#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbe s TYR 7 N 0.00 0.11 -0.04 2.11 -0.85 -1.26 -4.59 117.35 112.83 2bbe s TYR 7 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 2bbe s TYR 7 Cb 0.00 -0.05 0.03 0.00 0.38 0.00 0.00 41.96 42.32 2bbe s TYR 7 CO 0.00 -0.50 -0.01 0.21 -1.52 0.00 0.00 175.55 173.74 2bbe s LYS 8 N -3.33 0.41 0.01 -3.49 2.20 -0.10 -4.97 119.74 110.47 2bbe s LYS 8 Ca 0.01 0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 2bbe s LYS 8 Cb 0.02 -0.58 -0.05 0.00 -1.51 0.00 0.00 37.83 35.72 2bbe s LYS 8 CO -0.08 -0.14 1.20 0.42 -0.36 0.00 0.00 175.35 176.39 2bbe s ILE 9 N 1.10 4.15 -0.43 5.43 1.01 -1.26 -0.98 121.20 130.22 2bbe s ILE 9 Ca -0.09 1.52 -0.29 0.00 0.00 0.00 0.00 60.65 61.79 2bbe s ILE 9 Cb -0.14 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.38 2bbe s ILE 9 CO -0.02 0.06 1.17 0.21 0.00 0.00 0.00 174.94 176.37 2bbe s ASN 10 N 1.27 6.65 0.00 3.58 3.84 0.48 -4.90 114.94 125.86 2bbe s ASN 10 Ca 0.57 0.65 0.28 0.00 0.21 0.00 0.00 52.86 54.58 2bbe s ASN 10 Cb -0.27 -2.55 1.17 0.00 -0.55 0.00 0.00 41.25 39.05 2bbe s ASN 10 CO 0.26 -1.20 1.82 0.00 -2.79 0.00 0.00 177.10 175.19 2bbe n GLN 11 N 7.68 0.86 -0.10 0.43 1.13 -1.26 -4.02 117.38 122.09 2bbe n GLN 11 Ca 0.13 -0.36 -0.14 0.00 -1.94 0.00 0.00 57.00 54.69 2bbe n GLN 11 Cb 0.48 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.29 2bbe n GLN 11 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2bbe n GLN 12 N -0.76 0.54 -2.17 -1.09 7.27 -1.26 -5.00 117.38 114.91 2bbe n GLN 12 Ca 0.15 0.25 -0.35 0.00 0.07 0.00 0.00 57.00 57.13 2bbe n GLN 12 Cb 0.29 -1.47 0.01 0.00 2.41 0.00 0.00 30.24 31.48 2bbe n GLN 12 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2bbe s GLN 13 N -2.76 3.23 -0.13 3.69 -0.21 -1.24 -4.03 119.66 118.21 2bbe s GLN 13 Ca -0.30 1.64 0.02 0.00 0.02 0.00 0.00 55.36 56.75 2bbe s GLN 13 Cb 0.06 -1.98 0.01 0.00 1.00 0.00 0.00 33.01 32.10 2bbe s GLN 13 CO 0.43 -0.96 -0.20 0.42 -2.12 0.00 0.00 175.29 172.86 2bbe s ILE 14 N -1.78 1.92 -0.09 1.08 -1.09 -0.41 -4.54 121.20 116.29 2bbe s ILE 14 Ca 0.73 -0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 58.22 2bbe s ILE 14 Cb -0.25 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 38.89 2bbe s ILE 14 CO 0.29 0.52 0.07 -0.69 -1.23 0.00 0.00 174.94 173.90 2bbe s VAL 15 N 0.82 4.84 -0.02 2.92 1.01 -0.26 -0.53 120.40 129.18 2bbe s VAL 15 Ca -0.08 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.84 2bbe s VAL 15 Cb -0.16 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2bbe s VAL 15 CO -0.01 0.59 -0.06 0.00 0.00 0.00 0.00 175.10 175.62 2bbe s VAL 17 N 0.30 2.28 -0.20 0.00 1.01 -0.36 -0.37 120.40 123.05 2bbe s VAL 17 Ca -0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 2bbe s VAL 17 Cb -0.08 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.40 2bbe s VAL 17 CO -0.00 0.53 -0.03 0.00 0.00 0.00 0.00 175.10 175.59 2bbe s ALA 18 N 1.11 1.57 -0.02 5.51 0.00 -0.53 -1.26 121.76 128.14 2bbe s ALA 18 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2bbe s ALA 18 Cb -0.14 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 2bbe s ALA 18 CO -0.07 -1.04 -0.06 -1.54 0.00 0.00 0.00 175.76 173.04 2bbe s SER 19 N 1.59 4.66 -0.07 0.00 1.04 -0.08 -0.43 113.70 120.41 2bbe s SER 19 Ca -0.02 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.32 2bbe s SER 19 Cb -0.17 -1.13 0.02 0.00 0.10 0.00 0.00 66.02 64.84 2bbe s SER 19 CO -0.07 0.31 -0.07 -0.36 0.98 0.00 0.00 173.24 174.03 2bbe s PHE 20 