#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 -0.13 0.00 1.61 1.04 -1.26 -5.19 113.70 109.77 2dai s SER 2 Ca 0.00 -0.11 -0.30 0.00 0.48 0.00 0.00 55.95 56.03 2dai s SER 2 Cb 0.00 0.22 0.11 0.00 0.10 0.00 0.00 66.02 66.45 2dai s SER 2 CO 0.00 -0.39 1.24 -0.55 0.98 0.00 0.00 173.24 174.52 2dai s SER 3 N -2.63 -0.08 0.00 7.02 0.15 -1.26 -5.19 113.70 111.71 2dai s SER 3 Ca 0.11 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2dai s SER 3 Cb 0.01 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2dai s SER 3 CO -0.04 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2dai n GLY 4 N -0.47 3.84 3.15 9.45 0.00 -1.26 -5.16 105.19 114.74 2dai n GLY 4 Ca -0.08 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.44 2dai n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dai s SER 5 N -0.83 -0.79 0.00 1.61 1.04 -1.26 -5.17 113.70 108.31 2dai s SER 5 Ca 0.00 0.41 -0.20 0.00 0.48 0.00 0.00 55.95 56.63 2dai s SER 5 Cb 0.00 1.62 0.04 0.00 0.10 0.00 0.00 66.02 67.78 2dai s SER 5 CO 0.00 -0.15 0.44 -0.44 0.98 0.00 0.00 173.24 174.08 2dai s SER 6 N 2.92 -0.35 0.00 7.02 0.01 -1.26 -5.04 113.70 117.00 2dai s SER 6 Ca 0.09 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.55 2dai s SER 6 Cb -0.10 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2dai s SER 6 CO -0.16 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2dai n GLY 7 N 0.85 -0.94 5.00 3.44 0.00 -1.26 -5.04 105.19 107.24 2dai n GLY 7 Ca -0.20 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2dai n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dai n ASP 8 N 0.00 0.00 -1.28 1.61 2.03 -1.26 -4.82 116.55 112.84 2dai n ASP 8 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2dai n ASP 8 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2dai n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dai n ALA 9 N 0.00 -2.17 -3.08 -1.67 0.00 -1.26 -4.98 120.51 107.35 2dai n ALA 9 Ca 0.00 0.34 -0.20 0.00 0.00 0.00 0.00 53.44 53.58 2dai n ALA 9 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 2dai n ALA 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dai n VAL 10 N -0.15 -0.51 -4.00 0.00 0.31 -1.26 -5.11 118.33 107.61 2dai n VAL 10 Ca 0.00 -3.42 -0.11 0.00 -0.01 0.00 0.00 64.34 60.80 2dai n VAL 10 Cb 0.00 -1.05 -0.12 0.00 -0.91 0.00 0.00 33.84 31.76 2dai n VAL 10 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2dai s GLU 11 N -0.77 0.34 -0.19 5.55 2.12 -1.26 -5.13 118.70 119.35 2dai s GLU 11 Ca 0.34 -0.52 -0.03 0.00 0.36 0.00 0.00 54.97 55.12 2dai s GLU 11 Cb 0.19 -0.07 0.06 0.00 0.26 0.00 0.00 34.13 34.57 2dai s GLU 11 CO -0.14 0.00 0.05 -1.17 -0.54 0.00 0.00 175.26 173.47 2dai s LEU 12 N -1.15 0.97 -0.37 2.70 2.96 -1.26 -5.08 118.68 117.45 2dai s LEU 12 Ca -0.10 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 