#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 -0.16 -0.16 1.61 0.15 -1.26 -5.19 113.70 108.70 2dai s SER 2 Ca 0.00 0.07 -0.35 0.00 0.70 0.00 0.00 55.95 56.38 2dai s SER 2 Cb 0.00 0.15 0.14 0.00 -1.71 0.00 0.00 66.02 64.60 2dai s SER 2 CO 0.00 -0.22 1.31 -0.44 1.20 0.00 0.00 173.24 175.09 2dai s SER 3 N -1.77 -0.06 0.52 5.45 0.01 -1.26 -5.18 113.70 111.41 2dai s SER 3 Ca 0.07 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.31 2dai s SER 3 Cb -0.01 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.34 2dai s SER 3 CO -0.05 -0.16 0.74 -0.83 0.41 0.00 0.00 173.24 173.35 2dai s GLY 4 N -2.46 1.76 -0.03 3.44 0.00 -1.26 -5.12 107.32 103.66 2dai s GLY 4 Ca 0.12 -1.27 -0.06 0.00 0.00 0.00 0.00 44.72 43.51 2dai s GLY 4 CO -0.04 -1.02 0.13 -0.45 0.00 0.00 0.00 173.10 171.72 2dai s SER 5 N -4.37 -0.06 0.41 1.64 0.15 -1.26 -5.16 113.70 105.05 2dai s SER 5 Ca 0.55 0.06 0.03 0.00 0.70 0.00 0.00 55.95 57.29 2dai s SER 5 Cb -0.10 0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2dai s SER 5 CO 0.38 -0.18 0.60 -0.94 1.20 0.00 0.00 173.24 174.30 2dai s SER 6 N -0.55 5.86 0.21 5.45 1.04 -1.26 -5.12 113.70 119.33 2dai s SER 6 Ca -0.06 0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.53 2dai s SER 6 Cb -0.04 -1.41 -0.02 0.00 0.10 0.00 0.00 66.02 64.66 2dai s SER 6 CO 0.01 -0.62 0.18 0.61 0.98 0.00 0.00 173.24 174.39 2dai n GLY 7 N -1.93 3.31 3.50 7.32 0.00 -1.26 -5.11 105.19 111.02 2dai n GLY 7 Ca 0.01 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.50 6.31 -0.30 1.61 -1.08 -1.26 -4.96 116.67 114.50 2dai s ASP 8 Ca 0.25 -0.50 -0.06 0.00 -0.52 0.00 0.00 52.55 51.72 2dai s ASP 8 Cb 0.01 -2.40 0.15 0.00 -1.46 0.00 0.00 42.92 39.23 2dai s ASP 8 CO 0.18 -1.14 0.62 0.00 0.52 0.00 0.00 175.17 175.35 2dai s ALA 9 N 3.61 -2.11 -0.31 3.66 0.00 -1.26 -5.12 121.76 120.22 2dai s ALA 9 Ca 0.26 2.11 0.03 0.00 0.00 0.00 0.00 51.96 54.37 2dai s ALA 9 Cb -0.14 -1.93 0.09 0.00 0.00 0.00 0.00 23.12 21.13 2dai s ALA 9 CO 0.17 -1.10 0.01 0.14 0.00 0.00 0.00 175.76 174.98 2dai s VAL 10 N 2.87 2.09 0.55 0.00 -7.23 -1.26 -5.10 120.40 112.33 2dai s VAL 10 Ca 0.05 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.02 2dai s VAL 10 Cb -0.13 -2.45 -0.15 0.00 0.56 0.00 0.00 36.38 34.21 2dai s VAL 10 CO -0.20 -0.44 -0.21 -1.84 -0.31 0.00 0.00 175.10 172.10 2dai n GLU 11 N 4.37 0.00 -3.63 4.82 0.28 -1.26 -4.98 120.64 120.23 2dai n GLU 11 Ca -0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.91 2dai n GLU 11 Cb 0.42 -0.97 -0.02 0.00 1.43 0.00 0.00 31.44 32.30 2dai n GLU 11 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2dai s LEU 12 N 5.27 -0.33 -0.01 -1.84 1.43 -1.26 -5.17 118.68 116.76 2dai s LEU 12 Ca 0.53 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2dai s LEU 12 Cb -0.44 2.34 -0.00 0.00 