N -0.93 1.13 -0.38 5.02 0.08 0.23 -0.94 117.98 122.18 2bbe s PHE 20 Ca 0.15 -0.44 -0.15 0.00 0.12 0.00 0.00 56.93 56.62 2bbe s PHE 20 Cb -0.11 -0.95 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 2bbe s PHE 20 CO 0.05 -0.32 0.33 -1.17 -0.10 0.00 0.00 175.22 174.01 2bbe s LEU 21 N 1.22 4.76 0.66 -0.37 2.96 0.47 -0.98 118.68 127.40 2bbe s LEU 21 Ca -0.05 -0.59 -0.15 0.00 -0.22 0.00 0.00 54.13 53.12 2bbe s LEU 21 Cb -0.14 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.31 2bbe s LEU 21 CO -0.02 -0.40 1.12 -0.94 -1.32 0.00 0.00 176.35 174.79 2bbe s SER 22 N 1.73 5.06 0.83 3.68 1.04 -0.04 -0.09 113.70 125.91 2bbe s SER 22 Ca 0.08 2.05 -0.10 0.00 0.48 0.00 0.00 55.95 58.46 2bbe s SER 22 Cb -0.18 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.48 2bbe s SER 22 CO 0.11 -1.67 1.11 -0.54 0.98 0.00 0.00 173.24 173.24 2bbe s LYS 23 N -4.02 1.74 0.15 4.02 1.02 0.31 -4.36 119.74 118.60 2bbe s LYS 23 Ca 0.68 1.29 -0.34 0.00 0.02 0.00 0.00 55.97 57.62 2bbe s LYS 23 Cb -0.22 -1.83 -0.15 0.00 -0.52 0.00 0.00 37.83 35.12 2bbe s LYS 23 CO 0.41 -2.04 1.44 -1.91 -0.92 0.00 0.00 175.35 172.33 2bbe n GLU 24 N -3.81 1.75 -0.96 1.68 0.00 -1.26 -1.74 120.64 116.30 2bbe n GLU 24 Ca 0.10 0.63 0.00 0.00 0.00 0.00 0.00 57.16 57.89 2bbe n GLU 24 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 31.44 29.65 2bbe n GLU 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2bbe n GLY 25 N 2.82 0.70 0.46 8.31 0.00 -1.26 -4.87 105.19 111.35 2bbe n GLY 25 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 2bbe n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bbe n LYS 26 N -2.16 2.19 -0.01 1.61 4.76 -0.71 -4.75 118.16 119.07 2bbe n LYS 26 Ca 0.00 -1.68 -0.12 0.00 -2.87 0.00 0.00 58.31 53.63 2bbe n LYS 26 Cb 0.03 -1.20 -0.07 0.00 -1.84 0.00 0.00 35.03 31.94 2bbe n LYS 26 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2bbe h THR 27 N 1.60 1.22 -0.60 -0.18 2.02 -1.90 -0.06 112.91 115.01 2bbe h THR 27 Ca 0.00 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.54 2bbe h THR 27 Cb 0.59 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 2bbe h THR 27 CO 0.00 0.18 0.37 -0.33 0.37 0.00 0.00 175.52 176.12 2bbe h GLU 28 N -0.15 0.72 -0.95 6.66 5.08 -1.96 -0.54 114.58 123.43 2bbe h GLU 28 Ca 0.02 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2bbe h GLU 28 Cb 0.29 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2bbe h GLU 28 CO 0.00 0.47 0.63 0.00 -1.00 0.00 0.00 179.01 179.11 2bbe h ALA 29 N 1.26 1.36 -0.24 3.43 0.00 -1.85 -1.58 119.26 121.64 2bbe h ALA 29 Ca 0.24 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2bbe h ALA 29 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2bbe h ALA 29 CO -0.09 0.57 -0.08 1.25 0.00 0.00 0.00 179.25 180.89 2bbe h LEU 30 N 1.24 0.49 -0.38 0.00 5.85 -0.23 -1.19 115.31 121.09 2bbe h LEU 30 Ca 0.36 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2bbe h LEU 30 Cb -0.07 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2bbe h LEU 30 CO -0.10 0.76 0.20 0.40 -0.34 0.00 0.00 178.44 179.37 2bbe h ILE 31 N 0.21 1.00 -0.63 4.05 2.04 -0.96 -0.94 117.51 122.27 2bbe h ILE 31 Ca 0.06 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2bbe h ILE 31 Cb 0.57 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2bbe h ILE 31 CO 0.03 0.07 0.39 0.00 0.00 0.00 0.00 178.15 178.64 2bbe h ALA 32 N 1.19 0.82 -0.42 1.87 0.00 -1.19 0.14 119.26 121.68 2bbe h ALA 32 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2bbe h ALA 