2dai s LEU 12 Cb -0.08 -0.50 0.12 0.00 0.50 0.00 0.00 46.19 46.24 2dai s LEU 12 CO -0.00 -0.32 0.18 0.12 -1.32 0.00 0.00 176.35 175.00 2dai s PHE 13 N 1.93 1.47 0.03 5.38 5.36 -1.26 -5.10 117.98 125.79 2dai s PHE 13 Ca 0.00 -1.90 -0.09 0.00 -0.96 0.00 0.00 56.93 53.98 2dai s PHE 13 Cb -0.17 -1.53 0.00 0.00 -0.34 0.00 0.00 43.02 40.99 2dai s PHE 13 CO -0.09 -0.83 0.19 -1.59 -1.46 0.00 0.00 175.22 171.44 2dai s LYS 14 N 1.05 0.66 0.32 10.12 -2.85 -1.26 -5.12 119.74 122.66 2dai s LYS 14 Ca 0.15 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 2dai s LYS 14 Cb -0.21 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2dai s LYS 14 CO -0.10 -0.18 0.00 1.63 0.10 0.00 0.00 175.35 176.79 2dai n LYS 15 N 0.83 -2.13 -2.20 1.78 5.02 -1.26 -5.03 118.16 115.17 2dai n LYS 15 Ca -0.20 1.57 -0.01 0.00 -2.02 0.00 0.00 58.31 57.65 2dai n LYS 15 Cb 0.58 -2.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.03 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 -2.90 -2.43 -0.08 7.82 0.00 -1.26 -4.98 120.51 116.69 2dai n ALA 16 Ca -0.02 0.73 -0.13 0.00 0.00 0.00 0.00 53.44 54.02 2dai n ALA 16 Cb 0.46 -1.78 -0.08 0.00 0.00 0.00 0.00 19.45 18.05 2dai n ALA 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2dai h ASN 17 N 3.61 0.00 -5.63 0.00 4.21 -2.05 -3.49 115.58 112.22 2dai h ASN 17 Ca -0.09 -0.48 -0.10 0.00 1.21 0.00 0.00 56.30 56.84 2dai h ASN 17 Cb 0.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 2dai h ASN 17 CO 0.00 1.04 -0.45 0.00 -1.29 0.00 0.00 177.43 176.74 2dai n ALA 18 N -3.10 -2.71 -2.59 -0.83 0.00 -1.26 -5.02 120.51 105.00 2dai n ALA 18 Ca -0.16 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.51 2dai n ALA 18 Cb 0.43 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 17.40 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 -3.03 1.09 0.00 0.00 0.00 -1.26 -5.07 119.30 111.03 2dai s MET 19 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 55.69 55.08 2dai s MET 19 Cb -0.03 -1.11 0.00 0.00 0.00 0.00 0.00 34.83 33.69 2dai s MET 19 CO 0.79 0.28 0.00 1.28 0.00 0.00 0.00 175.02 177.37 2dai n LEU 20 N 2.07 0.00 -3.57 4.11 4.32 -1.26 -5.19 117.00 117.48 2dai n LEU 20 Ca -0.17 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.77 2dai n LEU 20 Cb 0.54 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.33 2dai n LEU 20 CO 0.23 0.00 0.86 -0.62 -1.22 0.00 0.00 177.39 176.64 2dai s ASP 21 N 1.88 -0.23 -0.04 -1.43 -1.08 -1.26 -5.16 116.67 109.35 2dai s ASP 21 Ca 0.00 -0.05 -0.14 0.00 -0.52 0.00 0.00 52.55 51.84 2dai s ASP 21 Cb 0.00 0.28 -0.05 0.00 -1.46 0.00 0.00 42.92 41.68 2dai s ASP 21 CO 0.00 -0.46 0.36 -1.83 0.52 0.00 0.00 175.17 173.76 2dai s GLU 22 N -2.79 3.89 -0.14 4.34 -1.05 -1.26 -5.06 118.70 116.63 2dai s GLU 22 Ca 0.08 0.30 -0.32 0.00 -0.15 0.00 0.00 54.97 54.88 2dai s