca 0.21 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.17 2dai h TRP 63 Cb 0.40 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 2dai h TRP 63 CO -0.43 0.31 -0.33 -0.07 -2.79 0.00 0.00 178.44 175.14 2dai h LEU 64 N 0.80 0.00 0.07 0.65 3.38 0.60 0.63 115.31 121.44 2dai h LEU 64 Ca 0.48 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.33 2dai h LEU 64 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dai h LEU 64 CO -0.32 0.33 -0.53 0.40 0.09 0.00 0.00 178.44 178.41 2dai h ILE 65 N 0.00 1.56 0.10 1.22 2.04 0.59 -1.08 117.51 121.95 2dai h ILE 65 Ca -0.00 -2.33 -0.00 0.00 1.00 0.00 0.00 64.86 63.52 2dai h ILE 65 Cb 0.70 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 2dai h ILE 65 CO 0.04 0.65 -0.05 -0.33 0.00 0.00 0.00 178.15 178.46 2dai h GLU 66 N -0.47 -0.13 0.00 2.37 4.39 0.19 -2.72 114.58 118.21 2dai h GLU 66 Ca -0.09 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2dai h GLU 66 Cb 1.36 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2dai h GLU 66 CO 0.10 0.27 0.00 0.72 -1.16 0.00 0.00 179.01 178.94 2dai n HIS 67 N -4.96 0.12 -0.68 4.33 8.25 0.22 -3.19 115.22 119.31 2dai n HIS 67 Ca -0.09 0.05 0.52 0.00 -0.26 0.00 0.00 57.72 57.94 2dai n HIS 67 Cb 0.24 -0.57 0.81 0.00 1.12 0.00 0.00 29.99 31.59 2dai n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dai h ALA 68 N 2.47 3.77 -1.86 -1.41 0.00 -0.85 0.50 119.26 121.89 2dai h ALA 68 Ca 0.00 -0.05 -0.51 0.00 0.00 0.00 0.00 54.91 54.35 2dai h ALA 68 Cb 0.27 0.16 -0.41 0.00 0.00 0.00 0.00 17.79 17.80 2dai h ALA 68 CO 0.00 -2.34 -0.94 0.39 0.00 0.00 0.00 179.25 176.35 2dai n GLU 69 N -4.01 2.12 -4.18 0.00 1.02 -1.19 -5.07 120.64 109.33 2dai n GLU 69 Ca 0.44 -4.02 -0.30 0.00 -0.02 0.00 0.00 57.16 53.26 2dai n GLU 69 Cb 1.96 -1.89 -0.09 0.00 -0.02 0.00 0.00 31.44 31.40 2dai n GLU 69 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dai s ASP 70 N -3.06 4.69 -0.07 1.62 -1.08 0.18 -5.05 116.67 113.89 2dai s ASP 70 Ca 0.42 -0.29 -0.21 0.00 -0.52 0.00 0.00 52.55 51.95 2dai s ASP 70 Cb 0.35 -1.01 -0.17 0.00 -1.46 0.00 0.00 42.92 40.64 2dai s ASP 70 CO -0.10 0.17 0.79 1.55 0.52 0.00 0.00 175.17 178.11 2dai h PRO 71 N 3.50 -0.12 -0.69 4.34 0.13 -1.98 -3.31 132.00 133.87 2dai h PRO 71 Ca -0.48 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 64.77 2dai h PRO 71 Cb 1.17 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2dai h PRO 71 CO 0.56 0.41 -0.38 1.79 -0.23 0.00 0.00 178.00 180.15 2dai h THR 72 N -0.87 0.10 -1.27 1.56 1.35 -1.96 1.41 112.91 113.22 2dai h THR 72 Ca -0.01 0.00 0.42 0.00 -0.55 0.00 0.00 66.41 66.27 2dai h THR 72 Cb 0.58 0.10 -0.13 0.00 -1.73 0.00 0.00 68.15 66.97 2dai h THR 72 CO 0.02 0.00 0.81 -0.29 -0.25 0.00 0.00 175.52 