#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4m s SER 2 N 0.00 -0.04 -0.18 1.61 1.04 -1.26 -5.09 113.70 109.79 1x4m s SER 2 Ca 0.00 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.30 1x4m s SER 2 Cb 0.00 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.58 1x4m s SER 2 CO 0.00 -1.07 -0.24 -1.20 0.98 0.00 0.00 173.24 171.70 1x4m n SER 3 N -0.36 1.38 -4.73 7.02 7.64 -1.26 -5.03 113.62 118.28 1x4m n SER 3 Ca -0.01 0.24 -0.29 0.00 1.01 0.00 0.00 58.87 59.82 1x4m n SER 3 Cb 0.63 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 1x4m n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4m s GLY 4 N -5.25 1.91 -0.11 0.23 0.00 -1.26 -5.03 107.32 97.81 1x4m s GLY 4 Ca -0.26 -1.12 -0.02 0.00 0.00 0.00 0.00 44.72 43.32 1x4m s GLY 4 CO 0.33 -1.10 -0.12 1.44 0.00 0.00 0.00 173.10 173.65 1x4m n SER 5 N 0.34 1.96 -4.56 1.64 7.64 -1.26 -4.93 113.62 114.45 1x4m n SER 5 Ca -0.10 0.04 -0.39 0.00 1.01 0.00 0.00 58.87 59.44 1x4m n SER 5 Cb 0.52 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 1x4m n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4m s SER 6 N -5.52 5.32 -0.93 6.43 0.15 -1.26 -4.91 113.70 112.98 1x4m s SER 6 Ca -0.15 0.61 -0.02 0.00 0.70 0.00 0.00 55.95 57.09 1x4m s SER 6 Cb 0.05 -2.53 0.23 0.00 -1.71 0.00 0.00 66.02 62.06 1x4m s SER 6 CO 0.22 -2.29 0.85 0.61 1.20 0.00 0.00 173.24 173.82 1x4m n GLY 7 N 5.67 4.17 3.53 9.45 0.00 -1.26 -4.98 105.19 121.77 1x4m n GLY 7 Ca 0.22 -2.60 -0.05 0.00 0.00 0.00 0.00 46.02 43.59 1x4m n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x4m s HIS 8 N -1.44 -1.08 -0.04 1.61 0.00 -1.26 -5.15 115.29 107.93 1x4m s HIS 8 Ca 0.29 2.01 -0.02 0.00 -3.00 0.00 0.00 55.06 54.34 1x4m s HIS 8 Cb -0.07 0.61 0.03 0.00 -4.00 0.00 0.00 32.58 29.15 1x4m s HIS 8 CO -0.11 -0.56 0.05 0.20 -1.00 0.00 0.00 174.74 173.31 1x4m s GLY 9 N 2.32 0.22 0.01 -1.38 0.00 -1.26 -5.14 107.32 102.09 1x4m s GLY 9 Ca -0.07 0.17 -0.09 0.00 0.00 0.00 0.00 44.72 44.74 1x4m s GLY 9 CO -0.17 1.22 0.17 0.99 0.00 0.00 0.00 173.10 175.31 1x4m s ASP 10 N 1.93 0.00 -0.41 1.64 1.01 -1.26 -5.12 116.67 114.46 1x4m s ASP 10 Ca 0.02 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.08 1x4m s ASP 10 Cb -0.12 0.23 0.20 0.00 1.01 0.00 0.00 42.92 44.24 1x4m s ASP 10 CO -0.03 -0.42 0.88 -0.83 0.21 0.00 0.00 175.17 174.98 1x4m s GLY 11 N -1.52 -1.52 0.79 0.21 0.00 -1.26 -5.16 107.32 98.87 1x4m s GLY 11 Ca -0.13 0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 1x4m s GLY 11 CO 0.01 3.98 1.09 2.56 0.00 0.00 0.00 173.10 180.74 1x4m s PRO 12 N 1.27 2.08 0.00 2.90 0.04 -1.26 -4.95 135.00 135.09 1x4m s PRO 12 Ca 0.23 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1x4m s PRO 12 Cb 0.04 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1x4m s PRO 12 CO -0.09 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.61 1x4m n GLY 13 N -1.20 2.38 3.74 0.56 0.00 -1.26 -5.01 105.19 104.40 1x4m n GLY 13 Ca 0.09 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1x4m n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4m s ASN 14 N 0.00 7.39 0.33 1.61 -0.87 -1.26 -4.88 114.94 117.26 1x4m s ASN 