#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 -0.06 0.17 1.61 0.01 -1.26 -5.19 113.70 108.98 2dai s SER 2 Ca 0.00 -0.16 -0.24 0.00 1.31 0.00 0.00 55.95 56.86 2dai s SER 2 Cb 0.00 0.18 0.06 0.00 0.21 0.00 0.00 66.02 66.47 2dai s SER 2 CO 0.00 -0.34 0.87 -0.94 0.41 0.00 0.00 173.24 173.24 2dai s SER 3 N -3.04 -0.24 0.00 2.44 1.04 -1.26 -5.19 113.70 107.46 2dai s SER 3 Ca 0.15 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2dai s SER 3 Cb 0.04 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2dai s SER 3 CO -0.03 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2dai n GLY 4 N -0.44 0.88 3.34 7.32 0.00 -1.26 -5.18 105.19 109.85 2dai n GLY 4 Ca -0.06 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 -0.01 0.02 1.61 0.15 -1.26 -5.18 113.70 109.04 2dai s SER 5 Ca 0.00 -0.74 -0.19 0.00 0.70 0.00 0.00 55.95 55.71 2dai s SER 5 Cb 0.00 0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.79 2dai s SER 5 CO 0.00 -0.89 0.44 -0.94 1.20 0.00 0.00 173.24 173.05 2dai s SER 6 N -2.93 -0.33 0.00 5.45 1.04 -1.26 -5.17 113.70 110.51 2dai s SER 6 Ca 0.13 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2dai s SER 6 Cb 0.03 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2dai s SER 6 CO -0.03 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2dai n GLY 7 N 0.67 3.59 3.18 7.32 0.00 -1.26 -5.16 105.19 113.52 2dai n GLY 7 Ca -0.19 -1.46 0.04 0.00 0.00 0.00 0.00 46.02 44.41 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 0.20 -0.09 -0.16 1.61 -1.08 -1.26 -5.18 116.67 110.71 2dai s ASP 8 Ca 0.00 0.10 -0.29 0.00 -0.52 0.00 0.00 52.55 51.84 2dai s ASP 8 Cb 0.00 1.09 0.12 0.00 -1.46 0.00 0.00 42.92 42.67 2dai s ASP 8 CO 0.00 -0.02 0.94 0.00 0.52 0.00 0.00 175.17 176.62 2dai s ALA 9 N 2.37 -1.91 0.00 3.66 0.00 -1.26 -5.18 121.76 119.44 2dai s ALA 9 Ca -0.03 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.53 2dai s ALA 9 Cb -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2dai s ALA 9 CO -0.13 -0.31 0.00 1.33 0.00 0.00 0.00 175.76 176.65 2dai n VAL 10 N 1.04 0.00 -3.64 0.00 0.24 -1.26 -5.19 118.33 109.52 2dai n VAL 10 Ca -0.12 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.14 2dai n VAL 10 Cb 0.57 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.88 2dai n VAL 10 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2dai s GLU 11 N 1.45 0.13 0.00 7.34 -1.05 -1.26 -5.17 118.70 120.15 2dai s GLU 11 Ca 0.00 0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.95 2dai s GLU 11 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 2dai s GLU 11 CO 0.00 -0.02 0.00 -0.11 0.95 0.00 0.00 175.26 176.08 2dai n LEU 12 N 1.46 0.00 0.00 1.83 0.00 -1.26 -5.07 117.00 113.96 2dai n LEU 12 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.92 2dai n LEU 12 