32 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2bbe h ALA 32 CO -0.10 0.13 0.16 0.00 0.00 0.00 0.00 179.25 179.44 2bbe h ALA 33 N 1.28 0.54 -0.34 0.00 0.00 -0.83 -1.27 119.26 118.64 2bbe h ALA 33 Ca 0.26 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2bbe h ALA 33 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2bbe h ALA 33 CO -0.11 0.16 -0.32 -0.07 0.00 0.00 0.00 179.25 178.90 2bbe h LEU 34 N 0.53 0.87 -1.59 0.00 3.38 -1.01 -3.08 115.31 114.40 2bbe h LEU 34 Ca 0.14 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2bbe h LEU 34 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2bbe h LEU 34 CO -0.01 1.15 -0.21 0.00 0.09 0.00 0.00 178.44 179.46 2bbe h ALA 35 N 0.74 1.62 0.00 1.53 0.00 -0.54 -2.00 119.26 120.61 2bbe h ALA 35 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2bbe h ALA 35 Cb 0.91 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2bbe h ALA 35 CO 0.08 0.26 -0.03 0.66 0.00 0.00 0.00 179.25 180.23 2bbe h SER 36 N 0.00 0.00 1.65 0.00 4.64 -1.14 -2.14 113.55 116.56 2bbe h SER 36 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bbe h SER 36 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2bbe h SER 36 CO 0.03 0.03 -0.01 -0.07 -0.87 0.00 0.00 176.83 175.93 2bbe h LEU 37 N 0.00 0.00 0.04 5.97 3.38 -1.44 -3.40 115.31 119.86 2bbe h LEU 37 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bbe h LEU 37 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2bbe h LEU 37 CO 0.00 0.00 -0.02 0.40 0.09 0.00 0.00 178.44 178.91 2bbe h ILE 38 N 0.00 1.24 -0.70 1.22 2.04 -1.49 -2.84 117.51 116.99 2bbe h ILE 38 Ca 0.00 -0.95 0.07 0.00 1.00 0.00 0.00 64.86 64.98 2bbe h ILE 38 Cb 0.83 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 38.71 2bbe h ILE 38 CO 0.00 0.24 0.38 -0.65 0.00 0.00 0.00 178.15 178.12 2bbe h PRO 39 N -0.48 0.65 -0.01 2.37 0.11 -1.77 -0.39 132.00 132.48 2bbe h PRO 39 Ca -0.01 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.91 2bbe h PRO 39 Cb 0.44 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 2bbe h PRO 39 CO 0.01 0.43 -0.73 -0.44 -0.21 0.00 0.00 178.00 177.07 2bbe h ASP 40 N 0.67 0.08 -0.34 -2.05 3.32 -1.85 -3.05 116.42 113.20 2bbe h ASP 40 Ca 0.32 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 2bbe h ASP 40 Cb 0.25 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2bbe h ASP 40 CO -0.21 0.77 -0.23 0.74 -1.72 0.00 0.00 179.24 178.60 2bbe h THR 41 N 0.04 1.29 0.00 0.35 2.02 -1.13 -2.80 112.91 112.68 2bbe h THR 41 Ca -0.01 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 2bbe h THR 41 Cb 1.28 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2bbe h THR 41 CO 0.10 0.45 -0.07 0.03 0.37 0.00 0.00 175.52 176.40 2bbe h ARG 42 N 0.52 0.00 -0.00 6.66 3.08 -1.10 -1.45 114.38 122.08 2bbe h ARG 42 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2bbe h ARG 42 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2bbe h ARG 42 CO 0.06 0.07 -0.08 0.54 -1.07 0.00 0.00 179.97 179.49 2bbe n ARG 43 N -3.78 0.89 -2.10 0.04 1.74 -1.07 -4.85 116.66 107.54 2bbe n ARG 43 Ca -0.02 -0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 56.32 2bbe n ARG 43 Cb 0.16 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 2bbe n ARG 43 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2bbe s GLU 44 N -2.33 4.31 0.36 5.56 2.02 -0.55 -4.93 118.70 123.14 2bbe s GLU 44 Ca 0.33 2.18 0.07 0.00 0.02 0.00 0.00 54.97 57.58 2bbe s GLU 44 Cb 0.20 -3.17 0.78 0.00 0.10 0.00 0.00 34.13 32.04 2bbe s GLU 44 