14 Ca 0.00 1.66 -0.17 0.00 -1.57 0.00 0.00 52.86 52.78 1x4m s ASN 14 Cb 0.00 -2.54 -0.09 0.00 -0.02 0.00 0.00 41.25 38.60 1x4m s ASN 14 CO 0.00 -0.02 0.78 0.00 -2.57 0.00 0.00 177.10 175.29 1x4m s ALA 15 N -0.08 3.28 -0.04 0.60 0.00 0.20 -4.82 121.76 120.89 1x4m s ALA 15 Ca 0.43 0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 1x4m s ALA 15 Cb -0.22 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.06 1x4m s ALA 15 CO 0.27 0.29 0.14 0.54 0.00 0.00 0.00 175.76 177.00 1x4m s VAL 16 N -1.97 0.03 -0.04 0.00 0.11 -1.26 0.16 120.40 117.43 1x4m s VAL 16 Ca 0.54 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 59.34 1x4m s VAL 16 Cb -0.11 -0.28 0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1x4m s VAL 16 CO 0.17 -0.13 0.07 -1.10 -3.33 0.00 0.00 175.10 170.78 1x4m s GLN 17 N -0.41 -0.00 -0.09 1.54 -0.21 0.02 -4.96 119.66 115.54 1x4m s GLN 17 Ca -0.05 0.29 -0.04 0.00 0.02 0.00 0.00 55.36 55.57 1x4m s GLN 17 Cb -0.03 -0.26 -0.04 0.00 1.00 0.00 0.00 33.01 33.68 1x4m s GLN 17 CO 0.01 -0.20 0.08 -1.21 -2.12 0.00 0.00 175.29 171.85 1x4m s GLU 18 N 1.31 3.22 0.19 2.91 2.02 -1.26 -0.57 118.70 126.53 1x4m s GLU 18 Ca -0.07 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.65 1x4m s GLU 18 Cb -0.12 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 1x4m s GLU 18 CO -0.04 0.73 0.07 0.96 0.02 0.00 0.00 175.26 177.00 1x4m s ILE 19 N -1.00 0.34 -0.21 -1.63 -0.00 -0.16 -4.94 121.20 113.61 1x4m s ILE 19 Ca 0.16 -1.97 -0.15 0.00 -0.00 0.00 0.00 60.65 58.69 1x4m s ILE 19 Cb -0.12 -2.32 -0.04 0.00 -0.00 0.00 0.00 42.46 39.98 1x4m s ILE 19 CO 0.05 -0.24 0.34 -0.04 -0.00 0.00 0.00 174.94 175.05 1x4m s MET 20 N -4.04 4.14 -0.13 0.37 -1.94 -1.26 0.14 119.30 116.59 1x4m s MET 20 Ca 0.31 0.08 0.00 0.00 -1.71 0.00 0.00 55.69 54.38 1x4m s MET 20 Cb 0.07 -3.54 0.02 0.00 2.01 0.00 0.00 34.83 33.39 1x4m s MET 20 CO 0.08 -0.02 -0.11 0.42 -0.01 0.00 0.00 175.02 175.37 1x4m s ILE 21 N 1.27 1.32 -0.06 2.53 -1.09 0.29 -4.93 121.20 120.54 1x4m s ILE 21 Ca 0.16 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 57.81 1x4m s ILE 21 Cb -0.14 -1.28 -0.05 0.00 -1.58 0.00 0.00 42.46 39.41 1x4m s ILE 21 CO 0.07 0.42 1.50 -2.16 -1.23 0.00 0.00 174.94 173.54 1x4m s PRO 22 N 1.57 4.22 0.53 2.79 0.04 -1.26 0.45 135.00 143.34 1x4m s PRO 22 Ca 0.05 2.02 0.47 0.00 0.04 0.00 0.00 61.00 63.58 1x4m s PRO 22 Cb -0.13 -3.81 1.67 0.00 0.04 0.00 0.00 34.50 32.27 1x4m s PRO 22 CO -0.09 -0.74 1.53 0.00 0.04 0.00 0.00 177.00 177.73 1x4m n ALA 23 N 6.51 1.80 -0.07 8.56 0.00 -1.26 0.13 120.51 136.18 1x4m n ALA 23 Ca 0.15 0.67 -0.11 0.00 0.00 0.00 0.00 53.44 54.16 1x4m n ALA 23 Cb 0.43 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 1x4m n ALA 23 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1x4m h SER 24 N 0.00 0.33 0.12 0.00 4.64 -1.98 -2.75 113.55 113.91 1x4m h SER 24 Ca 0.92 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 1x4m h SER 24 Cb 3.59 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 65.60 1x4m h SER 24 CO -0.07 0.45 -0.12 0.29 -0.87 0.00 0.00 176.83 176.51 1x4m n LYS 25 N -4.77 1.21 0.27 4.77 4.76 0.36 -4.27 