GLU 22 Cb -0.00 -3.25 0.13 0.00 -0.44 0.00 0.00 34.13 30.57 2dai s GLU 22 CO -0.06 0.63 1.10 0.34 0.95 0.00 0.00 175.26 178.23 2dai s ASP 23 N -0.83 -0.22 0.73 0.83 -1.08 -1.26 -5.15 116.67 109.69 2dai s ASP 23 Ca 0.22 0.05 -0.16 0.00 -0.52 0.00 0.00 52.55 52.14 2dai s ASP 23 Cb -0.15 0.22 -0.02 0.00 -1.46 0.00 0.00 42.92 41.51 2dai s ASP 23 CO 0.11 -0.34 0.68 1.21 0.52 0.00 0.00 175.17 177.35 2dai n GLU 24 N 0.02 0.33 -3.88 4.34 4.07 -1.26 -5.02 120.64 119.24 2dai n GLU 24 Ca -0.03 0.16 -0.11 0.00 -0.06 0.00 0.00 57.16 57.12 2dai n GLU 24 Cb 0.59 -1.97 -0.09 0.00 -0.06 0.00 0.00 31.44 29.91 2dai n GLU 24 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2dai s ASP 25 N -1.57 0.07 -0.03 4.31 -4.77 -1.26 -5.08 116.67 108.34 2dai s ASP 25 Ca 0.68 -0.33 -0.08 0.00 -3.30 0.00 0.00 52.55 49.51 2dai s ASP 25 Cb -0.34 0.23 -0.03 0.00 -1.09 0.00 0.00 42.92 41.69 2dai s ASP 25 CO 0.56 -0.45 -0.16 -0.62 0.70 0.00 0.00 175.17 175.19 2dai n GLU 26 N 1.08 0.24 -4.22 2.11 1.02 -1.26 -5.06 120.64 114.56 2dai n GLU 26 Ca -0.21 0.10 -0.27 0.00 -0.02 0.00 0.00 57.16 56.76 2dai n GLU 26 Cb 0.57 -0.92 -0.08 0.00 -0.02 0.00 0.00 31.44 30.99 2dai n GLU 26 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2dai s ARG 27 N -2.41 2.35 1.00 3.49 6.06 -1.26 -5.09 118.95 123.09 2dai s ARG 27 Ca -0.13 -1.12 -0.19 0.00 -2.50 0.00 0.00 55.73 51.79 2dai s ARG 27 Cb 0.02 -2.33 -0.11 0.00 0.06 0.00 0.00 34.95 32.58 2dai s ARG 27 CO 0.20 0.46 -0.76 0.28 -2.50 0.00 0.00 175.30 172.98 2dai n VAL 28 N -0.05 0.00 -3.19 7.11 0.31 -1.26 -4.89 118.33 116.36 2dai n VAL 28 Ca -0.10 -0.31 -0.39 0.00 -0.01 0.00 0.00 64.34 63.53 2dai n VAL 28 Cb 0.55 -0.14 -0.06 0.00 -0.91 0.00 0.00 33.84 33.28 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 -1.22 7.02 -0.09 4.52 2.15 -1.26 -4.98 116.67 122.81 2dai s ASP 29 Ca 0.43 1.22 -0.17 0.00 0.43 0.00 0.00 52.55 54.45 2dai s ASP 29 Cb -0.11 -2.38 -0.28 0.00 -0.30 0.00 0.00 42.92 39.86 2dai s ASP 29 CO 0.75 0.12 0.63 1.05 -0.17 0.00 0.00 175.17 177.55 2dai h GLU 30 N 5.44 0.25 -0.29 4.34 4.11 -1.98 -2.83 114.58 123.62 2dai h GLU 30 Ca -0.46 -0.43 0.06 0.00 0.07 0.00 0.00 59.36 58.61 2dai h GLU 30 Cb 1.20 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.53 2dai h GLU 30 CO 0.69 1.20 -0.36 0.00 0.07 0.00 0.00 179.01 180.61 2dai h ALA 31 N -0.03 -0.35 0.47 1.06 0.00 -2.00 0.28 119.26 118.70 2dai h ALA 31 Ca -0.27 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2dai h ALA 31 Cb 1.72 0.73 0.00 0.00 0.00 0.00 0.00 17.79 20.25 2dai h ALA 31 CO 0.07 -0.80 -0.23 0.00 0.00 0.00 0.00 179.25 178.29 2dai h ALA 32 N 0.50 -0.63 -0.97 0.00 0.00 -1.94 -2.93 119.26 113.28 2dai h ALA 32 Ca 0.13 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2dai h ALA 32 Cb 0.56 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 