#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pbd n GLY 2 N 0.00 6.07 0.19 0.00 0.00 -1.26 -5.05 105.19 105.13 2pbd n GLY 2 Ca 0.00 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.47 2pbd n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2pbd h TRP 3 N 0.00 0.00 -0.69 1.61 4.06 -2.02 -3.05 115.95 115.85 2pbd h TRP 3 Ca 0.00 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.01 2pbd h TRP 3 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 2pbd h TRP 3 CO 0.00 0.29 0.46 -0.91 -3.56 0.00 0.00 178.44 174.71 2pbd h ASN 4 N 0.00 0.64 -0.40 -3.49 2.35 -1.96 -1.11 115.58 111.61 2pbd h ASN 4 Ca -0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2pbd h ASN 4 Cb 1.09 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 2pbd h ASN 4 CO 0.04 0.42 0.27 0.00 -1.65 0.00 0.00 177.43 176.51 2pbd h ALA 5 N 1.62 2.02 -0.57 -0.83 0.00 -1.95 -1.00 119.26 118.56 2pbd h ALA 5 Ca 0.29 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2pbd h ALA 5 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2pbd h ALA 5 CO -0.09 -0.09 -0.05 1.88 0.00 0.00 0.00 179.25 180.89 2pbd h TYR 6 N 0.28 1.14 -0.51 0.00 -1.99 -1.34 -1.26 116.97 113.30 2pbd h TYR 6 Ca 0.18 -0.22 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 2pbd h TYR 6 Cb 0.34 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.76 2pbd h TYR 6 CO -0.00 1.04 0.21 0.82 -0.00 0.00 0.00 178.16 180.22 2pbd h ILE 7 N 0.92 1.21 -0.64 -2.88 1.08 -1.16 -1.21 117.51 114.84 2pbd h ILE 7 Ca 0.15 -0.65 0.03 0.00 -0.39 0.00 0.00 64.86 64.00 2pbd h ILE 7 Cb 0.62 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 2pbd h ILE 7 CO 0.04 0.25 0.39 0.44 -0.69 0.00 0.00 178.15 178.58 2pbd h ASP 8 N 0.68 0.63 -0.19 1.72 3.32 -1.01 -1.06 116.42 120.51 2pbd h ASP 8 Ca 0.17 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.25 2pbd h ASP 8 Cb 0.19 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2pbd h ASP 8 CO -0.01 0.44 0.05 -1.13 -1.72 0.00 0.00 179.24 176.86 2pbd h ASN 9 N 0.76 0.05 0.19 6.45 -0.73 -0.98 -1.88 115.58 119.45 2pbd h ASN 9 Ca 0.26 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.40 2pbd h ASN 9 Cb 0.04 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 2pbd h ASN 9 CO -0.11 0.05 -0.23 -0.07 -0.37 0.00 0.00 177.43 176.70 2pbd h LEU 10 N 0.14 0.07 -0.16 0.34 3.38 -0.85 -2.75 115.31 115.48 2pbd h LEU 10 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2pbd h LEU 10 Cb 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pbd h LEU 10 CO -0.09 0.31 -0.32 0.23 0.09 0.00 0.00 178.44 178.66 2pbd n MET 11 N -4.24 0.31 0.18 1.13 2.81 -0.44 -4.53 117.12 112.35 2pbd n MET 11 Ca -0.02 -0.16 0.03 0.00 -1.81 0.00 0.00 57.70 55.74 2pbd n MET 11 Cb 0.30 -1.50 0.39 0.00 -0.71 0.00 0.00 33.22 31.70 2pbd n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2pbd h ALA 12 N 3.26 1.46 -0.01 3.04 0.00 -1.03 -2.85 119.26 123.13 2pbd h ALA 12 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2pbd h ALA 12 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pbd h ALA 12 CO 0.00 0.40 -0.03 -0.40 0.00 0.00 0.00 179.25 179.22 2pbd n ASP 13 N -4.17 1.02 0.00 0.00 5.68 -1.26 -4.93 116.55 112.88 2pbd n ASP 13 Ca -0.02 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 2pbd n ASP 13 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 2pbd n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pbd n GLY 14 N 1.16 0.88 0.19 6.12 0.00 -1.08 -4.90 105.19 107.56 2pbd n GLY 14 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2pbd n GLY 14 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pbd h THR 15 N 0.00 0.00 -3.70 2.61 1.35 -1.90 -3.47 112.91 107.80 2pbd h THR 15 Ca 0.00 -1.00 -0.67 0.00 -0.55 0.00 0.00 66.41 64.18 2pbd h THR 15 Cb 0.00 1.84 -0.18 0.00 -1.73 0.00 0.00 68.15 68.07 2pbd h