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.99 2dai n LEU 12 CO 0.03 0.00 -0.31 0.33 0.00 0.00 0.00 177.39 177.44 2dai n PHE 13 N 0.00 0.00 -2.86 1.96 7.35 -1.26 -5.05 117.46 117.61 2dai n PHE 13 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 2dai n PHE 13 Cb 0.00 0.04 -0.05 0.00 0.35 0.00 0.00 39.48 39.82 2dai n PHE 13 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2dai s LYS 14 N -1.70 4.61 0.00 -4.13 2.47 -1.26 -5.05 119.74 114.68 2dai s LYS 14 Ca 0.00 1.27 -0.02 0.00 -1.56 0.00 0.00 55.97 55.66 2dai s LYS 14 Cb 0.00 -3.36 -0.01 0.00 -1.46 0.00 0.00 37.83 33.01 2dai s LYS 14 CO 0.00 0.29 0.03 0.21 0.16 0.00 0.00 175.35 176.04 2dai s LYS 15 N -0.17 0.24 -0.19 4.03 2.20 -1.26 -5.08 119.74 119.51 2dai s LYS 15 Ca 0.42 -0.30 -0.04 0.00 -0.36 0.00 0.00 55.97 55.69 2dai s LYS 15 Cb -0.22 0.10 0.09 0.00 -1.51 0.00 0.00 37.83 36.28 2dai s LYS 15 CO 0.27 -0.05 0.23 0.00 -0.36 0.00 0.00 175.35 175.44 2dai s ALA 16 N -0.86 -0.31 -0.71 3.13 0.00 -1.26 -5.09 121.76 116.66 2dai s ALA 16 Ca -0.09 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 2dai s ALA 16 Cb -0.06 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 2dai s ALA 16 CO -0.00 -1.15 1.77 0.54 0.00 0.00 0.00 175.76 176.93 2dai s ASN 17 N 2.34 5.43 -0.32 0.00 4.22 -1.26 -4.92 114.94 120.42 2dai s ASN 17 Ca 0.07 -0.05 -0.01 0.00 -2.14 0.00 0.00 52.86 50.72 2dai s ASN 17 Cb -0.15 -2.54 0.07 0.00 1.28 0.00 0.00 41.25 39.90 2dai s ASN 17 CO -0.12 -2.33 0.04 0.00 -2.04 0.00 0.00 177.10 172.66 2dai s ALA 18 N 8.59 2.88 0.03 3.54 0.00 -1.26 -5.08 121.76 130.47 2dai s ALA 18 Ca 0.62 -1.99 0.01 0.00 0.00 0.00 0.00 51.96 50.60 2dai s ALA 18 Cb -0.10 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 2dai s ALA 18 CO 0.14 -1.42 -0.06 1.41 0.00 0.00 0.00 175.76 175.84 2dai s MET 19 N 1.19 0.44 0.17 0.00 0.00 -1.26 -5.05 119.30 114.80 2dai s MET 19 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 55.69 55.00 2dai s MET 19 Cb -0.20 -0.16 0.00 0.00 0.00 0.00 0.00 34.83 34.47 2dai s MET 19 CO -0.02 0.02 0.00 -0.11 0.00 0.00 0.00 175.02 174.90 2dai n LEU 20 N 1.58 -5.85 -3.39 4.11 0.00 -1.26 -5.04 117.00 107.15 2dai n LEU 20 Ca -0.23 2.99 -0.13 0.00 0.00 0.00 0.00 56.01 58.65 2dai n LEU 20 Cb 0.55 -3.01 -0.09 0.00 0.00 0.00 0.00 43.42 40.86 2dai n LEU 20 CO 0.21 -1.76 -0.11 -0.62 0.00 0.00 0.00 177.39 175.10 2dai s ASP 21 N -0.49 0.71 -0.87 1.96 2.15 -1.26 -5.05 116.67 113.82 2dai s ASP 21 Ca 0.00 -0.02 0.01 0.00 0.43 0.00 0.00 52.55 52.97 2dai s ASP 21 Cb 0.00 0.85 0.33 0.00 -0.30 0.00 0.00 42.92 43.79 2dai s ASP 21 CO 0.00 -0.32 1.49 -1.84 -0.17 0.00 0.00 175.17 174.34 2dai n GLU 22 N 5.35 4.61 -3.73 4.34 0.00 -1.26 -4.95 120.64 125.00 2dai n GLU 22 Ca -0.04 -4.74 -0.12 0.00 0.00 0.00 0.00 57.16 52.26 2dai n GLU 22 Cb 0.50 -2.39 -0.13 0.00 0.00 0.00 0.00 31.44 29.42 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 -2.13 -0.29 -0.10 -1.84 2.15 -1.26 -5.15 116.67 108.04 2dai s ASP 23 Ca 0.42 0.56 -0.04 0.00 0.43 0.00 0.00 52.55 53.93 2dai s ASP 23 Cb 0.22 0.46 -0.04 0.00 -0.30 0.00 0.00 42.92 43.27 2dai s ASP 23 CO -0.13 -0.16 0.05 -1.61 -0.17 0.00 0.00 175.17 173.15 2dai s GLU 24 N 1.14 3.16 -0.23 4.34 2.02 -1.26 -5.10 118.70 122.77 2dai s GLU 24 Ca -0.08 -0.31 -0.26 0.00 0.02 0.00 0.00 54.97 54.33 2dai s GLU 24 Cb -0.09 -2.94 0.08 0.00 0.10 0.00 0.00 34.13 31.28 2dai s GLU 24 CO -0.08 0.72 0.78 -0.51 0.02 0.00 0.00 175.26 176.19 2dai s ASP 25 N -0.90 -0.67 -0.91 -0.19 1.01 -1.26 -5.10 116.67 108.66 2dai s ASP 25 Ca 0.14 1.19 -0.02 0.00 0.71 0.00 0.00 52.55 54.57 2dai s ASP 25 Cb -0.12 1.17 0.23 0.00 1.01 0.00 0.00 42.92 45.22 2dai s ASP 25 CO 0.03 -0.29 0.84 1.21 0.21 0.00 0.00 175.17 177.17 2dai n GLU 26 N 2.25 2.79 -3.65 8.23 0.00 -1.26 -4.98 120.64 124.02 2dai n GLU 26 Ca -0.14 -4.49 -0.02 0.00 0.00 0.00 0.00 57.16 52.50 2dai n GLU 26 Cb 0.56 -2.42 -0.05 0.00 0.00 0.00 0.00 31.44 29.52 2dai n GLU 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2dai s ARG 27 N -1.53 0.05 1.16 5.31 3.52 -1.26 -5.16 118.95 121.04 2dai s ARG 27 Ca 0.29 0.03 -0.14 0.00 -0.13 0.00 0.00 55.73 55.78 2dai s ARG 27 Cb -0.05 0.02 0.26 0.00 -1.56 0.00 0.00 34.95 33.62 2dai s ARG 27 CO -0.11 -0.01 0.85 0.28 -0.81 0.00 0.00 175.30 175.50 2dai n VAL 28 N 0.97 0.00 -3.27 7.11 0.31 -1.26 -4.95 118.33 117.24 2dai n VAL 28 Ca -0.04 -0.41 -0.39 0.00 -0.01 0.00 0.00 64.34 63.48 2dai n VAL 28 Cb 0.58 -0.93 -0.07 0.00 -0.91 0.00 0.00 33.84 32.51 2dai n VAL 28 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dai s ASP 29 N -2.31 6.55 0.19 4.52 2.15 -1.26 -4.95 116.67 121.56 2dai s ASP 29 Ca 0.66 0.66 0.04 0.00 0.43 0.00 0.00 52.55 54.35 2dai s ASP 29 Cb -0.23 -2.28 0.06 0.00 -0.30 0.00 0.00 42.92 40.16 2dai s ASP 29 CO 0.65 -0.16 1.43 1.05 -0.17 0.00 0.00 175.17 177.97 2dai h GLU 30 N 7.41 0.15 0.09 4.34 4.11 -1.98 -2.45 114.58 126.25 2dai h GLU 30 Ca -0.34 -0.15 0.02 0.00 0.07 0.00 0.00 59.36 58.96 2dai h GLU 30 Cb 1.16 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2dai h GLU 30 CO 0.74 0.88 -0.31 0.00 0.07 0.00 0.00 179.01 180.39 2dai h ALA 31 N 1.07 -0.51 0.54 1.06 0.00 -1.99 0.39 119.26 119.81 2dai h ALA 31 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2dai h ALA 31 Cb 1.42 0.52 0.01 0.00 0.00 0.00 0.00 17.79 19.73 2dai h ALA 31 CO 0.12 -0.85 -0.26 0.00 0.00 0.00 0.00 179.25 178.26 2dai h ALA 32 N 0.16 -0.73 -0.95 0.00 0.00 -1.92 -2.72 119.26 113.11 2dai h ALA 32 Ca 0.04 -0.19 0.28 0.00 0.00 0.00 0.00 54.91 55.04 2dai h ALA 32 Cb 0.56 0.28 -0.17 0.00 0.00 0.00 0.00 17.79 18.46 2dai h ALA 32 CO -0.20 -0.83 0.16 1.25 0.00 