2dai h ALA 32 CO -0.48 -0.84 -0.56 1.25 0.00 0.00 0.00 179.25 178.62 2dai h LEU 33 N -0.66 -2.06 -0.93 0.00 5.85 -1.09 0.67 115.31 117.09 2dai h LEU 33 Ca -0.06 0.32 0.19 0.00 0.84 0.00 0.00 57.88 59.17 2dai h LEU 33 Cb 0.50 0.92 -0.18 0.00 0.37 0.00 0.00 40.66 42.28 2dai h LEU 33 CO 0.11 -0.25 -0.20 -0.09 -0.34 0.00 0.00 178.44 177.67 2dai h ARG 34 N -0.02 0.00 -0.19 1.25 2.43 -0.32 0.35 114.38 117.89 2dai h ARG 34 Ca 0.18 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.40 2dai h ARG 34 Cb 0.44 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 2dai h ARG 34 CO -0.93 0.00 -0.39 1.96 -1.51 0.00 0.00 179.97 179.10 2dai h GLN 35 N 0.00 -0.42 0.44 0.20 4.20 0.50 1.38 115.11 121.42 2dai h GLN 35 Ca 0.46 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.18 2dai h GLN 35 Cb 0.73 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 2dai h GLN 35 CO -0.94 -0.28 -0.26 -0.07 -0.67 0.00 0.00 178.83 176.61 2dai h LEU 36 N -0.43 -0.66 -1.76 1.46 3.38 0.10 0.29 115.31 117.68 2dai h LEU 36 Ca 0.10 0.03 0.36 0.00 0.09 0.00 0.00 57.88 58.46 2dai h LEU 36 Cb 0.60 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 2dai h LEU 36 CO -0.42 -0.41 0.87 0.71 0.09 0.00 0.00 178.44 179.28 2dai h THR 37 N -0.66 0.35 -0.05 0.22 1.35 -0.36 1.45 112.91 115.23 2dai h THR 37 Ca -0.06 -0.04 -0.19 0.00 -0.55 0.00 0.00 66.41 65.57 2dai h THR 37 Cb 0.52 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 2dai h THR 37 CO 0.07 0.02 -0.78 -0.33 -0.25 0.00 0.00 175.52 174.24 2dai h GLU 38 N 0.11 0.35 0.61 4.72 5.08 0.26 -3.33 114.58 122.38 2dai h GLU 38 Ca 0.65 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2dai h GLU 38 Cb 2.29 0.07 0.01 0.00 0.50 0.00 0.00 28.75 31.62 2dai h GLU 38 CO -0.13 0.98 -0.29 0.52 -1.00 0.00 0.00 179.01 179.08 2dai h MET 39 N 0.23 -0.78 0.00 2.33 2.86 0.57 -3.47 114.93 116.66 2dai h MET 39 Ca -0.04 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2dai h MET 39 Cb 1.37 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.21 2dai h MET 39 CO 0.13 -0.52 0.00 0.41 1.06 0.00 0.00 176.91 177.99 2dai n GLY 40 N -0.58 -1.00 3.00 8.32 0.00 -0.50 -5.10 105.19 109.33 2dai n GLY 40 Ca -0.10 0.28 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.31 0.02 1.61 0.08 -1.23 -5.03 117.98 113.75 2dai s PHE 41 Ca 0.00 -0.64 -0.30 0.00 0.12 0.00 0.00 56.93 56.11 2dai s PHE 41 Cb 0.00 -0.23 -0.05 0.00 -0.57 0.00 0.00 43.02 42.17 2dai s PHE 41 CO 0.00 -0.23 1.18 -1.25 -0.10 0.00 0.00 175.22 174.82 2dai s PRO 42 N -1.97 4.42 0.17 0.24 0.04 -1.26 -4.23 135.00 132.41 2dai s PRO 42 Ca -0.11 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 2dai s PRO 42 Cb -0.06 -3.42 0.06 0.00 0.04 0.00 0.00 34.50 31.12 2dai s PRO 42 CO -0.03 -0.29 1.58 1.49 0.04 0.00 0.00 177.00 179.79 2dai h GLU 43 N 7.00 -0.23 -0.93 4.56 4.81 -1.96 1.02 114.58 128.84 2dai h GLU 43 Ca -0.39 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.05 2dai h GLU 43 Cb 1.20 0.05 -0.18 0.00 0.63 0.00 0.00 28.75 30.46 2dai h GLU 43 CO 0.83 -0.15 -0.19 -2.95 -0.73 0.00 0.00 179.01 175.82 2dai h ASN 44 N -0.24 -0.79 0.34 1.04 -1.07 -1.98 1.42 115.58 114.30 2dai h ASN 44 Ca 0.18 0.28 -0.02 0.00 0.07 0.00 0.00 56.30 56.81 2dai h ASN 44 Cb 0.56 0.56 0.00 0.00 -2.07 0.00 0.00 38.32 37.37 2dai h ASN 44 CO -0.63 -0.31 -0.16 0.03 0.07 0.00 0.00 177.43 176.43 2dai h ARG 45 N 0.01 -0.44 -0.94 4.14 3.08 -1.07 -2.22 114.38 116.93 2dai h ARG 45 Ca 0.47 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.70 2dai h ARG 45 Cb 0.76 0.10 -0.16 0.00 0.08 0.00 0.00 29.97 30.75 2dai h ARG 45 CO -0.94 -0.29 -0.35 0.00 -1.07 0.00 0.00 179.97 177.31 2dai h ALA 46 N -1.25 0.23 -0.17 0.04 0.00 0.20 0.62 119.26 118.92 2dai h ALA 46 Ca -0.05 0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2dai h ALA 46 Cb 0.35 0.93 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2dai h ALA 46 CO 0.08 -0.58 -0.12 1.15 0.00 0.00 0.00 179.25 179.78 2dai h THR 47 N -0.02 0.65 0.10 0.00 2.02 0.18 0.37 112.91 116.21 2dai h THR 47 Ca 0.36 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.54 2dai h THR 47 Cb 0.61 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2dai h THR 47 CO -0.95 0.00 -0.15 0.50 0.37 0.00 0.00 175.52 175.29 2dai h LYS 48 N -0.12 -0.24 -0.76 6.66 3.64 0.69 -0.78 116.57 125.65 2dai h LYS 48 Ca 0.10 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.65 2dai h LYS 48 Cb 0.27 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.01 2dai h LYS 48 CO -0.25 -0.16 -0.24 0.00 -2.27 0.00 0.00 179.45 176.53 2dai h ALA 49 N -1.41 0.38 -0.99 5.00 0.00 -0.34 1.23 119.26 123.13 2dai h ALA 49 Ca -0.01 0.28 0.29 0.00 0.00 0.00 0.00 54.91 55.46 2dai h ALA 49 Cb 0.23 0.67 -0.14 0.00 0.00 0.00 0.00 17.79 18.55 2dai h ALA 49 CO -0.05 -0.48 0.55 -0.07 0.00 0.00 0.00 179.25 179.21 2dai h LEU 50 N -0.03 0.52 -0.92 0.00 3.38 0.24 1.96 115.31 120.46 2dai h LEU 50 Ca 0.35 0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.38 2dai h LEU 50 Cb 0.57 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2dai h LEU 50 CO -0.80 -0.06 -0.35 1.56 0.09 0.00 0.00 178.44 178.88 2dai h GLN 51 N 0.40 0.36 -0.66 1.13 4.20 0.30 0.64 115.11 121.47 2dai h GLN 51 Ca 0.69 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 59.24 2dai h GLN 51 Cb 1.47 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.24 2dai h GLN 51 CO -0.57 0.67 0.00 1.28 -0.67 0.00 0.00 178.83 179.54 2dai n LEU 52 N -4.07 4.34 -1.69 1.46 4.77 0.53 -4.03 117.00 118.32 2dai n LEU 52 Ca -0.01 -2.19 -0.03 0.00 -0.03 0.00 0.00 56.01 53.76 2dai n LEU 52 Cb 0.45 -0.54 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2dai