0.03 0.00 0.00 46.19 48.11 2dai s LEU 12 CO 0.66 -0.93 -0.07 0.12 0.23 0.00 0.00 176.35 176.36 2dai s PHE 13 N -3.47 0.70 -0.09 0.29 5.36 -1.26 -5.06 117.98 114.45 2dai s PHE 13 Ca 0.08 -0.14 -0.08 0.00 -0.96 0.00 0.00 56.93 55.82 2dai s PHE 13 Cb -0.02 -0.47 -0.03 0.00 -0.34 0.00 0.00 43.02 42.16 2dai s PHE 13 CO -0.03 -0.03 -0.16 1.63 -1.46 0.00 0.00 175.22 175.16 2dai n LYS 14 N 3.03 0.27 0.02 10.12 4.76 -1.26 -5.07 118.16 130.02 2dai n LYS 14 Ca -0.15 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2dai n LYS 14 Cb 0.57 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 2dai n LYS 14 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2dai n LYS 15 N -3.51 0.00 -2.26 1.97 0.00 -1.26 -5.14 118.16 107.96 2dai n LYS 15 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.25 2dai n LYS 15 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.27 2dai n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dai n ALA 16 N -2.52 -2.00 -3.58 3.14 0.00 -1.26 -5.08 120.51 109.21 2dai n ALA 16 Ca 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 53.44 53.88 2dai n ALA 16 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 17.93 2dai n ALA 16 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dai s ASN 17 N -0.58 -0.26 0.28 0.00 3.84 -1.26 -5.13 114.94 111.83 2dai s ASN 17 Ca 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 52.86 52.98 2dai s ASN 17 Cb 0.00 0.34 0.00 0.00 -0.55 0.00 0.00 41.25 41.04 2dai s ASN 17 CO 0.00 -0.58 0.00 0.00 -2.79 0.00 0.00 177.10 173.73 2dai n ALA 18 N -0.28 -2.12 -0.93 1.71 0.00 -1.26 -4.96 120.51 112.67 2dai n ALA 18 Ca -0.06 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 2dai n ALA 18 Cb 0.61 -1.38 0.23 0.00 0.00 0.00 0.00 19.45 18.92 2dai n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dai s MET 19 N -1.60 -1.07 0.00 0.00 0.23 -1.26 -5.08 119.30 110.52 2dai s MET 19 Ca 0.00 0.21 0.00 0.00 -1.03 0.00 0.00 55.69 54.87 2dai s MET 19 Cb 0.00 -1.59 0.00 0.00 -1.53 0.00 0.00 34.83 31.71 2dai s MET 19 CO 0.00 -3.67 0.00 -0.11 -2.03 0.00 0.00 175.02 169.21 2dai n LEU 20 N -4.78 0.00 -3.87 0.18 7.94 -1.26 -5.14 117.00 110.06 2dai n LEU 20 Ca 0.10 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.74 2dai n LEU 20 Cb 0.58 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.36 2dai n LEU 20 CO 0.49 0.00 -0.43 -1.81 -1.11 0.00 0.00 177.39 174.54 2dai s ASP 21 N 1.00 2.09 0.31 1.96 1.01 -1.26 -5.13 116.67 116.66 2dai s ASP 21 Ca 0.00 -0.28 -0.24 0.00 0.71 0.00 0.00 52.55 52.74 2dai s ASP 21 Cb 0.00 -0.75 -0.10 0.00 1.01 0.00 0.00 42.92 43.08 2dai s ASP 21 CO 0.00 -0.14 0.90 -1.61 0.21 0.00 0.00 175.17 174.53 2dai s GLU 22 N 1.77 4.47 -0.28 8.23 8.01 -1.26 -5.00 118.70 134.63 2dai s GLU 22 Ca 0.05 1.20 0.02 0.00 0.01 0.00 0.00 54.97 56.25 