CO 0.44 -0.40 1.91 0.00 0.02 0.00 0.00 175.26 177.23 2bbe h ALA 45 N 5.78 1.77 -0.41 5.21 0.00 -1.88 -2.42 119.26 127.31 2bbe h ALA 45 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2bbe h ALA 45 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2bbe h ALA 45 CO 0.81 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.53 2bbe n GLY 46 N -1.44 1.59 3.67 0.00 0.00 -1.26 -4.89 105.19 102.85 2bbe n GLY 46 Ca 0.14 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2bbe n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bbe n ILE 48 N 4.78 1.60 -3.76 0.00 5.41 0.62 -4.91 119.36 123.11 2bbe n ILE 48 Ca 0.06 -0.55 -0.13 0.00 1.00 0.00 0.00 62.75 63.14 2bbe n ILE 48 Cb 0.48 -1.61 -0.11 0.00 -0.71 0.00 0.00 39.64 37.69 2bbe n ILE 48 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2bbe s ARG 49 N -2.52 0.34 -0.43 0.38 3.52 -0.65 -4.94 118.95 114.65 2bbe s ARG 49 Ca -0.31 0.47 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 2bbe s ARG 49 Cb 0.09 0.12 0.17 0.00 -1.56 0.00 0.00 34.95 33.77 2bbe s ARG 49 CO 0.65 -0.07 0.53 -0.47 -0.81 0.00 0.00 175.30 175.13 2bbe s TYR 50 N 0.42 -0.77 -0.13 5.12 5.04 -1.25 -0.98 117.35 124.80 2bbe s TYR 50 Ca -0.02 -0.77 -0.00 0.00 -2.44 0.00 0.00 57.07 53.83 2bbe s TYR 50 Cb -0.04 -0.12 -0.02 0.00 0.35 0.00 0.00 41.96 42.14 2bbe s TYR 50 CO -0.02 -1.08 -0.13 -1.21 -1.34 0.00 0.00 175.55 171.77 2bbe s GLU 51 N 1.11 3.35 -0.00 4.97 2.02 -0.06 -4.97 118.70 125.12 2bbe s GLU 51 Ca 0.23 -0.68 -0.05 0.00 0.02 0.00 0.00 54.97 54.50 2bbe s GLU 51 Cb -0.05 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 2bbe s GLU 51 CO -0.07 0.24 0.23 -1.17 0.02 0.00 0.00 175.26 174.51 2bbe s LEU 52 N 0.28 4.37 -0.08 1.80 2.96 -1.26 -0.33 118.68 126.42 2bbe s LEU 52 Ca -0.09 0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 54.21 2bbe s LEU 52 Cb -0.16 -2.64 0.02 0.00 0.50 0.00 0.00 46.19 43.91 2bbe s LEU 52 CO 0.05 0.26 0.20 0.20 -1.32 0.00 0.00 176.35 175.74 2bbe s ASN 53 N -1.80 -0.21 -0.14 3.68 -0.87 -0.30 -4.99 114.94 110.31 2bbe s ASN 53 Ca 0.27 0.40 -0.02 0.00 -1.57 0.00 0.00 52.86 51.95 2bbe s ASN 53 Cb -0.13 0.40 -0.02 0.00 -0.02 0.00 0.00 41.25 41.48 2bbe s ASN 53 CO 0.17 -0.07 -0.08 0.68 -2.57 0.00 0.00 177.10 175.23 2bbe s VAL 54 N 0.14 3.55 0.22 1.60 -7.23 -1.26 -0.46 120.40 116.97 2bbe s VAL 54 Ca -0.00 -0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 2bbe s VAL 54 Cb -0.02 -2.52 -0.10 0.00 0.56 0.00 0.00 36.38 34.31 2bbe s VAL 54 CO -0.00 0.52 1.41 -0.55 -0.31 0.00 0.00 175.10 176.17 2bbe s SER 55 N 0.23 6.73 0.40 4.85 0.15 -0.58 -4.92 113.70 120.56 2bbe s SER 55 Ca -0.05 2.56 0.22 0.00 0.70 0.00 0.00 55.95 59.39 2bbe s SER 55 Cb -0.14 -2.61 0.28 0.00 -1.71 0.00 0.00 66.02 61.83 2bbe s SER 55 CO 0.04 -0.66 1.53 0.03 1.20 0.00 0.00 173.24 175.37 2bbe h ARG 56 N 5.39 0.00 0.01 5.44 3.08 -1.96 -3.34 114.38 123.00 2bbe h ARG 56 Ca -0.45 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.26 2bbe h ARG 56 Cb 1.21 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.21 2bbe h ARG 56 CO 0.79 0.04 -2.07 -0.25 -1.07 0.00 0.00 179.97 177.41 2bbe n ASP 57 N -3.06 0.80 -3.58 7.04 8.00 -1.26 -4.74 116.55 119.76 2bbe n ASP 57 Ca 0.03 0.18 -0.29 0.00 0.71 0.00 0.00 54.79 55.42 2bbe n ASP 57 Cb 0.55 0.20 -0.13 0.00 -0.02 0.00 0.00 41.12 41.72 2bbe n ASP 57 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2bbe s GLU 58 N -2.55 0.71 0.00 -1.24 2.56 -1.26 -5.03 118.70 111.90 2bbe s GLU 58 Ca -0.12 -1.35 0.10 0.00 