THR 15 CO 0.00 0.00 -0.75 0.00 -0.25 0.00 0.00 175.52 174.52 2pbd n GLN 17 N 1.27 0.52 -3.71 0.00 10.64 0.49 -4.70 117.38 121.90 2pbd n GLN 17 Ca -0.15 -0.15 -0.13 0.00 -1.83 0.00 0.00 57.00 54.74 2pbd n GLN 17 Cb 0.52 -1.52 -0.07 0.00 -0.86 0.00 0.00 30.24 28.31 2pbd n GLN 17 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2pbd s ASP 18 N -4.22 -0.24 -0.08 2.61 -1.08 -1.15 -4.99 116.67 107.51 2pbd s ASP 18 Ca -0.05 0.04 -0.30 0.00 -0.52 0.00 0.00 52.55 51.73 2pbd s ASP 18 Cb 0.14 0.38 0.07 0.00 -1.46 0.00 0.00 42.92 42.05 2pbd s ASP 18 CO 0.90 -0.57 0.68 0.00 0.52 0.00 0.00 175.17 176.69 2pbd s ALA 19 N -2.00 -1.75 0.01 3.66 0.00 -1.26 -1.32 121.76 119.11 2pbd s ALA 19 Ca -0.08 1.41 -0.21 0.00 0.00 0.00 0.00 51.96 53.07 2pbd s ALA 19 Cb -0.02 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.96 2pbd s ALA 19 CO 0.01 -0.36 0.48 0.00 0.00 0.00 0.00 175.76 175.89 2pbd s ALA 20 N -0.95 -1.22 -0.19 0.00 0.00 -0.39 -1.91 121.76 117.09 2pbd s ALA 20 Ca -0.09 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 2pbd s ALA 20 Cb -0.01 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.34 2pbd s ALA 20 CO 0.08 -0.41 -0.14 0.42 0.00 0.00 0.00 175.76 175.71 2pbd s ILE 21 N -1.93 2.53 -0.16 0.00 -1.09 -0.18 -0.99 121.20 119.39 2pbd s ILE 21 Ca -0.08 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.57 2pbd s ILE 21 Cb -0.02 -2.10 0.02 0.00 -1.58 0.00 0.00 42.46 38.78 2pbd s ILE 21 CO 0.02 0.50 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.36 2pbd s VAL 22 N 1.35 1.83 0.28 2.92 1.01 -0.07 -0.68 120.40 127.04 2pbd s VAL 22 Ca 0.05 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 2pbd s VAL 22 Cb -0.13 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.48 2pbd s VAL 22 CO -0.09 0.50 1.15 -0.83 0.00 0.00 0.00 175.10 175.83 2pbd s GLY 23 N 1.27 3.01 0.00 4.51 0.00 0.09 -0.10 107.32 116.10 2pbd s GLY 23 Ca 0.02 0.97 0.01 0.00 0.00 0.00 0.00 44.72 45.73 2pbd s GLY 23 CO -0.10 1.62 0.30 1.58 0.00 0.00 0.00 173.10 176.50 2pbd n TYR 24 N 1.29 0.00 -4.21 1.90 0.18 -0.17 -2.89 117.16 113.25 2pbd n TYR 24 Ca -0.00 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.61 2pbd n TYR 24 Cb 0.44 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.29 2pbd n TYR 24 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2pbd s LYS 25 N -0.62 0.93 0.00 -3.48 1.02 -1.13 -4.82 119.74 111.65 2pbd s LYS 25 Ca 0.01 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.82 2pbd s LYS 25 Cb 0.01 -0.75 0.00 0.00 -0.52 0.00 0.00 37.83 36.57 2pbd s LYS 25 CO 0.03 0.14 0.00 -3.47 -0.92 0.00 0.00 175.35 171.13 2pbd n ASP 26 N 0.62 0.00 -3.92 2.83 2.03 -1.26 -4.44 116.55 112.42 2pbd n ASP 26 Ca -0.16 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.85 2pbd n ASP 26 Cb 0.57 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.83 2pbd n ASP 26 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2pbd s SER 27 N 0.00 4.29 -0.51 1.67 0.01 -1.26 -5.07 113.70 112.83 2pbd s SER 27 Ca 0.00 -2.70 -0.29 0.00 1.31 0.00 0.00 55.95 54.28 2pbd s SER 27 Cb 0.00 -1.50 0.02 0.00 0.21 0.00 0.00 66.02 64.75 2pbd s SER 27 CO 0.00 -0.28 1.25 -2.16 0.41 0.00 0.00 173.24 172.47 2pbd s PRO 28 N 0.16 3.56 0.00 12.44 0.04 -1.26 -4.13 135.00 145.81 2pbd s PRO 28 Ca 0.15 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2pbd s PRO 28 Cb -0.24 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2pbd s PRO 28 CO -0.03 -1.61 0.00 -1.13 0.04 0.00 0.00 177.00 174.27 2pbd n SER 29 N 8.52 0.00 -4.62 6.66 3.41 -1.14 -4.98 113.62 121.47 2pbd n SER 29 Ca 0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.30 2pbd n SER 29 Cb 0.49 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 2pbd n SER 29 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2pbd s VAL 30 N -2.00 4.00 0.06 -3.33 1.01 -1.26 -0.74 120.40 118.14 2pbd s VAL 30 Ca 0.00 1.