2dai s GLU 22 Cb -0.13 -2.74 0.17 0.00 -4.31 0.00 0.00 34.13 27.12 2dai s GLU 22 CO -0.08 0.27 0.46 0.34 0.01 0.00 0.00 175.26 176.26 2dai s ASP 23 N -1.70 -0.23 0.36 -0.19 2.15 -1.26 -5.11 116.67 110.70 2dai s ASP 23 Ca 0.50 -0.08 0.06 0.00 0.43 0.00 0.00 52.55 53.46 2dai s ASP 23 Cb -0.17 1.40 -0.00 0.00 -0.30 0.00 0.00 42.92 43.84 2dai s ASP 23 CO 0.22 -0.33 0.51 -0.70 -0.17 0.00 0.00 175.17 174.70 2dai s GLU 24 N 2.63 3.05 0.31 4.34 2.12 -1.26 -4.46 118.70 125.44 2dai s GLU 24 Ca 0.11 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.44 2dai s GLU 24 Cb -0.12 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.48 2dai s GLU 24 CO -0.27 -0.04 0.00 -0.25 -0.54 0.00 0.00 175.26 174.16 2dai n ASP 25 N -1.73 -6.21 -1.39 -1.70 9.92 -1.26 -5.02 116.55 109.18 2dai n ASP 25 Ca 0.02 0.62 0.16 0.00 -0.53 0.00 0.00 54.79 55.06 2dai n ASP 25 Cb 0.58 -3.28 -0.08 0.00 -0.64 0.00 0.00 41.12 37.70 2dai n ASP 25 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2dai n GLU 26 N -3.63 -3.04 -1.18 -1.24 1.02 -1.26 -4.78 120.64 106.53 2dai n GLU 26 Ca -0.02 2.44 -0.38 0.00 -0.02 0.00 0.00 57.16 59.19 2dai n GLU 26 Cb 0.48 -3.62 0.02 0.00 -0.02 0.00 0.00 31.44 28.30 2dai n GLU 26 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2dai n ARG 27 N -4.23 0.03 -1.39 3.49 0.63 -1.26 -4.91 116.66 109.02 2dai n ARG 27 Ca -0.08 0.01 -0.29 0.00 -0.92 0.00 0.00 57.85 56.58 2dai n ARG 27 Cb 0.65 -1.08 0.13 0.00 0.45 0.00 0.00 32.46 32.61 2dai n ARG 27 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2dai s VAL 28 N -1.99 2.40 0.02 5.15 1.01 -1.26 -5.01 120.40 120.72 2dai s VAL 28 Ca 0.53 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 2dai s VAL 28 Cb -0.39 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 2dai s VAL 28 CO 0.70 -0.17 0.62 -0.62 0.00 0.00 0.00 175.10 175.63 2dai s ASP 29 N -3.75 7.04 0.05 3.32 -1.08 -1.26 -4.97 116.67 116.02 2dai s ASP 29 Ca 0.63 1.24 -0.07 0.00 -0.52 0.00 0.00 52.55 53.83 2dai s ASP 29 Cb -0.16 -2.38 -0.30 0.00 -1.46 0.00 0.00 42.92 38.61 2dai s ASP 29 CO 0.55 0.12 1.06 1.05 0.52 0.00 0.00 175.17 178.47 2dai h GLU 30 N 5.42 0.34 0.23 4.34 4.11 -1.98 -2.70 114.58 124.34 2dai h GLU 30 Ca -0.46 -0.58 0.00 0.00 0.07 0.00 0.00 59.36 58.39 2dai h GLU 30 Cb 1.20 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.64 2dai h GLU 30 CO 0.69 1.27 -0.44 0.00 0.07 0.00 0.00 179.01 180.59 2dai h ALA 31 N 0.45 -0.99 0.74 1.06 0.00 -1.99 0.56 119.26 119.09 2dai h ALA 31 Ca -0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2dai h ALA 31 Cb 2.03 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 20.58 2dai h ALA 31 CO 0.22 -1.07 -0.47 0.00 0.00 0.00 0.00 179.25 177.92 2dai h ALA 32 N -0.84 -1.20 -0.99 0.00 0.00 -1.93 -2.10 119.26 112.20 2dai h ALA 32 Ca -0.02 -0.24 0.29 0.00 