0.00 0.00 0.00 54.97 53.60 2bbe s GLU 58 Cb 0.07 -1.65 0.47 0.00 2.00 0.00 0.00 34.13 35.02 2bbe s GLU 58 CO 0.80 -1.14 1.29 -2.30 -0.56 0.00 0.00 175.26 173.35 2bbe n PRO 59 N 4.20 0.05 0.05 4.30 -0.02 -1.25 -0.51 135.00 141.82 2bbe n PRO 59 Ca 0.06 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 2bbe n PRO 59 Cb 0.38 -1.50 0.50 0.00 -0.02 0.00 0.00 33.50 32.86 2bbe n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bbe n ARG 60 N -1.42 0.12 -3.34 -0.52 1.74 -1.26 -4.76 116.66 107.21 2bbe n ARG 60 Ca 0.03 0.14 -0.38 0.00 -0.77 0.00 0.00 57.85 56.87 2bbe n ARG 60 Cb 0.11 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 29.84 2bbe n ARG 60 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2bbe s ARG 61 N -3.06 4.27 -0.06 5.56 3.52 0.33 -0.86 118.95 128.65 2bbe s ARG 61 Ca 0.11 0.46 0.03 0.00 -0.13 0.00 0.00 55.73 56.21 2bbe s ARG 61 Cb 0.15 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 30.16 2bbe s ARG 61 CO 0.53 0.27 -0.14 0.08 -0.81 0.00 0.00 175.30 175.23 2bbe s VAL 62 N 0.24 1.28 -0.03 7.11 1.01 -0.15 -1.52 120.40 128.33 2bbe s VAL 62 Ca 0.26 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2bbe s VAL 62 Cb -0.16 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.10 2bbe s VAL 62 CO 0.11 0.38 -0.04 -0.89 0.00 0.00 0.00 175.10 174.67 2bbe s THR 63 N 0.44 0.47 -0.01 3.92 2.01 0.40 -0.61 115.64 122.26 2bbe s THR 63 Ca -0.12 -0.12 -0.19 0.00 0.31 0.00 0.00 61.69 61.58 2bbe s THR 63 Cb -0.14 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 2bbe s THR 63 CO 0.04 0.20 0.53 -0.36 -0.69 0.00 0.00 174.62 174.33 2bbe s PHE 64 N 0.72 3.69 -0.21 4.92 0.08 0.43 -1.16 117.98 126.45 2bbe s PHE 64 Ca -0.09 1.11 -0.01 0.00 0.12 0.00 0.00 56.93 58.06 2bbe s PHE 64 Cb -0.12 -2.51 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 2bbe s PHE 64 CO -0.00 0.43 -0.11 0.08 -0.10 0.00 0.00 175.22 175.52 2bbe s VAL 65 N -0.41 2.72 0.12 -0.44 1.01 0.56 -1.45 120.40 122.50 2bbe s VAL 65 Ca 0.28 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2bbe s VAL 65 Cb -0.18 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2bbe s VAL 65 CO 0.15 0.39 -0.12 -1.61 0.00 0.00 0.00 175.10 173.91 2bbe s GLU 66 N 1.36 1.00 -0.13 2.72 2.02 0.50 -0.89 118.70 125.27 2bbe s GLU 66 Ca 0.03 -1.27 -0.10 0.00 0.02 0.00 0.00 54.97 53.66 2bbe s GLU 66 Cb -0.15 -0.77 0.04 0.00 0.10 0.00 0.00 34.13 33.36 2bbe s GLU 66 CO -0.07 0.13 0.34 0.21 0.02 0.00 0.00 175.26 175.89 2bbe s LYS 67 N -2.94 0.36 0.10 1.61 2.20 -0.15 -1.41 119.74 119.51 2bbe s LYS 67 Ca 0.10 0.57 0.05 0.00 -0.36 0.00 0.00 55.97 56.33 2bbe s LYS 67 Cb -0.03 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 2bbe s LYS 67 CO 0.02 -0.10 -0.13 -0.06 -0.36 0.00 0.00 175.35 174.72 2bbe s PHE 68 N 0.74 1.25 0.51 4.03 0.40 0.31 -0.27 117.98 124.95 2bbe s PHE 68 Ca -0.05 -0.55 0.23 0.00 -0.60 0.00 0.00 56.93 55.97 2bbe s PHE 68 Cb -0.06 -0.67 1.46 0.00 0.51 0.00 0.00 43.02 44.26 2bbe s PHE 68 CO -0.05 0.08 2.15 -0.39 0.70 0.00 0.00 175.22 177.70 2bbe h VAL 69 N 3.79 0.77 -2.25 -0.44 -1.51 -1.36 -1.09 116.25 114.16 2bbe h VAL 69 Ca -0.39 -0.22 0.24 0.00 -1.23 0.00 0.00 66.70 65.09 2bbe h VAL 69 Cb 1.19 1.13 -0.06 0.00 -2.13 0.00 0.00 31.29 31.42 2bbe h VAL 69 CO 0.48 0.06 0.69 1.51 -1.23 0.00 0.00 177.57 179.08 2bbe s ASP 70 N -6.55 -0.02 0.28 4.19 1.47 -1.26 -3.68 116.67 111.09 2bbe s ASP 70 Ca -0.04 -0.44 0.02 0.00 1.18 0.00 0.00 52.55 53.26 2bbe s ASP 70 Cb 0.15 0.36 0.40 0.00 -0.34 0.00 0.00 42.92 43.49 