0.00 0.00 179.25 179.62 2dai h LEU 33 N -0.88 -0.22 -0.43 0.00 5.85 -1.22 1.00 115.31 119.40 2dai h LEU 33 Ca -0.07 0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.97 2dai h LEU 33 Cb 0.61 0.39 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 2dai h LEU 33 CO 0.12 -0.30 0.05 -0.09 -0.34 0.00 0.00 178.44 177.88 2dai h ARG 34 N 0.07 0.16 -0.03 1.25 9.65 0.08 0.40 114.38 125.96 2dai h ARG 34 Ca 0.61 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.52 2dai h ARG 34 Cb 1.31 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.80 2dai h ARG 34 CO -0.81 0.11 -0.32 1.96 2.80 0.00 0.00 179.97 183.71 2dai h GLN 35 N 0.16 -0.43 0.66 0.20 4.20 0.13 0.54 115.11 120.56 2dai h GLN 35 Ca 0.22 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 2dai h GLN 35 Cb 0.29 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2dai h GLN 35 CO -0.32 -0.29 -0.38 -0.07 -0.67 0.00 0.00 178.83 177.11 2dai h LEU 36 N -0.45 -0.93 -1.98 1.46 3.38 -0.76 -0.08 115.31 115.95 2dai h LEU 36 Ca 0.07 0.05 0.40 0.00 0.09 0.00 0.00 57.88 58.49 2dai h LEU 36 Cb 0.55 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2dai h LEU 36 CO -0.29 -0.59 0.99 0.71 0.09 0.00 0.00 178.44 179.35 2dai h THR 37 N -0.96 0.31 -0.09 0.22 1.35 -0.03 1.44 112.91 115.15 2dai h THR 37 Ca -0.09 -0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.55 2dai h THR 37 Cb 0.76 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2dai h THR 37 CO 0.11 0.00 -0.81 -0.33 -0.25 0.00 0.00 175.52 174.24 2dai h GLU 38 N 0.01 0.60 0.05 4.72 4.39 0.10 -3.28 114.58 121.16 2dai h GLU 38 Ca 0.66 -0.52 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2dai h GLU 38 Cb 2.63 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 31.40 2dai h GLU 38 CO -0.02 1.14 -0.02 0.52 -1.16 0.00 0.00 179.01 179.47 2dai h MET 39 N 0.39 -0.06 0.00 2.33 2.86 0.38 -3.47 114.93 117.36 2dai h MET 39 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2dai h MET 39 Cb 1.42 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.10 2dai h MET 39 CO 0.15 0.10 0.00 0.41 1.06 0.00 0.00 176.91 178.64 2dai n GLY 40 N -0.70 -0.13 3.21 8.32 0.00 -0.62 -5.11 105.19 110.17 2dai n GLY 40 Ca -0.08 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 1.30 -0.11 1.61 0.08 -1.23 -5.03 117.98 114.61 2dai s PHE 41 Ca 0.00 -0.53 -0.30 0.00 0.12 0.00 0.00 56.93 56.22 2dai s PHE 41 Cb 0.00 -0.70 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 2dai s PHE 41 CO 0.00 0.10 1.25 -1.25 -0.10 0.00 0.00 175.22 175.21 2dai s PRO 42 N -2.34 4.29 0.22 0.24 0.04 -1.26 -4.33 135.00 131.86 2dai s PRO 42 Ca 0.05 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 2dai s PRO 42 Cb -0.07 -3.67 0.25 0.00 0.04 0.00 0.00 34.50 31.05 2dai s PRO 42 CO 0.02 -0.59 1.58 1.49 0.04 0.00 0.00 177.00 179.55 