118.16 120.50 1x4m n LYS 25 Ca -0.04 -0.68 -0.11 0.00 -2.87 0.00 0.00 58.31 54.61 1x4m n LYS 25 Cb 0.16 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.81 1x4m n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4m h ALA 26 N 4.00 -0.85 -0.18 7.82 0.00 -0.37 -2.89 119.26 126.79 1x4m h ALA 26 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1x4m h ALA 26 Cb 0.48 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1x4m h ALA 26 CO 0.00 -0.80 0.41 0.78 0.00 0.00 0.00 179.25 179.64 1x4m h GLY 27 N -1.00 0.00 1.35 0.00 0.00 -1.74 0.33 103.07 102.01 1x4m h GLY 27 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.04 1x4m h GLY 27 CO 0.12 0.00 -0.79 1.41 0.00 0.00 0.00 176.54 177.28 1x4m h LEU 28 N 0.00 0.76 0.00 3.11 4.07 -1.74 0.32 115.31 121.83 1x4m h LEU 28 Ca 0.08 -0.51 -0.10 0.00 0.08 0.00 0.00 57.88 57.43 1x4m h LEU 28 Cb 0.90 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 1x4m h LEU 28 CO -0.00 1.29 -1.21 1.62 -1.08 0.00 0.00 178.44 179.06 1x4m h VAL 29 N 0.42 0.31 0.02 1.22 3.04 -0.49 -3.38 116.25 117.38 1x4m h VAL 29 Ca -0.05 -1.61 -0.22 0.00 -1.01 0.00 0.00 66.70 63.81 1x4m h VAL 29 Cb 1.41 1.84 -0.03 0.00 -2.01 0.00 0.00 31.29 32.50 1x4m h VAL 29 CO 0.15 0.18 -1.17 0.40 -1.01 0.00 0.00 177.57 176.12 1x4m h ILE 30 N 0.00 1.01 0.00 3.17 2.04 -0.54 0.23 117.51 123.42 1x4m h ILE 30 Ca -0.09 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1x4m h ILE 30 Cb 1.35 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 1x4m h ILE 30 CO 0.03 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.21 1x4m n GLY 31 N 1.52 -1.87 0.34 5.37 0.00 0.11 -0.69 105.19 109.98 1x4m n GLY 31 Ca -0.29 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 43.73 1x4m n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4m h LYS 32 N 0.00 1.20 -0.06 1.61 6.56 -1.98 -3.38 116.57 120.52 1x4m h LYS 32 Ca 0.00 -0.14 -0.18 0.00 -1.06 0.00 0.00 60.65 59.26 1x4m h LYS 32 Cb 0.00 -0.23 -0.18 0.00 -0.57 0.00 0.00 32.23 31.24 1x4m h LYS 32 CO 0.00 0.88 -0.39 0.41 -2.06 0.00 0.00 179.45 178.29 1x4m n GLY 33 N -1.10 1.99 0.98 3.86 0.00 -1.26 -4.99 105.19 104.66 1x4m n GLY 33 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1x4m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4m n GLY 34 N -1.38 0.67 0.09 -0.02 0.00 -0.88 -5.03 105.19 98.65 1x4m n GLY 34 Ca -0.14 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 1x4m n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4m n GLU 35 N -0.64 0.52 0.40 1.61 1.02 0.13 -3.92 120.64 119.75 1x4m n GLU 35 Ca 0.00 0.47 -0.16 0.00 -0.02 0.00 0.00 57.16 57.46 1x4m n GLU 35 Cb 0.41 -1.66 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1x4m h THR 36 N -1.00 0.00 -1.08 2.62 2.02 -1.74 -2.63 112.91 111.10 1x4m h THR 36 Ca -0.22 -0.05 0.31 0.00 0.77 0.00 0.00 66.41 67.22 1x4m h THR 36 Cb 1.