0.00 0.00 0.00 54.91 54.94 2dai h ALA 32 Cb 0.68 0.59 -0.18 0.00 0.00 0.00 0.00 17.79 18.88 2dai h ALA 32 CO -0.17 -1.19 0.11 1.25 0.00 0.00 0.00 179.25 179.25 2dai h LEU 33 N -1.15 -0.34 -0.09 0.00 5.85 -1.33 0.82 115.31 119.07 2dai h LEU 33 Ca -0.10 0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2dai h LEU 33 Cb 0.93 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 2dai h LEU 33 CO 0.09 -0.36 -0.23 -0.09 -0.34 0.00 0.00 178.44 177.51 2dai h ARG 34 N 0.01 -0.30 -0.74 1.25 9.65 0.79 0.68 114.38 125.72 2dai h ARG 34 Ca 0.64 0.02 0.16 0.00 -1.10 0.00 0.00 59.98 59.70 2dai h ARG 34 Cb 1.39 0.07 -0.11 0.00 -1.39 0.00 0.00 29.97 29.93 2dai h ARG 34 CO -0.89 -0.20 0.19 1.96 2.80 0.00 0.00 179.97 183.82 2dai h GLN 35 N -0.31 0.27 0.19 0.20 4.20 0.11 1.45 115.11 121.22 2dai h GLN 35 Ca 0.09 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2dai h GLN 35 Cb 0.44 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2dai h GLN 35 CO -0.27 0.18 -0.09 -0.07 -0.67 0.00 0.00 178.83 177.91 2dai h LEU 36 N 0.28 -0.22 -1.51 1.46 3.38 -0.47 -0.73 115.31 117.50 2dai h LEU 36 Ca 0.42 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.53 2dai h LEU 36 Cb 0.72 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2dai h LEU 36 CO -0.51 -0.09 0.70 0.71 0.09 0.00 0.00 178.44 179.34 2dai h THR 37 N -0.39 0.15 0.13 0.22 1.35 0.63 1.47 112.91 116.48 2dai h THR 37 Ca -0.03 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.56 2dai h THR 37 Cb 0.20 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 2dai h THR 37 CO 0.04 0.00 -1.24 -0.33 -0.25 0.00 0.00 175.52 173.74 2dai h GLU 38 N 0.00 0.27 0.47 4.72 4.39 0.21 -3.35 114.58 121.29 2dai h GLU 38 Ca 0.22 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 2dai h GLU 38 Cb 1.61 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 2dai h GLU 38 CO -0.00 1.22 -0.22 0.52 -1.16 0.00 0.00 179.01 179.37 2dai h MET 39 N 0.07 -0.60 0.00 2.33 2.86 0.36 -3.47 114.93 116.48 2dai h MET 39 Ca -0.13 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2dai h MET 39 Cb 1.97 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.77 2dai h MET 39 CO 0.20 -0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.29 2dai n GLY 40 N -0.55 0.00 3.14 8.32 0.00 -0.77 -5.11 105.19 110.22 2dai n GLY 40 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 0.97 0.27 1.61 0.08 -1.22 -5.03 117.98 114.65 2dai s PHE 41 Ca 0.00 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.20 2dai s PHE 41 Cb 0.00 -0.55 -0.09 0.00 -0.57 0.00 0.00 43.02 41.81 2dai s PHE 41 CO 0.00 -0.02 1.08 -1.25 -0.10 0.00 0.00 175.22 174.93 2dai s PRO 42 N -2.11 4.66 0.23 0.24 0.04 -1.26 -4.07 135.00 132.73 2dai s PRO 42 Ca -0.02 1.76 -0.07 0.00 0.04 0.00 0.00 61.00 62.72 2dai s PRO 42 Cb -0.07 -3.21 0.20 