2dai h GLU 43 N 7.88 -0.05 -0.20 4.56 4.81 -1.96 0.85 114.58 130.47 2dai h GLU 43 Ca -0.30 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.95 2dai h GLU 43 Cb 1.13 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2dai h GLU 43 CO 0.93 -0.04 -0.13 -2.95 -0.73 0.00 0.00 179.01 176.09 2dai h ASN 44 N -0.06 -0.46 0.41 1.04 -1.07 -1.99 1.23 115.58 114.67 2dai h ASN 44 Ca 0.33 0.07 -0.02 0.00 0.07 0.00 0.00 56.30 56.75 2dai h ASN 44 Cb 0.58 0.20 0.00 0.00 -2.07 0.00 0.00 38.32 37.04 2dai h ASN 44 CO -0.81 -0.05 -0.20 0.03 0.07 0.00 0.00 177.43 176.46 2dai h ARG 45 N -0.01 -0.54 -0.98 4.14 3.08 -1.64 -2.32 114.38 116.11 2dai h ARG 45 Ca 0.03 0.04 0.27 0.00 0.07 0.00 0.00 59.98 60.39 2dai h ARG 45 Cb 0.09 0.12 -0.18 0.00 0.08 0.00 0.00 29.97 30.09 2dai h ARG 45 CO -0.20 -0.36 0.05 0.00 -1.07 0.00 0.00 179.97 178.39 2dai h ALA 46 N 0.04 1.18 0.38 0.04 0.00 0.16 0.73 119.26 121.79 2dai h ALA 46 Ca -0.05 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2dai h ALA 46 Cb 0.43 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2dai h ALA 46 CO 0.08 -0.57 -0.20 1.15 0.00 0.00 0.00 179.25 179.71 2dai h THR 47 N 0.02 0.00 -0.42 0.00 2.02 0.20 0.61 112.91 115.33 2dai h THR 47 Ca 0.60 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.85 2dai h THR 47 Cb 1.23 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.55 2dai h THR 47 CO -0.90 0.00 -0.43 0.50 0.37 0.00 0.00 175.52 175.06 2dai h LYS 48 N -0.54 -0.30 -0.38 6.66 3.64 -0.48 -0.83 116.57 124.34 2dai h LYS 48 Ca -0.05 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2dai h LYS 48 Cb 0.42 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 2dai h LYS 48 CO 0.07 -0.20 -0.38 0.00 -2.27 0.00 0.00 179.45 176.67 2dai h ALA 49 N 0.46 -0.56 -0.94 5.00 0.00 0.42 -0.26 119.26 123.38 2dai h ALA 49 Ca 0.14 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2dai h ALA 49 Cb 0.58 1.07 -0.11 0.00 0.00 0.00 0.00 17.79 19.32 2dai h ALA 49 CO -0.59 -0.77 -0.56 -0.07 0.00 0.00 0.00 179.25 177.27 2dai h LEU 50 N -0.20 -2.04 -1.44 0.00 3.38 0.18 2.26 115.31 117.45 2dai h LEU 50 Ca 0.06 0.31 0.36 0.00 0.09 0.00 0.00 57.88 58.70 2dai h LEU 50 Cb 0.37 0.90 -0.11 0.00 0.09 0.00 0.00 40.66 41.91 2dai h LEU 50 CO -0.47 -0.22 0.78 1.56 0.09 0.00 0.00 178.44 180.19 2dai h GLN 51 N -0.00 0.20 0.06 1.13 4.20 0.20 1.76 115.11 122.66 2dai h GLN 51 Ca 0.15 -0.01 -0.26 0.00 0.06 0.00 0.00 58.65 58.58 2dai h GLN 51 Cb 0.39 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2dai h GLN 51 CO -0.88 0.13 -1.30 -0.07 -0.67 0.00 0.00 178.83 176.04 2dai h LEU 52 N 0.21 0.21 -3.72 1.46 3.38 0.46 -3.27 115.31 114.03 2dai h LEU 52 Ca 0.71 -0.27 -0.50 0.00 0.09 0.00 0.00 57.88 57.92 2dai h LEU 52 Cb 2.13 -0.07 -0.22 0.00 0.09 0.00 0.00 40.66 42.59 2dai h LEU 52 CO -0.33 1.22 