2bbe s ASP 70 CO 0.61 -0.70 1.73 -0.29 0.68 0.00 0.00 175.17 177.20 2bbe h ILE 71 N 2.00 1.26 -0.83 2.11 6.09 -1.90 -2.05 117.51 124.19 2bbe h ILE 71 Ca -0.26 -1.21 0.06 0.00 -1.37 0.00 0.00 64.86 62.07 2bbe h ILE 71 Cb 1.21 1.26 -0.06 0.00 0.47 0.00 0.00 36.82 39.70 2bbe h ILE 71 CO 0.32 0.39 0.52 0.00 -3.07 0.00 0.00 178.15 176.31 2bbe h ALA 72 N 1.30 1.13 -0.38 0.18 0.00 -1.96 0.76 119.26 120.29 2bbe h ALA 72 Ca 0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2bbe h ALA 72 Cb 0.63 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2bbe h ALA 72 CO 0.04 0.27 -0.30 0.00 0.00 0.00 0.00 179.25 179.27 2bbe h ALA 73 N 1.39 0.74 -0.24 0.00 0.00 -1.81 -0.47 119.26 118.87 2bbe h ALA 73 Ca 0.36 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bbe h ALA 73 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2bbe h ALA 73 CO -0.16 0.66 0.14 0.35 0.00 0.00 0.00 179.25 180.24 2bbe h PHE 74 N 0.71 0.32 -0.79 0.00 3.57 -0.93 -1.43 116.94 118.39 2bbe h PHE 74 Ca 0.08 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2bbe h PHE 74 Cb 0.85 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2bbe h PHE 74 CO 0.05 0.26 0.41 -0.44 -2.23 0.00 0.00 178.31 176.35 2bbe h ASP 75 N 0.29 1.01 -0.42 0.41 3.32 -0.67 -1.07 116.42 119.28 2bbe h ASP 75 Ca 0.09 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2bbe h ASP 75 Cb 0.04 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2bbe h ASP 75 CO -0.02 0.83 0.24 -0.33 -1.72 0.00 0.00 179.24 178.25 2bbe h GLU 76 N 1.10 0.47 -0.16 3.56 5.08 -0.96 -1.83 114.58 121.84 2bbe h GLU 76 Ca 0.27 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.64 2bbe h GLU 76 Cb 0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2bbe h GLU 76 CO -0.04 0.31 -0.06 1.25 -1.00 0.00 0.00 179.01 179.48 2bbe h HIS 77 N 0.49 -0.13 0.00 4.33 2.76 -0.82 -2.69 115.15 119.09 2bbe h HIS 77 Ca 0.17 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2bbe h HIS 77 Cb 0.02 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 2bbe h HIS 77 CO -0.08 -0.09 -0.09 0.00 -1.30 0.00 0.00 177.93 176.38 2bbe n ALA 79 N -2.30 2.88 -1.77 0.00 0.00 -0.71 -4.38 120.51 114.23 2bbe n ALA 79 Ca -0.02 -0.40 -0.40 0.00 0.00 0.00 0.00 53.44 52.62 2bbe n ALA 79 Cb 0.19 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.48 2bbe n ALA 79 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2bbe s LYS 80 N -2.33 3.83 0.19 0.00 -0.14 -0.83 -4.84 119.74 115.62 2bbe s LYS 80 Ca 0.29 2.34 -0.15 0.00 -1.36 0.00 0.00 55.97 57.09 2bbe s LYS 80 Cb 0.20 -2.72 0.18 0.00 -1.68 0.00 0.00 37.83 33.81 2bbe s LYS 80 CO 0.45 -0.67 1.65 0.22 -0.76 0.00 0.00 175.35 176.24 2bbe h ASP 81 N 2.52 -0.47 0.01 2.83 3.58 -1.92 -0.91 116.42 122.06 2bbe h ASP 81 Ca -0.50 0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.03 2bbe h ASP 81 Cb 1.26 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 42.61 2bbe h ASP 81 CO 0.62 -0.17 -0.20 0.00 -2.88 0.00 0.00 179.24 176.61 2bbe h ALA 82 N 1.53 1.29 -0.12 -0.78 0.00 -1.95 0.93 119.26 120.16 2bbe h ALA 82 Ca 0.26 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2bbe h ALA 82 Cb 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bbe h ALA 82 CO -0.54 0.47 -0.20 0.82 0.00 0.00 0.00 179.25 179.80 2bbe h ILE 83 N 0.31 1.38 -0.80 0.00 1.08 -1.64 -1.03 117.51 116.81 2bbe h ILE 83 Ca 0.05 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.07 2bbe h ILE 83 Cb 0.54 2.05 -0.04 0.00 -3.07 0.00 0.00 36.82 36.30 2bbe h ILE 83 CO 0.04 0.42 0.51 -0.61 -0.69 0.00 0.00 178.15 177.82 2bbe h GLN 84 N -0.08 1.07 -0.39 2.37 4.15 -0.99 -1.54 115.11 119.70 2bbe h GLN 84 Ca 0.01 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2bbe h GLN 84 Cb 0.78 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 2bbe h GLN 84 CO 0.05 0.73 0.21 1.25 -1.93 0.00 0.00 178.83 179.14 2bbe h HIS 85 N 1.09 0.54 0.09 3.99 2.76 -0.78 0.32 115.15 123.17 2bbe h HIS 85 Ca 0.29 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.47 2bbe h HIS 85 Cb -0.09 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.66 2bbe h HIS 85 CO -0.01 0.43 -0.29 -0.92 -1.30 0.00 0.00 177.93 175.83 2bbe h TYR 86 N 0.50 -0.79 -0.31 5.26 3.20 -0.84 0.11 116.97 124.09 2bbe h TYR 86 Ca 0.14 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2bbe h TYR 86 Cb 0.07 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2bbe h TYR 86 CO -0.02 -0.40 0.14 0.74 -1.64 0.00 0.00 178.16 176.99 2bbe h PHE 87 N -0.49 0.46 -0.04 -3.82 0.04 -1.10 0.11 116.94 112.09 2bbe h PHE 87 Ca 0.04 -0.02 -0.25 0.00 2.80 0.00 0.00 57.97 60.53 2bbe h PHE 87 Cb 0.54 -0.14 0.02 0.00 2.20 0.00 0.00 35.95 38.56 2bbe h PHE 87 CO -0.28 0.41 -0.96 0.45 -0.60 0.00 0.00 178.31 177.33 2bbe h HIS 88 N 0.37 1.03 0.00 -0.55 3.86 -0.90 -3.37 115.15 115.58 2bbe h HIS 88 Ca 0.11 -0.53 -0.18 0.00 -1.16 0.00 0.00 60.37 58.61 2bbe h HIS 88 Cb 0.13 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 2bbe h HIS 88 CO -0.02 1.36 -1.68 1.04 0.86 0.00 0.00 177.93 179.50 2bbe n GLN 89 N -3.87 0.75 -0.09 2.45 1.13 0.35 -4.70 117.38 113.40 2bbe n GLN 89 Ca -0.10 0.05 -0.17 0.00 -1.94 0.00 0.00 57.00 54.85 2bbe n GLN 89 Cb 0.84 -1.24 -0.09 0.00 0.11 0.00 0.00 30.24 29.86 2bbe n GLN 89 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2bbe h VAL 90 N 0.00 0.76 -0.71 5.09 2.07 -1.08 -3.40 116.25 118.97 2bbe h VAL 90 Ca -0.27 -1.90 0.15 0.00 0.82 0.00 0.00 66.70 65.51 2bbe h VAL 90 Cb 1.46 1.76 -0.10 0.00 -1.52 0.00 0.00 31.29 32.88 2bbe h VAL 90 CO -0.03 0.26 0.17 -0.03 0.02 0.00 0.00 177.57 177.96 2bbe h MET 91 N -1.00 0.27 0.00 1.57 -1.53 -0.97 -1.48 114.93 111.79 2bbe h MET 91 Ca -0.23 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.01 2bbe h MET 91 Cb 1.06 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 32.05 2bbe h MET 91 CO -0.14 0.18 -0.02 -1.35 0.14 0.00 0.00 176.91 175.71 2bbe h PRO 92 N 0.28 0.00 0.00 0.39 0.11 -1.77 0.06 132.00 131.07 2bbe h PRO 92 Ca 0.40 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.26 2bbe h PRO 92 Cb 0.66 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.73 2bbe h PRO 92 CO -0.49 0.02 -1.32 1.49 -0.21 0.00 0.00 178.00 177.50 2bbe h GLU 93 N 0.00 0.01 0.00 1.05 4.81 -1.48 -3.40 114.58 115.56 2bbe h GLU 93 Ca -0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2bbe h GLU 93 Cb 0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2bbe h GLU 93 CO 0.00 0.79 -1.65 1.28 -0.73 0.00 0.00 179.01 178.70 2bbe n LEU 94 N -3.22 0.00 -4.39 1.64 4.77 -0.87 -4.93 117.00 109.99 2bbe n LEU 94 Ca -0.08 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.58 2bbe n LEU 94 Cb 0.99 0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 42.03 2bbe n LEU 94 CO 0.46 0.09 -0.49 0.68 -1.33 0.00 0.00 177.39 176.81 2bbe s VAL 95 N -2.69 2.72 -0.06 4.08 -7.23 -0.05 -0.53 120.40 116.64 2bbe s VAL 95 Ca -0.05 -0.84 -0.23 0.00 -1.81 0.00 0.00 61.98 59.05 2bbe s VAL 95 Cb 0.07 -2.05 -0.28 0.00 0.56 0.00 0.00 36.38 34.67 2bbe s VAL 95 CO 0.51 0.57 0.92 -0.08 -0.31 0.00 0.00 175.10 