0.00 0.04 0.00 0.00 34.50 31.47 2dai s PRO 42 CO 0.01 0.24 1.85 1.49 0.04 0.00 0.00 177.00 180.62 2dai h GLU 43 N 3.94 1.24 -0.02 4.56 4.22 -1.95 0.76 114.58 127.33 2dai h GLU 43 Ca -0.46 -0.15 0.01 0.00 0.08 0.00 0.00 59.36 58.84 2dai h GLU 43 Cb 1.21 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2dai h GLU 43 CO 0.67 0.91 -0.14 -0.97 -2.18 0.00 0.00 179.01 177.30 2dai h ASN 44 N 1.24 -0.43 0.28 1.04 -1.24 -1.99 1.36 115.58 115.84 2dai h ASN 44 Ca 0.31 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.36 2dai h ASN 44 Cb 0.03 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.25 2dai h ASN 44 CO -0.05 -0.13 -0.13 0.03 -1.29 0.00 0.00 177.43 175.86 2dai h ARG 45 N -0.15 -0.36 -0.86 6.67 3.08 -1.93 -2.63 114.38 118.19 2dai h ARG 45 Ca 0.01 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.28 2dai h ARG 45 Cb 0.18 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 30.15 2dai h ARG 45 CO -0.11 -0.07 -0.07 0.00 -1.07 0.00 0.00 179.97 178.65 2dai h ALA 46 N -0.03 0.80 0.16 0.04 0.00 0.64 0.30 119.26 121.17 2dai h ALA 46 Ca -0.04 0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2dai h ALA 46 Cb 0.46 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2dai h ALA 46 CO 0.06 -0.45 -0.33 1.15 0.00 0.00 0.00 179.25 179.69 2dai h THR 47 N 0.04 0.31 0.14 0.00 2.02 0.19 0.18 112.91 115.79 2dai h THR 47 Ca 0.46 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.64 2dai h THR 47 Cb 0.82 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2dai h THR 47 CO -0.82 0.00 -0.23 0.50 0.37 0.00 0.00 175.52 175.34 2dai h LYS 48 N -0.58 -0.37 -0.99 6.66 3.64 -0.21 -1.57 116.57 123.15 2dai h LYS 48 Ca 0.02 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.58 2dai h LYS 48 Cb 0.59 0.08 -0.16 0.00 -0.41 0.00 0.00 32.23 32.33 2dai h LYS 48 CO -0.17 -0.25 -0.38 0.00 -2.27 0.00 0.00 179.45 176.38 2dai n ALA 49 N -2.58 -0.11 -0.08 5.00 0.00 0.59 -0.64 120.51 122.69 2dai n ALA 49 Ca -0.04 0.99 -0.04 0.00 0.00 0.00 0.00 53.44 54.35 2dai n ALA 49 Cb 0.19 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 2dai n ALA 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dai h LEU 50 N 0.00 -0.58 -0.68 0.00 3.38 -0.09 1.37 115.31 118.71 2dai h LEU 50 Ca 0.35 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.51 2dai h LEU 50 Cb 0.60 0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.47 2dai h LEU 50 CO -0.99 -0.09 -0.39 1.56 0.09 0.00 0.00 178.44 178.62 2dai h GLN 51 N -0.06 -0.14 -0.73 1.13 4.20 0.11 1.71 115.11 121.32 2dai h GLN 51 Ca 0.03 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.86 2dai h GLN 51 Cb 0.15 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.88 2dai h GLN 51 CO -0.22 -0.09 0.34 -0.07 -0.67 0.00 0.00 178.83 178.12 2dai h LEU 52 N -0.15 0.40 -3.68 1.46 3.38 