0.64 0.59 0.09 0.00 0.00 178.44 180.65 2dai n ASN 53 N -3.38 6.76 -4.30 -0.43 5.03 0.55 -4.83 115.26 114.65 2dai n ASN 53 Ca -0.09 -3.42 -0.39 0.00 0.87 0.00 0.00 54.58 51.55 2dai n ASN 53 Cb 1.00 -0.99 -0.07 0.00 -1.02 0.00 0.00 39.78 38.70 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 -0.36 -1.07 -3.57 3.10 -0.00 0.27 0.18 115.22 113.77 2dai n HIS 54 Ca 0.47 0.63 -0.19 0.00 0.46 0.00 0.00 57.72 59.09 2dai n HIS 54 Cb 0.70 -1.75 0.06 0.00 -0.12 0.00 0.00 29.99 28.88 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 -3.80 -5.47 -3.85 1.57 2.81 0.41 -4.96 117.12 103.83 2dai n MET 55 Ca 0.09 0.73 -0.36 0.00 -1.81 0.00 0.00 57.70 56.34 2dai n MET 55 Cb 0.42 -5.48 -0.07 0.00 -0.71 0.00 0.00 33.22 27.39 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 -4.31 6.30 -0.06 7.83 0.15 0.46 -4.94 113.70 119.14 2dai s SER 56 Ca 0.03 0.39 -0.25 0.00 0.70 0.00 0.00 55.95 56.82 2dai s SER 56 Cb -0.01 -2.06 -0.24 0.00 -1.71 0.00 0.00 66.02 62.01 2dai s SER 56 CO 0.77 0.34 1.01 0.58 1.20 0.00 0.00 173.24 177.15 2dai h VAL 57 N 4.19 1.57 0.16 4.45 2.07 -1.90 -2.82 116.25 123.96 2dai h VAL 57 Ca -0.51 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 2dai h VAL 57 Cb 1.21 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.79 2dai h VAL 57 CO 0.63 0.53 -0.08 1.55 0.02 0.00 0.00 177.57 180.22 2dai h PRO 58 N -0.57 -0.21 -0.88 1.57 0.13 -1.97 -3.22 132.00 126.85 2dai h PRO 58 Ca -0.03 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.28 2dai h PRO 58 Cb 0.97 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 31.99 2dai h PRO 58 CO 0.04 -0.14 -0.27 1.96 -0.23 0.00 0.00 178.00 179.36 2dai h GLN 59 N -0.69 -0.02 -0.73 0.86 4.20 -1.92 0.22 115.11 117.03 2dai h GLN 59 Ca -0.02 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.78 2dai h GLN 59 Cb 0.17 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.84 2dai h GLN 59 CO 0.04 -0.01 -0.50 0.00 -0.67 0.00 0.00 178.83 177.68 2dai h ALA 60 N 1.70 -0.43 -0.81 3.87 0.00 -1.62 -0.04 119.26 121.92 2dai h ALA 60 Ca 0.39 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.49 2dai h ALA 60 Cb 0.63 1.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.46 2dai h ALA 60 CO -0.91 -0.89 -0.48 -0.12 0.00 0.00 0.00 179.25 176.85 2dai n MET 61 N -5.36 -0.36 -0.17 0.00 0.00 0.77 0.11 117.12 112.11 2dai n MET 61 Ca 0.02 1.27 -0.02 0.00 -0.00 0.00 0.00 57.70 58.97 2dai n MET 61 Cb 0.33 -1.87 0.08 0.00 0.00 0.00 0.00 33.22 31.76 2dai n MET 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2dai h GLU 62 N 0.00 0.25 -0.56 2.12 4.39 -0.99 0.46 114.58 120.25 2dai h GLU 62 Ca 0.13 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.87 2dai h GLU 62 Cb 0.33 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 2dai h GLU 62 CO -0.76 0.17 0.27 2.35 -1.16 