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.96 2pbd s VAL 30 Cb 0.00 -4.12 -0.31 0.00 0.00 0.00 0.00 36.38 31.95 2pbd s VAL 30 CO 0.00 -0.56 1.08 -0.50 0.00 0.00 0.00 175.10 175.13 2pbd h TRP 31 N 10.00 0.79 -2.04 5.22 6.55 -1.26 -3.48 115.95 131.73 2pbd h TRP 31 Ca -0.28 -0.56 -0.05 0.00 0.95 0.00 0.00 58.89 58.96 2pbd h TRP 31 Cb 1.11 -0.04 -0.19 0.00 -0.86 0.00 0.00 29.16 29.18 2pbd h TRP 31 CO 0.92 1.43 0.22 0.00 -1.05 0.00 0.00 178.44 179.95 2pbd s ALA 32 N -2.70 -1.77 0.19 1.49 0.00 -1.05 -4.79 121.76 113.12 2pbd s ALA 32 Ca -0.07 1.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 2pbd s ALA 32 Cb 0.06 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.25 2pbd s ALA 32 CO 0.92 -0.40 0.62 0.00 0.00 0.00 0.00 175.76 176.90 2pbd s ALA 33 N -1.38 -1.44 0.01 0.00 0.00 -1.26 -1.01 121.76 116.68 2pbd s ALA 33 Ca -0.09 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 2pbd s ALA 33 Cb -0.00 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.93 2pbd s ALA 33 CO 0.08 -0.84 1.54 0.08 0.00 0.00 0.00 175.76 176.62 2pbd s VAL 34 N -3.80 3.47 0.39 0.00 1.01 -0.81 -4.94 120.40 115.73 2pbd s VAL 34 Ca 0.04 0.81 -0.27 0.00 0.00 0.00 0.00 61.98 62.56 2pbd s VAL 34 Cb -0.02 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 2pbd s VAL 34 CO -0.07 -0.02 1.46 -2.65 0.00 0.00 0.00 175.10 173.81 2pbd n PRO 35 N 5.91 2.52 -0.95 2.72 -0.02 -1.26 -3.02 135.00 140.90 2pbd n PRO 35 Ca 0.15 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2pbd n PRO 35 Cb 0.42 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 2pbd n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pbd n GLY 36 N 0.51 0.52 0.00 -1.23 0.00 -1.26 -4.98 105.19 98.75 2pbd n GLY 36 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2pbd n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pbd n LYS 37 N -2.01 3.38 -0.13 1.61 4.76 -1.17 -5.08 118.16 119.52 2pbd n LYS 37 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 2pbd n LYS 37 Cb 0.08 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.17 2pbd n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2pbd n THR 38 N 0.00 1.40 0.24 -0.18 -1.04 -1.26 -4.58 114.28 108.86 2pbd n THR 38 Ca 0.00 -0.39 0.08 0.00 -2.04 0.00 0.00 64.05 61.70 2pbd n THR 38 Cb 0.00 -1.74 0.60 0.00 -1.82 0.00 0.00 70.33 67.37 2pbd n THR 38 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2pbd h PHE 39 N -0.72 0.00 -0.26 -1.42 0.04 -1.89 -1.60 116.94 111.09 2pbd h PHE 39 Ca -0.63 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.22 2pbd h PHE 39 Cb 1.63 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.77 2pbd h PHE 39 CO -0.06 0.14 0.38 -0.24 -0.60 0.00 0.00 178.31 177.93 2pbd h VAL 40 N 0.00 0.28 -0.71 -0.55 3.04 -1.81 -1.40 116.25 115.10 2pbd h VAL 40 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2pbd h VAL 40 Cb 0.28 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2pbd h VAL 40 CO 0.02 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.17 2pbd n ASN 41 N -3.48 4.37 -4.74 3.17 5.03 -0.60 -4.97 115.26 114.04 2pbd n ASN 41 Ca 0.04 -2.21 -0.42 0.00 0.87 0.00 0.00 54.58 52.86 2pbd n ASN 41 Cb 0.51 -0.54 -0.01 0.00 -1.02 0.00 0.00 39.78 38.72 2pbd n ASN 41 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2pbd n ILE 42 N 1.44 1.62 -4.00 2.41 5.41 -0.53 -4.28 119.36 121.44 2pbd n ILE 42 Ca 0.25 -0.41 -0.21 0.00 1.00 0.00 0.00 62.75 63.38 2pbd n ILE 42 Cb 0.76 -1.82 -0.04 0.00 -0.71 0.00 0.00 39.64 37.83 2pbd n ILE 42 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2pbd s THR 43 N -0.70 4.38 0.43 1.39 -4.23 -1.26 -4.87 115.64 110.79 2pbd s THR 43 Ca 0.58 -1.31 0.10 0.00 -1.18 0.00 0.00 61.69 59.89 2pbd s THR 43 Cb -0.52 -3.43 0.29 0.00 1.34 0.00 0.00 72.50 70.17 