n LEU 52 CO 0.42 0.81 0.15 0.59 -1.33 0.00 0.00 177.39 178.03 2dai n ASN 53 N 1.18 2.19 -2.47 -1.43 3.02 0.54 -4.95 115.26 113.34 2dai n ASN 53 Ca 0.24 -2.90 -0.02 0.00 -0.03 0.00 0.00 54.58 51.88 2dai n ASN 53 Cb 0.79 -0.41 -0.00 0.00 -0.61 0.00 0.00 39.78 39.54 2dai n ASN 53 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2dai n HIS 54 N -0.45 -1.84 -2.84 3.10 8.25 -1.15 0.19 115.22 120.48 2dai n HIS 54 Ca 0.18 0.03 -0.10 0.00 -0.26 0.00 0.00 57.72 57.57 2dai n HIS 54 Cb 0.91 -0.98 0.05 0.00 1.12 0.00 0.00 29.99 31.09 2dai n HIS 54 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2dai n MET 55 N -2.42 -3.61 -4.19 -0.41 2.81 0.22 -5.02 117.12 104.50 2dai n MET 55 Ca 0.01 0.54 -0.35 0.00 -1.81 0.00 0.00 57.70 56.08 2dai n MET 55 Cb 0.47 -4.54 -0.09 0.00 -0.71 0.00 0.00 33.22 28.35 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 -3.73 5.49 -0.01 7.83 0.01 0.49 -4.98 113.70 118.80 2dai s SER 56 Ca 0.06 0.15 -0.21 0.00 1.31 0.00 0.00 55.95 57.25 2dai s SER 56 Cb -0.01 -1.75 -0.23 0.00 0.21 0.00 0.00 66.02 64.24 2dai s SER 56 CO 0.46 0.30 1.09 0.58 0.41 0.00 0.00 173.24 176.07 2dai h VAL 57 N 4.46 1.46 0.16 3.43 2.07 -1.90 -2.89 116.25 123.05 2dai h VAL 57 Ca -0.45 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 2dai h VAL 57 Cb 1.19 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 2dai h VAL 57 CO 0.61 0.57 -0.08 1.55 0.02 0.00 0.00 177.57 180.24 2dai h PRO 58 N -0.23 -0.21 -0.98 1.57 0.13 -1.97 -3.22 132.00 127.08 2dai h PRO 58 Ca -0.06 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 65.27 2dai h PRO 58 Cb 1.18 0.05 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 2dai h PRO 58 CO 0.09 -0.14 -0.29 1.96 -0.23 0.00 0.00 178.00 179.39 2dai h GLN 59 N -0.70 -0.00 -0.78 0.86 1.08 -1.93 1.10 115.11 114.75 2dai h GLN 59 Ca -0.02 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.36 2dai h GLN 59 Cb 0.17 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.46 2dai h GLN 59 CO 0.04 -0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.92 2dai h ALA 60 N 1.80 0.81 -0.15 3.87 0.00 -1.63 0.23 119.26 124.19 2dai h ALA 60 Ca 0.43 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.62 2dai h ALA 60 Cb 0.68 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2dai h ALA 60 CO -1.00 -0.43 -0.36 1.98 0.00 0.00 0.00 179.25 179.44 2dai h MET 61 N 0.09 -0.33 -0.65 0.00 -1.53 0.13 0.82 114.93 113.46 2dai h MET 61 Ca 0.43 0.02 0.12 0.00 -3.44 0.00 0.00 59.70 56.83 2dai h MET 61 Cb 0.76 0.08 -0.09 0.00 -0.55 0.00 0.00 31.60 31.79 2dai h MET 61 CO -0.69 -0.22 0.18 0.93 0.14 0.00 0.00 176.91 177.24 2dai h GLU 62 N -0.34 0.30 -0.49 0.39 4.39 -1.05 0.80 114.58 118.58 2dai h GLU 62 Ca 0.03 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.76 2dai h GLU 62 Cb 0.43 