0.56 0.20 115.31 117.49 2dai h LEU 52 Ca 0.23 0.08 -0.47 0.00 0.09 0.00 0.00 57.88 57.81 2dai h LEU 52 Cb 0.56 0.02 -0.20 0.00 0.09 0.00 0.00 40.66 41.12 2dai h LEU 52 CO -0.76 0.21 0.61 0.59 0.09 0.00 0.00 178.44 179.18 2dai n ASN 53 N -4.91 6.76 -3.86 -0.43 3.02 0.45 -4.87 115.26 111.41 2dai n ASN 53 Ca 0.12 -3.36 -0.32 0.00 -0.03 0.00 0.00 54.58 50.99 2dai n ASN 53 Cb 0.33 -1.00 0.01 0.00 -0.61 0.00 0.00 39.78 38.50 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 -0.23 -1.58 -3.93 3.10 8.25 0.70 -0.69 115.22 120.83 2dai n HIS 54 Ca 0.44 0.44 -0.34 0.00 -0.26 0.00 0.00 57.72 58.00 2dai n HIS 54 Cb 0.67 -2.52 0.01 0.00 1.12 0.00 0.00 29.99 29.27 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 -3.49 -0.51 -3.79 -0.41 2.81 0.53 -4.41 117.12 107.84 2dai n MET 55 Ca -0.21 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.32 2dai n MET 55 Cb 0.58 -1.61 -0.07 0.00 -0.71 0.00 0.00 33.22 31.41 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 -3.72 6.33 -0.04 7.83 0.01 0.13 -4.90 113.70 119.33 2dai s SER 56 Ca 0.32 0.38 -0.24 0.00 1.31 0.00 0.00 55.95 57.73 2dai s SER 56 Cb -0.18 -2.09 -0.24 0.00 0.21 0.00 0.00 66.02 63.72 2dai s SER 56 CO 0.73 0.30 1.02 0.58 0.41 0.00 0.00 173.24 176.28 2dai h VAL 57 N 4.29 1.53 0.16 3.43 2.07 -1.89 -2.81 116.25 123.03 2dai h VAL 57 Ca -0.48 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 2dai h VAL 57 Cb 1.19 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 2dai h VAL 57 CO 0.66 0.56 -0.08 1.55 0.02 0.00 0.00 177.57 180.29 2dai h PRO 58 N -0.44 -0.21 -0.79 1.57 0.13 -1.97 -3.32 132.00 126.96 2dai h PRO 58 Ca -0.04 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.22 2dai h PRO 58 Cb 1.10 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 2dai h PRO 58 CO 0.07 -0.14 -0.40 1.96 -0.23 0.00 0.00 178.00 179.25 2dai h GLN 59 N -0.69 -0.09 -1.86 0.86 4.20 -1.93 1.45 115.11 117.05 2dai h GLN 59 Ca -0.02 0.01 0.55 0.00 0.06 0.00 0.00 58.65 59.24 2dai h GLN 59 Cb 0.17 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.88 2dai h GLN 59 CO 0.04 -0.06 1.33 0.00 -0.67 0.00 0.00 178.83 179.46 2dai n ALA 60 N -3.29 1.79 0.13 3.87 0.00 -1.06 0.05 120.51 121.99 2dai n ALA 60 Ca 0.06 0.65 -0.05 0.00 0.00 0.00 0.00 53.44 54.10 2dai n ALA 60 Cb 0.36 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2dai n ALA 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2dai h MET 61 N 0.00 -0.34 -0.67 0.00 -1.53 0.19 -1.27 114.93 111.31 2dai h MET 61 Ca 0.90 0.02 0.14 0.00 -3.44 0.00 0.00 59.70 57.33 2dai h MET 61 Cb 3.57 0.08 -0.10 0.00 -0.55 0.00 0.00 31.60 34.60 2dai h MET 61 CO -0.05 -0.23 0.11 1.05 0.14 0.00 0.00 176.91 177.93 2dai h GLU 62 N -0.63 0.21 -0.55 0.39 4.11 -0.27 0.50 114.58 118.34 2dai h GLU 62 Ca -0.04 -0.01 0.05 0.00 0.07 0.00 0.00 