176.71 2bbe h GLU 96 N 5.73 0.25 -3.02 4.82 4.81 -0.70 -3.44 114.58 123.03 2bbe h GLU 96 Ca -0.40 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.47 2bbe h GLU 96 Cb 1.16 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.57 2bbe h GLU 96 CO 0.50 1.14 0.20 -1.54 -0.73 0.00 0.00 179.01 178.59 2bbe s SER 97 N -6.73 -0.47 0.26 1.04 1.04 -1.20 -5.04 113.70 102.60 2bbe s SER 97 Ca -0.15 -0.18 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 2bbe s SER 97 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2bbe s SER 97 CO 0.79 -1.07 0.55 0.72 0.98 0.00 0.00 173.24 175.21 2bbe s PHE 98 N -3.80 0.20 -0.14 5.02 -0.71 -1.26 -0.40 117.98 116.89 2bbe s PHE 98 Ca 0.04 -0.59 -0.10 0.00 -1.04 0.00 0.00 56.93 55.24 2bbe s PHE 98 Cb -0.02 0.34 0.04 0.00 -1.21 0.00 0.00 43.02 42.17 2bbe s PHE 98 CO -0.07 -1.06 0.35 -1.58 -1.34 0.00 0.00 175.22 171.51 2bbe s HIS 99 N -3.99 -0.44 -0.07 3.49 2.46 -0.12 -5.00 115.29 111.62 2bbe s HIS 99 Ca 0.19 1.01 0.04 0.00 0.47 0.00 0.00 55.06 56.77 2bbe s HIS 99 Cb -0.02 0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.59 2bbe s HIS 99 CO 0.08 -0.24 -0.20 0.08 -2.47 0.00 0.00 174.74 171.99 2bbe s VAL 100 N 0.76 1.70 -0.02 0.89 1.01 -1.26 -0.91 120.40 122.57 2bbe s VAL 100 Ca -0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2bbe s VAL 100 Cb -0.06 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2bbe s VAL 100 CO -0.05 0.48 -0.02 -0.70 0.00 0.00 0.00 175.10 174.81 2bbe s GLU 101 N 0.30 0.38 0.18 2.72 2.12 -0.39 -5.02 118.70 118.99 2bbe s GLU 101 Ca -0.13 -0.02 0.06 0.00 0.36 0.00 0.00 54.97 55.24 2bbe s GLU 101 Cb -0.16 -0.47 -0.04 0.00 0.26 0.00 0.00 34.13 33.72 2bbe s GLU 101 CO 0.06 -0.05 0.12 0.95 -0.54 0.00 0.00 175.26 175.79 2bbe s THR 102 N 0.62 4.32 0.09 -1.70 -4.23 -1.26 -1.23 115.64 112.26 2bbe s THR 102 Ca -0.07 -1.19 -0.06 0.00 -1.18 0.00 0.00 61.69 59.19 2bbe s THR 102 Cb -0.10 -3.22 -0.01 0.00 1.34 0.00 0.00 72.50 70.51 2bbe s THR 102 CO -0.01 -0.14 0.14 -0.31 -0.54 0.00 0.00 174.62 173.76 2bbe s TYR 103 N -1.80 0.32 -0.02 3.99 1.51 0.74 -4.99 117.35 117.11 2bbe s TYR 103 Ca 0.31 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 2bbe s TYR 103 Cb -0.10 -0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 2bbe s TYR 103 CO 0.23 -0.53 0.02 -1.01 -1.11 0.00 0.00 175.55 173.15 2bbe s HIS 104 N -3.90 3.15 0.25 2.71 3.76 -1.26 -1.11 115.29 118.89 2bbe s HIS 104 Ca 0.08 0.14 -0.29 0.00 -0.15 0.00 0.00 55.06 54.84 2bbe s HIS 104 Cb 0.06 -1.71 -0.09 0.00 1.11 0.00 0.00 32.58 31.94 2bbe s HIS 104 CO -0.08 0.49 0.93 -1.14 -0.85 0.00 0.00 174.74 174.09 2bbe s GLN 105 N -1.49 4.80 -0.30 1.40 0.74 -1.26 -4.87 119.66 118.68 2bbe s GLN 105 Ca 0.19 1.45 -0.11 0.00 0.05 0.00 0.00 55.36 56.94 2bbe s GLN 105 Cb -0.12 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 2bbe s GLN 105 CO 0.10 0.48 0.19 0.08 -0.55 0.00 0.00 175.29 175.59 2bbe s VAL 106 N -1.26 5.14 -0.27 1.34 1.01 -1.26 -0.39 120.40 124.71 2bbe s VAL 106 Ca 0.42 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 2bbe s VAL 106 Cb -0.25 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2bbe s VAL 106 CO 0.30 0.15 0.35 -0.63 0.00 0.00 0.00 175.10 175.27 2bbe s ILE 107 N 1.72 5.19 0.00 2.22 -1.09 -0.15 -4.94 121.20 124.16 2bbe s ILE 107 Ca 0.06 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 2bbe s ILE 107 Cb -0.16 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 2bbe s ILE 107 CO 0.10 0.16 0.33 0.00 -1.23 0.00 0.00 174.94 174.30