2pbd s THR 43 CO 0.58 -0.30 2.04 -0.65 -0.54 0.00 0.00 174.62 175.75 2pbd h PRO 44 N 1.36 0.43 -0.74 3.99 0.11 -1.97 -1.25 132.00 133.92 2pbd h PRO 44 Ca -0.48 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2pbd h PRO 44 Cb 1.24 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2pbd h PRO 44 CO 0.60 0.28 0.21 0.00 -0.21 0.00 0.00 178.00 178.88 2pbd h ALA 45 N 1.76 0.97 -0.36 -0.75 0.00 -1.99 -0.16 119.26 118.73 2pbd h ALA 45 Ca 0.18 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2pbd h ALA 45 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2pbd h ALA 45 CO -0.04 0.67 -0.30 0.93 0.00 0.00 0.00 179.25 180.51 2pbd h GLU 46 N 1.11 0.78 -0.90 0.00 5.08 -1.65 -2.17 114.58 116.83 2pbd h GLU 46 Ca 0.24 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2pbd h GLU 46 Cb 0.34 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2pbd h GLU 46 CO -0.00 0.98 0.55 0.28 -1.00 0.00 0.00 179.01 179.81 2pbd h VAL 47 N 0.66 1.25 -0.96 3.13 2.07 -1.01 -2.22 116.25 119.17 2pbd h VAL 47 Ca 0.08 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2pbd h VAL 47 Cb 0.83 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2pbd h VAL 47 CO 0.07 0.26 0.63 1.23 0.02 0.00 0.00 177.57 179.78 2pbd h GLY 48 N 1.25 1.37 1.02 2.17 0.00 -0.54 -1.13 103.07 107.20 2pbd h GLY 48 Ca 0.32 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 2pbd h GLY 48 CO -0.06 0.45 -0.19 -2.08 0.00 0.00 0.00 176.54 174.66 2pbd h VAL 49 N 1.26 1.28 -0.61 4.60 2.07 -1.15 0.05 116.25 123.75 2pbd h VAL 49 Ca 0.37 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.58 2pbd h VAL 49 Cb -0.08 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2pbd h VAL 49 CO -0.10 0.44 0.38 -0.07 0.02 0.00 0.00 177.57 178.25 2pbd h LEU 50 N 0.63 0.63 -1.96 2.57 3.38 -0.69 -3.15 115.31 116.72 2pbd h LEU 50 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pbd h LEU 50 Cb 0.75 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2pbd h LEU 50 CO 0.06 0.44 0.00 1.33 0.09 0.00 0.00 178.44 180.36 2pbd n VAL 51 N -4.72 0.09 -1.49 1.22 0.24 -0.52 -4.94 118.33 108.21 2pbd n VAL 51 Ca 0.05 -0.54 -0.29 0.00 -2.04 0.00 0.00 64.34 61.52 2pbd n VAL 51 Cb 0.07 1.39 0.12 0.00 -1.47 0.00 0.00 33.84 33.95 2pbd n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2pbd s GLY 52 N -1.82 1.60 0.43 7.63 0.00 -0.00 -4.96 107.32 110.21 2pbd s GLY 52 Ca 0.28 -0.34 0.24 0.00 0.00 0.00 0.00 44.72 44.90 2pbd s GLY 52 CO 0.29 0.16 1.77 0.07 0.00 0.00 0.00 173.10 175.39 2pbd h LYS 53 N -1.36 0.00 -6.67 2.90 2.10 -1.91 -3.41 116.57 108.22 2pbd h LYS 53 Ca -0.49 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.60 2pbd h LYS 53 Cb 1.30 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.56 2pbd h LYS 53 CO 0.60 0.22 0.92 0.34 -2.00 0.00 0.00 179.45 179.53 2pbd s ASP 54 N -6.18 6.66 -0.19 7.07 -1.08 -1.26 -4.86 116.67 116.83 2pbd s ASP 54 Ca 0.02 0.54 0.16 0.00 -0.52 0.00 0.00 52.55 52.75 2pbd s ASP 54 Cb 0.09 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.58 2pbd s ASP 54 CO 0.64 -1.22 1.47 0.54 0.52 0.00 0.00 175.17 177.13 2pbd n ARG 55 N 7.74 3.17 0.00 4.34 5.12 -1.26 -4.60 116.66 131.18 2pbd n ARG 55 Ca 0.12 -2.90 0.00 0.00 -1.93 0.00 0.00 57.85 53.14 2pbd n ARG 55 Cb 0.49 -1.91 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 2pbd n ARG 55 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2pbd n SER 56 N -0.38 3.70 0.25 0.55 3.41 -1.26 -4.80 113.62 115.10 2pbd n SER 56 Ca 0.23 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.92 2pbd n SER 56 Cb 0.95 0.04 0.63 0.00 -0.26 0.00 0.00 64.21 65.57 2pbd n SER 56 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pbd h SER 57 N 0.00 0.00 0.04 4.04 0.02 -1.99 -1.62 113.55 114.03 2pbd h SER 57 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2pbd