175.81 2dai h ILE 73 N -0.14 0.14 0.00 6.82 2.10 -1.91 -0.01 117.51 124.50 2dai h ILE 73 Ca 0.24 -0.04 -0.07 0.00 1.08 0.00 0.00 64.86 66.08 2dai h ILE 73 Cb 0.56 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.31 2dai h ILE 73 CO -0.76 0.02 -0.58 -0.78 -1.08 0.00 0.00 178.15 174.97 2dai h ASP 74 N 0.10 0.00 -3.87 2.19 3.58 0.11 -3.51 116.42 115.03 2dai h ASP 74 Ca 0.81 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.99 2dai h ASP 74 Cb 2.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.51 2dai h ASP 74 CO -0.45 0.95 -0.98 0.41 -2.88 0.00 0.00 179.24 176.29 2dai n THR 75 N -4.59 -3.50 -2.31 2.25 -1.04 0.39 -4.57 114.28 100.91 2dai n THR 75 Ca -0.13 1.71 -0.37 0.00 -2.04 0.00 0.00 64.05 63.21 2dai n THR 75 Cb 0.36 -2.69 -0.03 0.00 -1.82 0.00 0.00 70.33 66.15 2dai n THR 75 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2dai s PRO 76 N -5.06 3.00 0.22 -2.82 0.04 -1.26 -4.95 135.00 124.16 2dai s PRO 76 Ca 0.00 -0.26 -0.32 0.00 0.04 0.00 0.00 61.00 60.46 2dai s PRO 76 Cb 0.00 -4.74 -0.12 0.00 0.04 0.00 0.00 34.50 29.69 2dai s PRO 76 CO 0.00 -2.60 1.69 -0.51 0.04 0.00 0.00 177.00 175.61 2dai s LEU 77 N 7.42 4.36 0.89 -3.56 1.43 -1.26 -4.97 118.68 123.00 2dai s LEU 77 Ca 0.54 2.87 -0.12 0.00 -1.03 0.00 0.00 54.13 56.39 2dai s LEU 77 Cb -0.07 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.67 2dai s LEU 77 CO 0.06 -0.95 1.11 -0.44 0.23 0.00 0.00 176.35 176.36 2dai s SER 78 N 1.03 3.61 0.00 2.29 0.01 -1.26 -4.56 113.70 114.82 2dai s SER 78 Ca 0.72 1.20 0.00 0.00 1.31 0.00 0.00 55.95 59.18 2dai s SER 78 Cb -0.49 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2dai s SER 78 CO 0.35 -2.51 0.00 0.61 0.41 0.00 0.00 173.24 172.10 2dai n GLY 79 N -1.77 -0.65 3.16 3.44 0.00 -1.26 -4.63 105.19 103.48 2dai n GLY 79 Ca 0.06 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 2dai n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dai n PRO 80 N 0.00 2.24 -3.93 1.61 -0.04 -1.26 -4.86 135.00 128.76 2dai n PRO 80 Ca 0.00 -2.45 -0.34 0.00 -0.04 0.00 0.00 63.50 60.67 2dai n PRO 80 Cb 0.00 -3.28 -0.14 0.00 -0.04 0.00 0.00 33.50 30.04 2dai n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dai s SER 81 N 4.57 4.83 -0.33 3.54 0.15 -1.26 -4.83 113.70 120.37 2dai s SER 81 Ca 0.56 -1.43 -0.10 0.00 0.70 0.00 0.00 55.95 55.68 2dai s SER 81 Cb 0.10 -1.69 0.01 0.00 -1.71 0.00 0.00 66.02 62.73 2dai s SER 81 CO 0.05 -0.28 0.28 -1.20 1.20 0.00 0.00 173.24 173.29 2dai n SER 82 N 4.56 -7.59 -0.32 5.45 7.64 -1.26 -5.06 113.62 117.04 2dai n SER 82 Ca -0.11 0.84 0.15 0.00 1.01 0.00 0.00 58.87 60.75 2dai n SER 82 Cb 0.43 -4.55 0.67 0.00 -1.01 0.00 0.00 64.21 59.74 2dai n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64