0.00 0.00 179.01 179.88 2dai h TRP 63 N 0.26 0.49 0.00 4.33 7.01 0.19 1.53 115.95 129.76 2dai h TRP 63 Ca 0.27 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.25 2dai h TRP 63 Cb 0.36 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 2dai h TRP 63 CO -0.22 0.21 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.38 2dai h LEU 64 N 0.51 0.00 0.04 0.65 3.38 0.28 1.25 115.31 121.42 2dai h LEU 64 Ca 0.26 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 2dai h LEU 64 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 2dai h LEU 64 CO -0.20 0.19 -0.44 0.40 0.09 0.00 0.00 178.44 178.48 2dai h ILE 65 N 0.00 1.56 -0.09 1.22 2.04 0.34 0.37 117.51 122.96 2dai h ILE 65 Ca -0.00 -2.23 -0.02 0.00 1.00 0.00 0.00 64.86 63.60 2dai h ILE 65 Cb 0.36 2.99 -0.00 0.00 -0.74 0.00 0.00 36.82 39.43 2dai h ILE 65 CO 0.02 0.62 -0.04 -0.33 0.00 0.00 0.00 178.15 178.42 2dai h GLU 66 N -0.49 0.18 0.00 2.37 4.39 0.24 -2.67 114.58 118.60 2dai h GLU 66 Ca -0.07 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2dai h GLU 66 Cb 1.26 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2dai h GLU 66 CO 0.08 0.55 0.00 0.72 -1.16 0.00 0.00 179.01 179.20 2dai n HIS 67 N -4.75 0.11 -0.69 4.33 8.25 0.42 -3.46 115.22 119.44 2dai n HIS 67 Ca -0.07 0.04 0.52 0.00 -0.26 0.00 0.00 57.72 57.95 2dai n HIS 67 Cb 0.26 -0.56 0.82 0.00 1.12 0.00 0.00 29.99 31.63 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 2.70 3.80 -1.62 -1.41 0.00 -0.54 0.85 119.26 123.04 2dai h ALA 68 Ca 0.00 -0.06 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 2dai h ALA 68 Cb 0.39 0.15 -0.41 0.00 0.00 0.00 0.00 17.79 17.92 2dai h ALA 68 CO 0.00 -2.37 -0.88 0.39 0.00 0.00 0.00 179.25 176.39 2dai n GLU 69 N -3.99 2.54 -4.22 0.00 1.02 -1.22 -5.06 120.64 109.71 2dai n GLU 69 Ca 0.44 -4.14 -0.33 0.00 -0.02 0.00 0.00 57.16 53.11 2dai n GLU 69 Cb 1.98 -1.94 -0.08 0.00 -0.02 0.00 0.00 31.44 31.38 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 -3.29 5.32 -0.08 1.62 2.15 0.29 -5.04 116.67 117.65 2dai s ASP 70 Ca 0.42 0.05 -0.27 0.00 0.43 0.00 0.00 52.55 53.18 2dai s ASP 70 Cb 0.38 -1.44 -0.23 0.00 -0.30 0.00 0.00 42.92 41.33 2dai s ASP 70 CO -0.11 0.28 1.01 1.55 -0.17 0.00 0.00 175.17 177.73 2dai h PRO 71 N 4.28 0.01 -0.60 4.34 0.13 -1.88 -3.31 132.00 134.97 2dai h PRO 71 Ca -0.49 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.75 2dai h PRO 71 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 2dai h PRO 71 CO 0.59 0.76 -0.14 1.79 -0.23 0.00 0.00 178.00 180.77 2dai h THR 72 N -0.73 0.41 -1.39 1.56 1.35 -1.97 0.59 112.91 112.73 2dai h THR 72 Ca -0.00 -0.00 0.44 0.00 -0.55 0.00 0.00 66.41 66.29 2dai h THR 72 Cb 0.77 0.40 -0.11 0.00 -1.73 0.00 0.00 68.15 67.48 2dai h THR 72 CO 0.00 0.00 0.92 -0.29 -0.25 0.00 0.00 175.52 175.91 