h SER 57 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2pbd h SER 57 CO 0.00 0.10 0.00 2.22 -1.14 0.00 0.00 176.83 178.01 2pbd n PHE 58 N -4.24 0.00 1.21 3.45 1.16 -1.26 -0.82 117.46 116.96 2pbd n PHE 58 Ca -0.03 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.68 2pbd n PHE 58 Cb 0.18 -0.06 0.27 0.00 -1.61 0.00 0.00 39.48 38.26 2pbd n PHE 58 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 2pbd n TYR 59 N -1.06 0.00 0.23 2.97 4.01 -0.61 -1.62 117.16 121.08 2pbd n TYR 59 Ca 0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.68 2pbd n TYR 59 Cb 0.05 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 38.96 2pbd n TYR 59 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2pbd h VAL 60 N 2.37 0.44 0.00 -0.72 2.07 -1.15 -3.42 116.25 115.85 2pbd h VAL 60 Ca 0.00 -0.46 -0.22 0.00 0.82 0.00 0.00 66.70 66.84 2pbd h VAL 60 Cb 0.65 0.62 -0.14 0.00 -1.52 0.00 0.00 31.29 30.89 2pbd h VAL 60 CO 0.00 0.07 -0.41 -3.20 0.02 0.00 0.00 177.57 174.05 2pbd n ASN 61 N -5.24 -2.39 -0.03 0.57 2.85 -1.26 -5.15 115.26 104.62 2pbd n ASN 61 Ca -0.10 -3.44 0.00 0.00 -0.11 0.00 0.00 54.58 50.92 2pbd n ASN 61 Cb 0.30 1.83 0.00 0.00 1.24 0.00 0.00 39.78 43.15 2pbd n ASN 61 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pbd n GLY 62 N 0.72 0.50 3.26 8.20 0.00 -0.64 -4.96 105.19 112.27 2pbd n GLY 62 Ca 0.06 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 2pbd n GLY 62 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2pbd s LEU 63 N 0.00 1.09 0.14 0.99 0.05 -0.81 -4.54 118.68 115.59 2pbd s LEU 63 Ca 0.00 -1.28 0.11 0.00 0.05 0.00 0.00 54.13 53.01 2pbd s LEU 63 Cb 0.00 0.61 -0.04 0.00 -2.05 0.00 0.00 46.19 44.71 2pbd s LEU 63 CO 0.00 -0.87 -0.26 0.42 -0.55 0.00 0.00 176.35 175.08 2pbd s THR 64 N -4.12 2.24 -0.14 5.48 -4.23 -1.26 -0.56 115.64 113.06 2pbd s THR 64 Ca 0.34 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2pbd s THR 64 Cb 0.06 -1.99 0.04 0.00 1.34 0.00 0.00 72.50 71.94 2pbd s THR 64 CO 0.10 0.06 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.44 2pbd s LEU 65 N -2.13 1.32 -1.33 4.79 1.43 -0.35 -4.73 118.68 117.67 2pbd s LEU 65 Ca 0.14 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2pbd s LEU 65 Cb -0.10 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.33 2pbd s LEU 65 CO 0.06 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.07 2pbd n GLY 66 N 4.95 -0.29 1.90 -3.19 0.00 -1.26 -1.22 105.19 106.07 2pbd n GLY 66 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2pbd n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pbd n GLY 67 N -0.81 2.15 3.67 -0.02 0.00 -1.26 -4.87 105.19 104.04 2pbd n GLY 67 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2pbd n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pbd s GLN 68 N -0.42 4.27 0.18 1.61 2.00 -0.36 -4.97 119.66 121.97 2pbd s GLN 68 Ca 0.00 1.54 -0.30 0.00 -2.00 0.00 0.00 55.36 54.59 2pbd s GLN 68 Cb 0.00 -3.68 -0.09 0.00 0.80 0.00 0.00 33.01 30.04 2pbd s GLN 68 CO 0.00 -0.62 1.38 0.15 -0.50 0.00 0.00 175.29 175.69 2pbd s LYS 69 N 3.14 4.33 0.06 1.67 1.02 -1.26 -1.21 119.74 127.49 2pbd s LYS 69 Ca 0.51 2.13 0.02 0.00 0.02 0.00 0.00 55.97 58.65 2pbd s LYS 69 Cb -0.19 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2pbd s LYS 69 CO 0.13 -0.36 -0.08 0.00 -0.92 0.00 0.00 175.35 174.11 2pbd s SER 71 N -1.91 5.70 -0.08 0.00 0.01 0.30 -1.93 113.70 115.80 2pbd s SER 71 Ca -0.05 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.16 2pbd s SER 71 Cb -0.07 -1.77 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 2pbd s SER 71 CO -0.00 0.35 1.00 -0.69 0.41 0.00 0.00 173.24 174.30 2pbd s VAL 72 N -0.70 4.81 -0.24 3.43 1.01 -1.26 -1.48 120.40 125.98 2pbd s VAL 72 Ca 0.12 2.04 -0.16 0.00 0.00 0.00 0.00 61.98 63.99 2pbd s VAL 72 Cb -0.12 