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1x4m h THR 36 CO -0.13 0.00 0.88 -0.29 0.37 0.00 0.00 175.52 176.35 1x4m h ILE 37 N -1.07 0.30 -0.62 3.11 2.10 -0.64 0.63 117.51 121.32 1x4m h ILE 37 Ca -0.10 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.79 1x4m h ILE 37 Cb 0.78 0.36 -0.03 0.00 -1.09 0.00 0.00 36.82 36.84 1x4m h ILE 37 CO 0.17 0.00 0.19 0.50 -1.08 0.00 0.00 178.15 177.93 1x4m h LYS 38 N 0.00 0.95 0.00 2.19 3.64 -1.59 -2.42 116.57 119.34 1x4m h LYS 38 Ca 0.51 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1x4m h LYS 38 Cb 2.26 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.92 1x4m h LYS 38 CO -0.01 0.82 -0.59 1.96 -2.27 0.00 0.00 179.45 179.37 1x4m h GLN 39 N 0.92 0.00 0.00 1.90 4.20 0.34 -2.94 115.11 119.52 1x4m h GLN 39 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1x4m h GLN 39 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1x4m h GLN 39 CO -0.01 0.59 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 1x4m n LEU 40 N -3.53 0.02 0.08 1.46 4.77 -0.92 -2.10 117.00 116.78 1x4m n LEU 40 Ca -0.00 0.51 -0.11 0.00 -0.03 0.00 0.00 56.01 56.38 1x4m n LEU 40 Cb 0.66 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 1x4m n LEU 40 CO 0.41 -0.31 0.08 1.56 -1.33 0.00 0.00 177.39 177.80 1x4m h GLN 41 N 0.00 0.15 0.09 3.23 4.20 -1.47 -3.25 115.11 118.06 1x4m h GLN 41 Ca 0.00 -0.23 -0.32 0.00 0.06 0.00 0.00 58.65 58.16 1x4m h GLN 41 Cb 0.20 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1x4m h GLN 41 CO 0.00 1.08 -1.72 1.05 -0.67 0.00 0.00 178.83 178.57 1x4m h GLU 42 N 0.05 0.19 -0.89 1.46 4.11 -1.59 0.23 114.58 118.14 1x4m h GLU 42 Ca -0.07 -0.32 0.12 0.00 0.07 0.00 0.00 59.36 59.16 1x4m h GLU 42 Cb 1.80 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 31.10 1x4m h GLU 42 CO 0.16 0.98 0.57 0.00 0.07 0.00 0.00 179.01 180.80 1x4m h ARG 43 N 0.05 0.77 0.00 1.06 3.08 -1.57 -2.59 114.38 115.18 1x4m h ARG 43 Ca -0.31 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1x4m h ARG 43 Cb 2.02 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.90 1x4m h ARG 43 CO 0.12 0.51 -1.12 0.00 -1.07 0.00 0.00 179.97 178.41 1x4m n ALA 44 N -2.41 2.97 -1.96 0.04 0.00 -1.23 -5.01 120.51 112.91 1x4m n ALA 44 Ca 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 1x4m n ALA 44 Cb 0.38 -0.43 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 1x4m n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4m n GLY 45 N 1.56 0.29 3.44 0.00 0.00 0.16 -4.84 105.19 105.81 1x4m n GLY 45 Ca -0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1x4m n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x4m s VAL 46 N -2.12 1.15 -0.22 1.61 -7.23 0.59 -4.73 120.40 109.44 1x4m s VAL 46 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1x4m s VAL 46 Cb 0.00 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 1x4m s VAL 46 CO 0.00 -0.00 0.12 -0.75 -0.31 0.00 0.00 175.10 174.16 1x4m s LYS 47 N -3.90 4.05 -0.33 4.82 2.20 0.13 -4.22 119.74 122.48 1x4m s LYS 47 Ca 0.37 -0.29 -0.07 0.00 -0.36 0.00 0.00 55.97 55.61 1x4m s LYS 47 Cb 0.09 -3.42 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1x4m s LYS 47 CO 0.15 0.15 0.12 -1.64 -0.36 0.00 0.00 175.35 173.78 1x4m s MET 48 N 0.76 2.79 -0.24 4.03 -1.94 -1.26 -0.28 119.30 123.16 1x4m s MET 48 Ca 0.06 -1.07 0.00 0.00 -1.71 0.00 0.00 55.69 52.98 1x4m s MET 48 Cb -0.13 -3.49 0.06 0.00 2.01 0.00 0.00 34.83 