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2dai h GLU 62 CO -0.32 0.20 0.33 2.35 -1.16 0.00 0.00 179.01 180.40 2dai h TRP 63 N 0.31 0.48 0.00 4.33 7.01 0.20 0.72 115.95 129.00 2dai h TRP 63 Ca 0.34 0.01 -0.18 0.00 2.11 0.00 0.00 58.89 61.18 2dai h TRP 63 Cb 0.51 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 2dai h TRP 63 CO -0.23 0.27 -0.84 -0.07 -2.79 0.00 0.00 178.44 174.79 2dai h LEU 64 N 0.49 0.10 -0.43 0.65 3.38 0.64 0.17 115.31 120.30 2dai h LEU 64 Ca 0.20 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 2dai h LEU 64 Cb 0.20 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2dai h LEU 64 CO -0.05 0.89 -0.76 0.40 0.09 0.00 0.00 178.44 179.01 2dai h ILE 65 N 0.04 1.44 0.00 1.22 2.04 0.33 -0.86 117.51 121.73 2dai h ILE 65 Ca -0.02 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.51 2dai h ILE 65 Cb 1.46 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 2dai h ILE 65 CO 0.12 0.68 -0.02 -0.33 0.00 0.00 0.00 178.15 178.60 2dai h GLU 66 N 0.15 0.00 -0.01 2.37 4.39 0.37 -3.32 114.58 118.53 2dai h GLU 66 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2dai h GLU 66 Cb 1.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2dai h GLU 66 CO 0.12 0.00 0.24 0.45 -1.16 0.00 0.00 179.01 178.66 2dai h HIS 67 N -0.47 0.00 -0.99 4.33 3.86 -0.81 -1.04 115.15 120.03 2dai h HIS 67 Ca 0.00 0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.51 2dai h HIS 67 Cb 0.02 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.34 2dai h HIS 67 CO -0.01 0.00 0.55 0.00 0.86 0.00 0.00 177.93 179.33 2dai h ALA 68 N 1.54 1.86 0.03 2.45 0.00 -1.24 0.95 119.26 124.84 2dai h ALA 68 Ca 0.01 0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 2dai h ALA 68 Cb 0.48 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2dai h ALA 68 CO -0.00 -0.49 -0.99 0.93 0.00 0.00 0.00 179.25 178.70 2dai h GLU 69 N 0.38 0.36 -6.38 0.00 5.08 -1.38 -3.44 114.58 109.20 2dai h GLU 69 Ca 0.70 -0.42 -0.59 0.00 -1.00 0.00 0.00 59.36 58.05 2dai h GLU 69 Cb 1.52 0.13 0.03 0.00 0.50 0.00 0.00 28.75 30.93 2dai h GLU 69 CO -0.58 1.11 1.02 -3.47 -1.00 0.00 0.00 179.01 176.09 2dai n ASP 70 N -3.70 3.47 0.23 1.42 2.03 0.33 -4.84 116.55 115.50 2dai n ASP 70 Ca -0.07 1.00 0.13 0.00 0.52 0.00 0.00 54.79 56.37 2dai n ASP 70 Cb 0.87 -1.42 0.39 0.00 -0.72 0.00 0.00 41.12 40.24 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 8.27 0.00 -2.66 -0.67 0.13 -1.87 -3.33 132.00 131.87 2dai h PRO 71 Ca -0.47 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.92 2dai h PRO 71 Cb 1.26 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.06 2dai h PRO 71 CO 0.93 0.09 0.34 0.25 -0.23 0.00 0.00 178.00 179.38 2dai n THR 72 N -3.16 4.41 -0.10 1.56 -2.24 -1.26 -4.65 114.28 108.84 2dai n THR 72 Ca 0.02 -5.72 -0.15 0.00 -2.27 0.00 0.00 64.05 55.93 2dai n THR 72 Cb 