2dai h ILE 73 N 0.01 0.16 0.00 6.82 2.10 -1.92 -3.40 117.51 121.28 2dai h ILE 73 Ca 0.29 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 66.20 2dai h ILE 73 Cb 0.44 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.23 2dai h ILE 73 CO -0.61 0.02 0.00 -0.67 -1.08 0.00 0.00 178.15 175.81 2dai n ASP 74 N -4.53 0.00 -4.34 2.19 -0.08 0.20 -5.06 116.55 104.92 2dai n ASP 74 Ca 0.36 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 53.23 2dai n ASP 74 Cb 1.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.93 2dai n ASP 74 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2dai n THR 75 N 0.00 0.97 -1.52 5.18 -1.04 -1.03 -4.54 114.28 112.31 2dai n THR 75 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 2dai n THR 75 Cb 0.00 -0.18 0.21 0.00 -1.82 0.00 0.00 70.33 68.54 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 -1.22 -0.29 0.05 -2.82 0.04 -1.26 -5.05 135.00 124.44 2dai s PRO 76 Ca 0.61 -0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.42 2dai s PRO 76 Cb -0.60 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2dai s PRO 76 CO 0.61 -3.06 -0.09 -0.51 0.04 0.00 0.00 177.00 173.99 2dai s LEU 77 N -6.41 2.24 -0.40 -3.56 1.43 -1.26 -5.11 118.68 105.61 2dai s LEU 77 Ca 0.73 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 2dai s LEU 77 Cb -0.07 -0.26 0.17 0.00 0.03 0.00 0.00 46.19 46.07 2dai s LEU 77 CO 0.54 -0.15 0.51 -0.94 0.23 0.00 0.00 176.35 176.54 2dai s SER 78 N -1.51 -0.18 0.00 2.29 1.04 -1.26 -4.99 113.70 109.09 2dai s SER 78 Ca -0.07 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.06 2dai s SER 78 Cb -0.09 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.26 2dai s SER 78 CO 0.01 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2dai n GLY 79 N 4.19 -1.28 0.11 7.32 0.00 -1.26 -5.02 105.19 109.25 2dai n GLY 79 Ca 0.12 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.53 2dai n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dai h PRO 80 N 0.00 -0.16 -3.57 1.61 0.13 -2.07 -3.50 132.00 124.45 2dai h PRO 80 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2dai h PRO 80 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 2dai h PRO 80 CO 0.00 0.29 -0.81 0.45 -0.23 0.00 0.00 178.00 177.70 2dai n SER 81 N -4.86 -8.20 -3.74 1.44 2.88 -1.26 -5.06 113.62 94.83 2dai n SER 81 Ca -0.07 1.15 -0.12 0.00 -1.33 0.00 0.00 58.87 58.50 2dai n SER 81 Cb 0.26 -4.21 -0.12 0.00 -0.75 0.00 0.00 64.21 59.38 2dai n SER 81 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dai s SER 82 N -1.45 -0.31 0.00 -3.46 1.04 -1.26 -5.22 113.70 103.05 2dai s SER 82 Ca 0.00 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2dai s SER 82 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2dai s SER 82 CO 0.00 -0.15 0.01 0.61 0.98 0.00 0.00 173.24 174.69