33.29 1x4m s MET 48 CO 0.02 -0.61 -0.03 0.08 -0.01 0.00 0.00 175.02 174.47 1x4m s VAL 49 N 1.46 1.42 0.12 -6.03 1.01 0.19 -4.99 120.40 113.58 1x4m s VAL 49 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1x4m s VAL 49 Cb -0.19 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 1x4m s VAL 49 CO 0.03 -0.16 1.02 -0.04 0.00 0.00 0.00 175.10 175.95 1x4m s MET 50 N 1.43 4.64 -0.06 2.72 -1.94 -1.26 -1.26 119.30 123.57 1x4m s MET 50 Ca -0.04 1.55 -0.11 0.00 -1.71 0.00 0.00 55.69 55.38 1x4m s MET 50 Cb -0.19 -3.35 -0.05 0.00 2.01 0.00 0.00 34.83 33.25 1x4m s MET 50 CO -0.07 0.12 0.27 0.42 -0.01 0.00 0.00 175.02 175.74 1x4m s ILE 51 N 0.08 5.28 -0.04 2.53 -1.09 -0.26 -4.89 121.20 122.81 1x4m s ILE 51 Ca 0.49 0.50 -0.14 0.00 -2.23 0.00 0.00 60.65 59.27 1x4m s ILE 51 Cb -0.25 -3.55 -0.08 0.00 -1.58 0.00 0.00 42.46 37.00 1x4m s ILE 51 CO 0.31 0.60 0.61 1.56 -1.23 0.00 0.00 174.94 176.79 1x4m h GLN 52 N 4.84 -0.50 -4.74 2.79 7.50 -1.96 -3.34 115.11 119.70 1x4m h GLN 52 Ca -0.53 0.03 -0.52 0.00 0.50 0.00 0.00 58.65 58.13 1x4m h GLN 52 Cb 1.23 0.11 -0.07 0.00 0.05 0.00 0.00 27.48 28.80 1x4m h GLN 52 CO 0.60 -0.33 1.46 -3.47 -1.50 0.00 0.00 178.83 175.59 1x4m n ASP 53 N -5.03 0.38 -4.41 1.46 2.03 -1.26 -4.78 116.55 104.94 1x4m n ASP 53 Ca -0.06 0.29 -0.22 0.00 0.52 0.00 0.00 54.79 55.32 1x4m n ASP 53 Cb 0.20 -0.82 -0.10 0.00 -0.72 0.00 0.00 41.12 39.68 1x4m n ASP 53 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1x4m s GLY 54 N 7.30 1.67 0.28 0.27 0.00 -1.26 -4.58 107.32 111.00 1x4m s GLY 54 Ca 1.18 -1.75 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 1x4m s GLY 54 CO 0.48 -1.84 1.25 2.56 0.00 0.00 0.00 173.10 175.55 1x4m s PRO 55 N -3.45 4.44 -0.02 2.90 0.04 -1.26 -4.94 135.00 132.72 1x4m s PRO 55 Ca 0.26 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.38 1x4m s PRO 55 Cb -0.04 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1x4m s PRO 55 CO 0.11 -0.10 0.03 1.04 0.04 0.00 0.00 177.00 178.13 1x4m n GLN 56 N 1.43 2.10 -0.32 4.56 3.00 -1.26 -4.14 117.38 122.75 1x4m n GLN 56 Ca 0.01 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1x4m n GLN 56 Cb 0.43 -1.07 0.02 0.00 0.00 0.00 0.00 30.24 29.62 1x4m n GLN 56 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1x4m h ASN 57 N 0.00 -1.38 -3.25 1.08 -0.00 -2.04 -3.37 115.58 106.62 1x4m h ASN 57 Ca -0.04 0.28 -0.67 0.00 -0.00 0.00 0.00 56.30 55.87 1x4m h ASN 57 Cb 0.73 0.70 -0.33 0.00 -0.00 0.00 0.00 38.32 39.43 1x4m h ASN 57 CO 0.00 -0.29 -0.85 0.28 -0.00 0.00 0.00 177.43 176.56 1x4m s THR 58 N -5.94 2.23 0.00 -3.57 -1.32 -1.26 -5.05 115.64 100.72 1x4m s THR 58 Ca -0.14 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.41 1x4m s THR 58 Cb 0.18 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 69.28 1x4m s THR 58 CO 0.70 0.54 0.00 0.61 -2.21 0.00 0.00 174.62 174.26 1x4m n GLY 59 N 3.95 2.49 3.48 6.08 0.00 -1.26 -4.78 105.19 115.15 1x4m n GLY 59 Ca -0.20 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 1x4m n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4m s ALA 60 N -1.18 -1.71 -0.04 4.61 0.00 -1.26 -4.62 121.76 117.56 1x4m s ALA 60 Ca 0.00 1.