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 2pbd s VAL 72 CO 0.02 0.05 -0.29 -0.38 0.00 0.00 0.00 175.10 174.50 2pbd n ILE 73 N 4.36 1.52 -4.48 2.22 5.41 0.73 -4.97 119.36 124.15 2pbd n ILE 73 Ca 0.08 -0.17 -0.21 0.00 1.00 0.00 0.00 62.75 63.45 2pbd n ILE 73 Cb 0.49 -2.06 -0.15 0.00 -0.71 0.00 0.00 39.64 37.22 2pbd n ILE 73 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2pbd s ARG 74 N -2.60 0.97 -0.28 0.38 0.52 -0.90 -4.98 118.95 112.06 2pbd s ARG 74 Ca -0.34 -0.38 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2pbd s ARG 74 Cb 0.10 -0.92 0.08 0.00 0.52 0.00 0.00 34.95 34.74 2pbd s ARG 74 CO 0.47 0.20 0.02 0.34 0.02 0.00 0.00 175.30 176.35 2pbd s ASP 75 N -0.10 4.10 -0.15 0.23 2.15 -1.26 -0.83 116.67 120.81 2pbd s ASP 75 Ca 0.02 -1.55 0.17 0.00 0.43 0.00 0.00 52.55 51.61 2pbd s ASP 75 Cb -0.06 -1.18 0.44 0.00 -0.30 0.00 0.00 42.92 41.82 2pbd s ASP 75 CO -0.00 -0.33 1.19 -1.20 -0.17 0.00 0.00 175.17 174.66 2pbd n SER 76 N 4.63 1.83 -0.03 -0.34 7.64 0.60 -4.91 113.62 123.04 2pbd n SER 76 Ca -0.05 -3.06 -0.03 0.00 1.01 0.00 0.00 58.87 56.74 2pbd n SER 76 Cb 0.43 -0.42 0.21 0.00 -1.01 0.00 0.00 64.21 63.41 2pbd n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2pbd h LEU 77 N 1.28 0.59 -2.49 -3.43 5.85 -1.59 -2.26 115.31 113.26 2pbd h LEU 77 Ca -0.05 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2pbd h LEU 77 Cb 1.40 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2pbd h LEU 77 CO 0.14 0.73 0.00 0.18 -0.34 0.00 0.00 178.44 179.15 2pbd n LEU 78 N -4.19 3.72 -4.66 2.25 4.77 -1.26 -4.30 117.00 113.33 2pbd n LEU 78 Ca 0.01 -1.87 -0.37 0.00 -0.03 0.00 0.00 56.01 53.75 2pbd n LEU 78 Cb 0.33 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 2pbd n LEU 78 CO 0.41 0.77 -0.04 -1.10 -1.33 0.00 0.00 177.39 176.11 2pbd s GLN 79 N -1.48 4.11 0.00 3.23 -0.21 -0.96 -4.98 119.66 119.38 2pbd s GLN 79 Ca 0.43 -0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.77 2pbd s GLN 79 Cb 0.25 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.71 2pbd s GLN 79 CO 0.25 -0.01 0.00 -0.25 -2.12 0.00 0.00 175.29 173.16 2pbd n ASP 80 N 4.45 0.00 0.00 5.90 9.92 -1.26 -0.81 116.55 134.75 2pbd n ASP 80 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 2pbd n ASP 80 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 2pbd n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pbd n GLY 81 N 0.12 1.21 0.99 0.44 0.00 -1.26 -4.81 105.19 101.87 2pbd n GLY 81 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2pbd n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pbd n GLU 82 N -2.00 0.01 -4.15 1.61 1.02 -0.70 -5.05 120.64 111.38 2pbd n GLU 82 Ca 0.00 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 2pbd n GLU 82 Cb 0.00 -0.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.83 2pbd n GLU 82 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2pbd n PHE 83 N -3.12 -1.44 -3.97 -0.32 3.72 0.01 -4.93 117.46 107.42 2pbd n PHE 83 Ca -0.01 0.68 -0.09 0.00 -0.05 0.00 0.00 57.45 57.97 2pbd n PHE 83 Cb 0.42 -3.23 -0.10 0.00 -0.94 0.00 0.00 39.48 35.63 2pbd n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2pbd s SER 84 N -4.36 0.22 -0.02 4.37 1.04 -1.06 -1.42 113.70 112.48 2pbd s SER 84 Ca 0.02 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.95 2pbd s SER 84 Cb -0.01 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.27 2pbd s SER 84 CO 0.95 -0.39 -0.05 -0.32 0.98 0.00 0.00 173.24 174.41 2pbd s MET 85 N -1.96 0.59 -0.09 4.02 1.75 0.54 -0.29 119.30 123.86 2pbd s MET 85 Ca -0.11 -0.16 0.01 0.00 -1.25 0.00 0.00 55.69 54.18 2pbd s MET 85 Cb -0.06 -0.60 -0.03 0.00 2.84 0.00 0.00 34.83 36.99 2pbd s MET 85 CO -0.02 0.05 -0.10 -0.51 -0.65 0.00 0.00 175.02 173.78 2pbd s ASP 86 N 0.28 4.36 0.24 1.11 1.01 -0.01 -0.85 116.67 122.81 2pbd s ASP 86 Ca -0.03 -0.15 0.02 0.00 0.71 0.00 0.00 52.55 53.10 2pbd s ASP 86 Cb -0.07 -1.25 -0.05 0.00 1.01 0.00 0.00 42.92 42.56 2pbd s ASP 86 CO -0.00 0.29 0.06 -0.76 0.21 0.00 0.00 175.17 174.97 2pbd s LEU 87 N -0.40 1.84 -0.00 1.23 1.02 0.23 -0.19 118.68 122.41 2pbd s LEU 87 Ca 0.05 -1.31 0.02 0.00 0.02 0.00 0.00 54.13 52.91 2pbd s LEU 87 Cb -0.12 -0.05 -0.00 0.00 0.02 0.00 0.00 46.19 46.03 2pbd s LEU 87 CO 0.02 -0.66 -0.06 -0.60 0.02 0.00 0.00 176.35 175.07 2pbd s ARG 88 N -3.98 0.47 0.90 1.70 3.52 -0.55 -0.98 118.95 120.04 2pbd s ARG 88 Ca 0.33 -0.21 -0.11 0.00 -0.13 0.00 0.00 55.73 55.62 2pbd s ARG 88 Cb 0.07 -0.46 0.13 0.00 -1.56 0.00 0.00 34.95 33.14 2pbd s ARG 88 CO 0.11 0.13 1.11 0.95 -0.81 0.00 0.00 175.30 176.78 2pbd s THR 89 N -0.14 2.52 -0.05 4.11 -4.23 -0.18 -0.54 115.64 117.13 2pbd s THR 89 Ca 0.02 0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.74 2pbd s THR 89 Cb -0.02 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 2pbd s THR 89 CO -0.00 -0.22 -0.17 -0.54 -0.54 0.00 0.00 174.62 173.15 2pbd s LYS 90 N -4.75 2.51 0.37 3.99 1.02 -0.19 -4.49 119.74 118.20 2pbd s LYS 90 Ca 0.65 -0.75 0.04 0.00 0.02 0.00 0.00 55.97 55.92 2pbd s LYS 90 Cb -0.21 -2.32 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 2pbd s LYS 90 CO 0.58 0.56 0.08 -1.54 -0.92 0.00 0.00 175.35 174.11 2pbd s SER 91 N -0.57 2.65 0.18 2.83 1.04 -1.26 -4.64 113.70 113.93 2pbd s SER 91 Ca 0.08 -1.51 0.09 0.00 0.48 0.00 0.00 55.95 55.09 2pbd s SER 91 Cb -0.11 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2pbd s SER 91 CO 0.01 -0.74 -0.09 0.42 0.98 0.00 0.00 173.24 173.81 2pbd s THR 92 N -3.23 3.20 -0.15 2.02 -4.23 -1.26 -4.74 115.64 107.25 2pbd s THR 92 Ca 0.30 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2pbd s THR 92 Cb 0.06 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2pbd s THR 92 CO 0.14 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2pbd n GLY 93 N 0.03 0.48 2.29 3.99 0.00 -1.26 -2.53 105.19 108.19 2pbd n GLY 93 Ca -0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 2pbd n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pbd n GLY 94 N -2.03 0.71 3.71 -0.02 0.00 -1.26 -5.02 105.19 101.29 2pbd n GLY 94 Ca -0.01 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 2pbd n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pbd s ALA 95 N -2.02 2.05 0.61 4.61 0.00 -1.05 -4.93 121.76 121.02 2pbd s ALA 95 Ca 0.00 0.92 -0.19 0.00 0.00 0.00 0.00 51.96 52.68 2pbd s ALA 95 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2pbd s ALA 95 CO 0.00 -2.00 1.30 -2.14 0.00 0.00 0.00 175.76 172.92 2pbd s PRO 96 N -3.92 2.80 0.30 0.00 0.02 -1.26 -4.75 135.00 128.20 2pbd s PRO 96 Ca 0.75 2.07 0.10 0.00 0.02 0.00 0.00 61.00 63.94 2pbd s PRO 96 Cb -0.30 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.18 2pbd s PRO 96 CO 0.46 -1.40 -0.13 0.95 -0.33 0.00 0.00 177.00 176.55 2pbd s THR 97 N -1.40 2.23 0.01 0.99 -4.23 -1.26 -4.85 115.64 107.13 2pbd s THR 97 Ca 0.78 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 2pbd s THR 97 Cb -0.37 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 2pbd s THR 97 CO 0.41 -0.32 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.76 2pbd s PHE 98 N -2.64 0.44 0.31 3.99 0.08 -1.26 -4.72 117.98 114.18 2pbd s PHE 98 Ca 0.31 -0.24 -0.27 0.00 0.12 0.00 0.00 56.93 56.84 2pbd s PHE 98 Cb -0.00 -0.28 -0.09 0.00 -0.57 0.00 0.00 43.02 42.07 2pbd s PHE 98 CO 0.15 -0.05 0.98 -0.80 -0.10 0.00 0.00 175.22 175.40 2pbd s ASN 99 N -0.68 7.33 -0.01 1.36 -0.87 -1.26 -1.01 114.94 119.80 2pbd s ASN 99 Ca -0.04 1.94 0.04 0.00 -1.57 0.00 0.00 52.86 53.24 2pbd s ASN 99 Cb -0.05 -2.59 -0.01 0.00 -0.02 0.00 0.00 41.25 38.58 2pbd s ASN 99 CO -0.00 -0.08 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.62 2pbd s VAL 100 N -1.46 