0.45 -2.07 -0.09 0.00 -2.10 0.00 0.00 70.33 66.53 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 1.12 1.13 -3.86 2.28 3.06 -1.25 -4.83 119.36 117.00 2dai n ILE 73 Ca 0.28 -0.41 -0.33 0.00 -2.50 0.00 0.00 62.75 59.78 2dai n ILE 73 Cb 0.35 -1.28 -0.12 0.00 0.54 0.00 0.00 39.64 39.13 2dai n ILE 73 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2dai s ASP 74 N -6.05 4.89 0.62 9.51 1.47 -1.26 -4.99 116.67 120.85 2dai s ASP 74 Ca -0.27 -2.54 0.00 0.00 1.18 0.00 0.00 52.55 50.92 2dai s ASP 74 Cb 0.07 -1.74 0.00 0.00 -0.34 0.00 0.00 42.92 40.91 2dai s ASP 74 CO 0.44 -0.38 0.00 1.07 0.68 0.00 0.00 175.17 176.99 2dai n THR 75 N 3.82 -1.67 -1.51 2.11 5.66 -1.26 -4.93 114.28 116.49 2dai n THR 75 Ca 0.04 1.14 -0.30 0.00 -3.05 0.00 0.00 64.05 61.88 2dai n THR 75 Cb 0.38 -1.80 0.22 0.00 -1.55 0.00 0.00 70.33 67.58 2dai n THR 75 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2dai s PRO 76 N -4.73 -0.43 -0.14 1.09 0.04 -1.26 -4.80 135.00 124.77 2dai s PRO 76 Ca 0.00 -0.30 -0.15 0.00 0.04 0.00 0.00 61.00 60.59 2dai s PRO 76 Cb 0.00 -1.71 -0.13 0.00 0.04 0.00 0.00 34.50 32.70 2dai s PRO 76 CO 0.00 -3.14 0.24 1.25 0.04 0.00 0.00 177.00 175.39 2dai h LEU 77 N -2.17 0.00 -5.55 -3.56 6.46 -1.93 -3.44 115.31 105.12 2dai h LEU 77 Ca -0.44 -0.41 -0.38 0.00 -0.12 0.00 0.00 57.88 56.53 2dai h LEU 77 Cb 1.26 0.00 -0.26 0.00 -0.73 0.00 0.00 40.66 40.92 2dai h LEU 77 CO 0.33 0.91 -0.77 -0.24 -0.62 0.00 0.00 178.44 178.06 2dai n SER 78 N -4.62 -1.62 0.00 1.25 2.88 -1.26 -5.13 113.62 105.12 2dai n SER 78 Ca -0.11 -2.88 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 2dai n SER 78 Cb 0.34 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 2dai n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dai n GLY 79 N 2.00 0.33 3.81 0.46 0.00 -1.26 -4.81 105.19 105.71 2dai n GLY 79 Ca 0.18 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 2dai n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dai s PRO 80 N 0.00 2.29 0.49 1.61 0.04 -1.26 -4.85 135.00 133.32 2dai s PRO 80 Ca 0.00 0.71 -0.21 0.00 0.04 0.00 0.00 61.00 61.54 2dai s PRO 80 Cb 0.00 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 2dai s PRO 80 CO 0.00 -1.49 1.08 -1.12 0.04 0.00 0.00 177.00 175.51 2dai s SER 81 N -3.88 6.16 -0.30 6.66 0.01 -1.26 -5.02 113.70 116.06 2dai s SER 81 Ca 0.60 2.07 -0.13 0.00 1.31 0.00 0.00 55.95 59.79 2dai s SER 81 Cb -0.14 -2.57 0.18 0.00 0.21 0.00 0.00 66.02 63.70 2dai s SER 81 CO 0.54 -0.91 1.10 -0.94 0.41 0.00 0.00 173.24 173.45 2dai s SER 82 N -1.79 -0.26 0.00 2.44 1.04 -1.26 -5.23 113.70 108.63 2dai s SER 82 Ca 0.68 0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.14 2dai s SER 82 Cb -0.21 1.17 0.00 0.00 0.10 0.00 0.00 66.02 67.08 2dai s SER 82 CO 0.25 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.03