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 1x4m s ALA 60 Cb 0.00 0.33 0.12 0.00 0.00 0.00 0.00 23.12 23.57 1x4m s ALA 60 CO 0.00 -0.52 1.21 -0.51 0.00 0.00 0.00 175.76 175.94 1x4m s ASP 61 N -1.79 -0.11 -0.18 0.00 1.01 -1.26 -4.81 116.67 109.53 1x4m s ASP 61 Ca -0.06 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.08 1x4m s ASP 61 Cb -0.00 0.20 0.04 0.00 1.01 0.00 0.00 42.92 44.17 1x4m s ASP 61 CO 0.01 -0.37 -0.09 -0.54 0.21 0.00 0.00 175.17 174.40 1x4m s LYS 62 N -2.56 1.83 -0.23 8.23 -0.14 0.17 -4.20 119.74 122.84 1x4m s LYS 62 Ca 0.12 -0.69 -0.29 0.00 -1.36 0.00 0.00 55.97 53.75 1x4m s LYS 62 Cb 0.02 -2.23 -0.02 0.00 -1.68 0.00 0.00 37.83 33.92 1x4m s LYS 62 CO -0.04 -0.41 1.62 -1.25 -0.76 0.00 0.00 175.35 174.51 1x4m s PRO 63 N 1.49 3.76 -0.28 -1.68 0.04 -1.26 -0.54 135.00 136.53 1x4m s PRO 63 Ca 0.00 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.50 1x4m s PRO 63 Cb -0.16 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 1x4m s PRO 63 CO -0.08 -1.34 0.42 -1.17 0.04 0.00 0.00 177.00 174.87 1x4m s LEU 64 N 5.32 4.10 -0.27 -3.56 2.96 0.12 -1.11 118.68 126.24 1x4m s LEU 64 Ca 0.71 0.27 -0.14 0.00 -0.22 0.00 0.00 54.13 54.76 1x4m s LEU 64 Cb -0.24 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1x4m s LEU 64 CO 0.29 -0.25 0.33 -0.60 -1.32 0.00 0.00 176.35 174.81 1x4m s ARG 65 N 2.15 4.00 -0.35 1.98 3.52 -0.39 -0.98 118.95 128.87 1x4m s ARG 65 Ca 0.16 -0.05 -0.05 0.00 -0.13 0.00 0.00 55.73 55.66 1x4m s ARG 65 Cb -0.16 -3.66 0.06 0.00 -1.56 0.00 0.00 34.95 29.63 1x4m s ARG 65 CO 0.10 -0.26 0.11 0.42 -0.81 0.00 0.00 175.30 174.87 1x4m s ILE 66 N 1.99 3.59 0.27 4.11 1.01 0.26 -0.64 121.20 131.80 1x4m s ILE 66 Ca 0.13 -1.35 0.04 0.00 0.00 0.00 0.00 60.65 59.47 1x4m s ILE 66 Cb -0.16 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 1x4m s ILE 66 CO 0.10 -0.27 0.41 0.42 0.00 0.00 0.00 174.94 175.59 1x4m s THR 67 N 1.34 5.20 0.00 2.92 -4.23 0.61 -0.80 115.64 120.68 1x4m s THR 67 Ca -0.01 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1x4m s THR 67 Cb -0.20 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.78 1x4m s THR 67 CO 0.01 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1x4m n GLY 68 N -1.50 0.22 3.87 3.99 0.00 0.12 0.17 105.19 112.06 1x4m n GLY 68 Ca -0.08 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 1x4m n GLY 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x4m s ASP 69 N -4.00 5.83 0.30 1.61 1.11 -1.26 0.58 116.67 120.84 1x4m s ASP 69 Ca 0.00 -0.10 0.09 0.00 0.18 0.00 0.00 52.55 52.72 1x4m s ASP 69 Cb 0.00 -1.59 0.47 0.00 1.07 0.00 0.00 42.92 42.87 1x4m s ASP 69 CO 0.00 -0.02 1.69 1.55 1.18 0.00 0.00 175.17 179.57 1x4m h PRO 70 N 1.60 0.12 0.00 8.23 0.13 -1.90 0.54 132.00 140.73 1x4m h PRO 70 Ca -0.49 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.45 1x4m h PRO 70 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1x4m h PRO 70 CO 0.62 0.57 -1.09 -0.92 -0.23 0.00 0.00 178.00 176.96 1x4m h TYR 71 N 0.10 0.00 0.00 1.56 3.20 -2.00 -3.32 116.97 116.51 1x4m h TYR 71 Ca 0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1x4m