59.36 59.44 2dai h GLU 62 Cb 0.27 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2dai h GLU 62 CO 0.06 0.14 0.27 2.35 0.07 0.00 0.00 179.01 181.90 2dai h TRP 63 N 0.22 0.50 0.00 2.06 7.01 -0.88 1.02 115.95 125.88 2dai h TRP 63 Ca 0.36 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.36 2dai h TRP 63 Cb 0.59 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 2dai h TRP 63 CO -0.29 0.23 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.41 2dai h LEU 64 N 0.52 0.00 0.10 0.65 3.38 0.77 0.89 115.31 121.62 2dai h LEU 64 Ca 0.25 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.94 2dai h LEU 64 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2dai h LEU 64 CO -0.18 0.11 -1.35 0.40 0.09 0.00 0.00 178.44 177.51 2dai h ILE 65 N 0.00 1.36 0.00 1.22 2.04 0.39 -1.68 117.51 120.83 2dai h ILE 65 Ca -0.00 -2.99 0.00 0.00 1.00 0.00 0.00 64.86 62.87 2dai h ILE 65 Cb 0.34 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2dai h ILE 65 CO 0.01 0.85 -0.02 -0.08 0.00 0.00 0.00 178.15 178.92 2dai h GLU 66 N 0.06 0.00 0.00 2.37 4.22 0.18 -3.30 114.58 118.11 2dai h GLU 66 Ca -0.17 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.27 2dai h GLU 66 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 2dai h GLU 66 CO 0.17 0.00 0.00 0.72 -2.18 0.00 0.00 179.01 177.72 2dai n HIS 67 N -4.39 0.07 -0.68 0.92 8.25 0.30 -3.05 115.22 116.65 2dai n HIS 67 Ca -0.00 0.03 0.51 0.00 -0.26 0.00 0.00 57.72 58.00 2dai n HIS 67 Cb 0.01 -0.55 0.80 0.00 1.12 0.00 0.00 29.99 31.37 2dai n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dai n ALA 68 N -1.52 1.82 -2.48 -1.41 0.00 -0.63 0.18 120.51 116.46 2dai n ALA 68 Ca 0.02 0.68 -0.19 0.00 0.00 0.00 0.00 53.44 53.95 2dai n ALA 68 Cb 0.12 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.46 2dai n ALA 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dai n GLU 69 N -4.03 2.71 -3.52 0.00 1.02 -1.17 -5.06 120.64 110.60 2dai n GLU 69 Ca 0.44 -4.03 -0.34 0.00 -0.02 0.00 0.00 57.16 53.21 2dai n GLU 69 Cb 1.95 -1.93 -0.05 0.00 -0.02 0.00 0.00 31.44 31.38 2dai n GLU 69 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dai s ASP 70 N -3.47 6.64 0.03 1.62 1.11 0.47 -5.01 116.67 118.06 2dai s ASP 70 Ca 0.41 0.83 -0.18 0.00 0.18 0.00 0.00 52.55 53.79 2dai s ASP 70 Cb 0.41 -2.19 -0.21 0.00 1.07 0.00 0.00 42.92 42.00 2dai s ASP 70 CO -0.08 0.08 1.16 1.55 1.18 0.00 0.00 175.17 179.07 2dai h PRO 71 N 3.25 0.51 -2.75 8.23 0.13 -1.98 -3.37 132.00 136.02 2dai h PRO 71 Ca -0.48 -0.50 -0.64 0.00 -0.87 0.00 0.00 66.00 63.52 2dai h PRO 71 Cb 1.18 0.13 -0.40 0.00 0.13 0.00 0.00 31.00 32.04 2dai h PRO 71 CO 0.68 1.13 -0.42 -2.37 -0.23 0.00 0.00 178.00 176.79 2dai n THR 72 N -4.15 2.37 -0.04 1.56 5.66 -1.26 -4.76 114.28 113.66 2dai n THR 72 Ca -0.10 -5.12 0.00 0.00 -3.05 0.00 0.00 64.05 55.79 2dai n THR 72 Cb 0.69 -2.18 -0.13 0.00 -1.55 0.00 0.00 70.33 67.16 2dai n THR 72 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dai n ILE 73 N 1.52 0.57 -3.47 1.09 3.06 -1.26 -4.82 119.36 116.04 2dai n ILE 73 Ca 0.25 -0.54 -0.26 0.00 -2.50 0.00 0.00 62.75 59.69 2dai n ILE 73 Cb 0.38 -0.24 -0.12 0.00 0.54 0.00 0.00 39.64 40.19 2dai n ILE 73 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2dai s ASP 74 N -4.51 2.75 0.51 9.51 2.15 -1.26 -4.98 116.67 120.84 2dai s ASP 74 Ca -0.07 -1.61 -0.21 0.00 0.43 0.00 0.00 52.55 51.09 2dai s ASP 74 Cb 0.08 -0.13 -0.08 0.00 -0.30 0.00 0.00 42.92 42.48 2dai s ASP 74 CO 0.69 -0.36 0.87 0.41 -0.17 0.00 0.00 175.17 176.61 2dai n THR 75 N 4.65 2.79 -2.40 1.71 -1.04 -1.26 -4.88 114.28 113.85 2dai n THR 75 Ca 0.04 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 2dai n THR 75 Cb 0.41 -1.02 -0.02 0.00 -1.82 0.00 0.00 70.33 67.87 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 -2.25 4.15 -0.41 -2.82 0.04 -1.26 -4.90 135.00 127.54 2dai s PRO 76 Ca 0.69 1.59 0.09 0.00 0.04 0.00 0.00 61.00 63.41 2dai s PRO 76 Cb -0.49 -3.80 0.33 0.00 0.04 0.00 0.00 34.50 30.57 2dai s PRO 76 CO 0.53 -0.81 0.88 1.28 0.04 0.00 0.00 177.00 178.92 2dai n LEU 77 N 6.89 -0.69 -3.72 -3.56 4.77 -1.26 -5.09 117.00 114.34 2dai n LEU 77 Ca 0.14 -4.38 -0.14 0.00 -0.03 0.00 0.00 56.01 51.61 2dai n LEU 77 Cb 0.45 0.81 -0.08 0.00 -2.33 0.00 0.00 43.42 42.27 2dai n LEU 77 CO 0.58 2.18 0.10 -0.55 -1.33 0.00 0.00 177.39 178.36 2dai s SER 78 N -1.85 -0.27 0.28 -1.43 0.15 -1.26 -5.13 113.70 104.19 2dai s SER 78 Ca 0.32 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2dai s SER 78 Cb 0.31 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2dai s SER 78 CO -0.08 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2dai n GLY 79 N 1.16 0.46 3.77 9.45 0.00 -1.26 -4.73 105.19 114.04 2dai n GLY 79 Ca -0.21 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 0.31 -0.44 1.61 0.04 -1.26 -4.86 135.00 130.39 2dai s PRO 80 Ca 0.00 -0.02 -0.32 0.00 0.04 0.00 0.00 61.00 60.69 2dai s PRO 80 Cb 0.00 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.66 2dai s PRO 80 CO 0.00 -2.70 2.30 0.45 0.04 0.00 0.00 177.00 177.09 2dai n SER 81 N -4.05 2.04 -3.56 6.66 2.88 -1.26 -4.85 113.62 111.47 2dai n SER 81 Ca 0.11 0.19 -0.12 0.00 -1.33 0.00 0.00 58.87 57.72 2dai n SER 81 Cb 0.59 -1.31 -0.05 0.00 -0.75 0.00 0.00 64.21 62.69 2dai n SER 81 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dai s SER 82 N 8.56 -0.42 0.00 -3.46 0.15 -1.26 -5.21 113.70 112.05 2dai s SER 82 Ca 1.10 0.43 0.00 0.00 0.70 0.00 0.00 55.95 58.17 2dai s SER 82 Cb -0.73 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2dai s SER 82 CO 0.43 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.07