h TYR 71 Cb 0.88 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 1x4m h TYR 71 CO 0.01 0.45 -0.89 1.63 -1.64 0.00 0.00 178.16 177.72 1x4m n LYS 72 N -2.94 0.50 -0.32 1.82 5.02 -1.15 -3.90 118.16 117.19 1x4m n LYS 72 Ca -0.05 0.52 0.16 0.00 -2.02 0.00 0.00 58.31 56.92 1x4m n LYS 72 Cb 0.76 -1.69 0.32 0.00 -0.02 0.00 0.00 35.03 34.40 1x4m n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x4m h VAL 73 N -1.00 0.16 -0.26 -0.18 2.07 -0.11 1.32 116.25 118.25 1x4m h VAL 73 Ca -0.16 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1x4m h VAL 73 Cb 0.87 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1x4m h VAL 73 CO -0.09 0.02 0.02 0.06 0.02 0.00 0.00 177.57 177.60 1x4m h GLN 74 N 0.10 0.37 -0.00 1.57 3.07 -1.74 -1.25 115.11 117.24 1x4m h GLN 74 Ca 0.60 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 59.26 1x4m h GLN 74 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1x4m h GLN 74 CO -0.77 0.39 -0.08 1.96 0.09 0.00 0.00 178.83 180.41 1x4m h GLN 75 N 0.37 0.06 -0.78 0.06 1.08 0.15 -3.31 115.11 112.73 1x4m h GLN 75 Ca 0.09 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 1x4m h GLN 75 Cb 0.21 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.60 1x4m h GLN 75 CO 0.00 0.82 0.47 0.00 -0.95 0.00 0.00 178.83 179.17 1x4m h ALA 76 N 0.24 1.07 -1.06 3.87 0.00 -0.66 -1.63 119.26 121.09 1x4m h ALA 76 Ca -0.01 0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.19 1x4m h ALA 76 Cb 0.85 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.34 1x4m h ALA 76 CO 0.02 0.18 0.66 -0.22 0.00 0.00 0.00 179.25 179.88 1x4m h LYS 77 N 0.85 0.39 -0.17 0.00 3.64 -1.31 0.15 116.57 120.12 1x4m h LYS 77 Ca 0.35 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 1x4m h LYS 77 Cb 0.18 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1x4m h LYS 77 CO -0.18 0.26 -0.27 0.93 -2.27 0.00 0.00 179.45 177.92 1x4m h GLU 78 N 0.40 0.47 -0.64 1.90 4.39 -1.40 -0.95 114.58 118.76 1x4m h GLU 78 Ca 0.66 -0.29 0.12 0.00 0.34 0.00 0.00 59.36 60.19 1x4m h GLU 78 Cb 1.58 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 30.17 1x4m h GLU 78 CO -0.41 0.88 0.14 0.52 -1.16 0.00 0.00 179.01 178.99 1x4m h MET 79 N 0.11 0.26 0.05 2.33 2.86 -0.58 -0.37 114.93 119.59 1x4m h MET 79 Ca 0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1x4m h MET 79 Cb 0.84 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1x4m h MET 79 CO 0.06 0.17 -0.03 0.28 1.06 0.00 0.00 176.91 178.46 1x4m h VAL 80 N 0.27 1.29 -1.15 -2.22 2.07 -1.40 -2.78 116.25 112.33 1x4m h VAL 80 Ca 0.34 -1.43 0.33 0.00 0.82 0.00 0.00 66.70 66.76 1x4m h VAL 80 Cb 0.52 2.19 -0.10 0.00 -1.52 0.00 0.00 31.29 32.38 1x4m h VAL 80 CO -0.43 0.34 0.76 -0.07 0.02 0.00 0.00 177.57 178.19 1x4m h LEU 81 N -0.74 0.32 -0.18 2.57 3.38 -0.80 0.82 115.31 120.68 1x4m h LEU 81 Ca -0.01 0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.84 1x4m h LEU 81 Cb 0.62 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1x4m h LEU 81 CO 0.01 -0.00 -0.94 -0.08 0.09 0.00 0.00 178.44 177.52 1x4m h GLU 82 N 0.25 0.11 -0.20 1.13 4.22 -1.08 -2.65 114.58 116.36 1x4m h GLU 82 Ca 0.66 -0.15 0.01 0.00 0.08 0.00 0.00 59.36 59.96 1x4m h GLU 82 Cb 1.94 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 1x4m h GLU 82 CO -0.29 0.97 0.13 1.25 -2.18 0.00 0.00 179.01 178.90 1x4m h LEU 83 N 0.05 0.21 0.00 1.64 7.12 0.94 -1.64 115.31 123.64 1x4m h LEU 83 Ca -0.04 -0.01 -0.13 0.00 0.13 0.00 0.00 57.88 57.83 1x4m h LEU 83 Cb 1.62 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.67 1x4m h LEU 83 CO 0.14 0.15 -1.38 2.30 -0.13 0.00 0.00 178.44 179.52 1x4m n ILE 84 N -4.51 1.04 -0.07 4.05 -5.35 -0.97 -4.19 119.36 109.36 1x4m n ILE 84 Ca 0.00 -0.66 -0.12 0.00 -0.27 0.00 0.00 62.75 61.70 1x4m n ILE 84 Cb 0.09 -0.63 -0.05 0.00 -1.74 0.00 0.00 39.64 37.31 1x4m n ILE 84 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1x4m h ARG 85 N 0.00 0.40 -3.33 6.28 3.08 -0.96 -3.44 114.38 116.41 1x4m h ARG 85 Ca -0.14 -0.16 -0.26 0.00 0.07 0.00 0.00 59.98 59.49 1x4m h ARG 85 Cb 1.47 -0.02 -0.33 0.00 0.08 0.00 0.00 29.97 31.17 1x4m h ARG 85 CO 0.03 0.66 -0.64 0.34 -1.07 0.00 0.00 179.97 179.29 1x4m s ASP 86 N -6.01 -0.03 0.80 7.04 2.15 -0.70 -5.10 116.67 114.83 1x4m s ASP 86 Ca -0.14 0.22 -0.11 0.00 0.43 0.00 0.00 52.55 52.96 1x4m s ASP 86 Cb 0.07 0.11 0.08 0.00 -0.30 0.00 0.00 42.92 42.87 1x4m s ASP 86 CO 0.75 -0.15 1.12 -1.58 -0.17 0.00 0.00 175.17 175.14 1x4m s GLN 87 N 1.18 1.93 0.00 4.34 0.74 -1.26 -4.58 119.66 122.01 1x4m s GLN 87 Ca -0.09 1.34 0.00 0.00 0.05 0.00 0.00 55.36 56.66 1x4m s GLN 87 Cb -0.12 -1.85 0.00 0.00 1.10 0.00 0.00 33.01 32.14 1x4m s GLN 87 CO -0.05 -1.92 0.00 0.41 -0.55 0.00 0.00 175.29 173.18 1x4m n GLY 88 N -0.64 -0.73 3.37 2.59 0.00 -1.26 -5.13 105.19 103.40 1x4m n GLY 88 Ca 0.10 0.88 -0.19 0.00 0.00 0.00 0.00 46.02 46.82 1x4m n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4m s SER 89 N 0.00 2.35 0.00 1.61 0.01 -1.26 -4.95 113.70 111.47 1x4m s SER 89 Ca 0.00 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.09 1x4m s SER 89 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1x4m s SER 89 CO 0.00 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1x4m n GLY 90 N -0.48 2.63 0.00 3.44 0.00 -1.26 -4.90 105.19 104.61 1x4m n GLY 90 Ca -0.06 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.54 1x4m n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4m n PRO 91 N 0.00 0.49 -2.36 1.61 -0.04 -1.26 -4.78 135.00 128.67 1x4m n PRO 91 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1x4m n PRO 91 Cb 0.00 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 1x4m n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4m s SER 92 N -1.87 7.03 0.60 3.54 0.15 -1.26 -4.98 113.70 116.91 1x4m s SER 92 Ca 0.17 2.15 -0.20 0.00 0.70 0.00 0.00 55.95 58.78 1x4m s SER 92 Cb 0.08 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 1x4m s SER 92 CO 0.13 -0.47 1.30 -0.24 1.20 0.00 0.00 173.24 175.16 1x4m n SER 93 N 3.44 2.25 0.00 5.45 2.88 -1.26 -5.20 113.62 121.18 1x4m n SER 93 Ca 0.08 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1x4m n SER 93 Cb 0.45 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 1x4m n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42