1.07 -0.03 1.60 1.01 -0.15 -0.79 120.40 121.66 2pbd s VAL 100 Ca 0.48 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.94 2pbd s VAL 100 Cb -0.22 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 2pbd s VAL 100 CO 0.28 0.30 -0.20 -0.89 0.00 0.00 0.00 175.10 174.60 2pbd s THR 101 N -0.32 1.62 -0.12 3.92 2.01 -0.60 -0.60 115.64 121.55 2pbd s THR 101 Ca 0.05 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.21 2pbd s THR 101 Cb -0.05 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 2pbd s THR 101 CO -0.01 0.46 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.54 2pbd s VAL 102 N -0.29 2.86 0.24 3.82 1.01 -0.03 -1.37 120.40 126.63 2pbd s VAL 102 Ca 0.03 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.39 2pbd s VAL 102 Cb -0.10 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 2pbd s VAL 102 CO 0.01 0.53 -0.20 0.42 0.00 0.00 0.00 175.10 175.86 2pbd s THR 103 N 0.31 2.28 -0.14 3.92 -4.23 -0.18 -0.34 115.64 117.26 2pbd s THR 103 Ca -0.12 -2.24 0.02 0.00 -1.18 0.00 0.00 61.69 58.17 2pbd s THR 103 Cb -0.16 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.52 2pbd s THR 103 CO 0.06 -0.35 -0.19 -0.75 -0.54 0.00 0.00 174.62 172.85 2pbd s LYS 104 N -3.25 2.73 0.00 3.99 2.20 -0.50 -0.81 119.74 124.10 2pbd s LYS 104 Ca 0.25 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 2pbd s LYS 104 Cb -0.05 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.98 2pbd s LYS 104 CO 0.12 -0.10 0.00 0.25 -0.36 0.00 0.00 175.35 175.26 2pbd n THR 105 N 4.31 0.00 0.17 3.43 -2.24 0.29 -4.87 114.28 115.37 2pbd n THR 105 Ca -0.20 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.60 2pbd n THR 105 Cb 0.51 -0.70 0.30 0.00 -2.10 0.00 0.00 70.33 68.34 2pbd n THR 105 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2pbd h ASP 106 N 0.00 0.00 0.00 3.42 3.58 -1.84 -3.36 116.42 118.22 2pbd h ASP 106 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2pbd h ASP 106 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2pbd h ASP 106 CO 0.00 0.45 -0.38 0.29 -2.88 0.00 0.00 179.24 176.72 2pbd n LYS 107 N -3.98 3.13 -4.29 0.28 5.02 -0.50 -4.83 118.16 113.00 2pbd n LYS 107 Ca -0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 2pbd n LYS 107 Cb 0.48 -0.62 -0.10 0.00 -0.02 0.00 0.00 35.03 34.77 2pbd n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2pbd s THR 108 N -1.05 1.36 -0.13 -0.18 -4.23 -1.25 -1.00 115.64 109.17 2pbd s THR 108 Ca 0.00 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.36 2pbd s THR 108 Cb 0.00 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 2pbd s THR 108 CO 0.00 -0.67 -0.01 -0.76 -0.54 0.00 0.00 174.62 172.64 2pbd s LEU 109 N -3.23 3.45 -0.20 4.79 1.43 0.86 -0.55 118.68 125.23 2pbd s LEU 109 Ca 0.19 0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2pbd s LEU 109 Cb 0.02 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2pbd s LEU 109 CO 0.03 0.26 0.04 -0.69 0.23 0.00 0.00 176.35 176.22 2pbd s VAL 110 N -0.15 4.40 -0.03 -1.59 1.01 0.01 -0.89 120.40 123.17 2pbd s VAL 110 Ca 0.04 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.94 2pbd s VAL 110 Cb -0.13 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 2pbd s VAL 110 CO 0.02 0.42 -0.26 -0.76 0.00 0.00 0.00 175.10 174.52 2pbd s LEU 111 N 0.86 2.05 -0.00 3.92 1.02 -0.16 -1.01 118.68 125.36 2pbd s LEU 111 Ca 0.03 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.71 2pbd s LEU 111 Cb -0.14 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.74 2pbd s LEU 111 CO 0.02 0.30 -0.01 -0.76 0.02 0.00 0.00 176.35 175.93 2pbd s LEU 112 N -0.53 1.97 -0.11 1.79 1.43 -0.47 -1.26 118.68 121.50 2pbd s LEU 112 Ca 0.08 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2pbd s LEU 112 Cb -0.11 -0.03 0.01 0.00 0.03 0.00 0.00 46.19 46.09 2pbd s LEU 112 CO -0.00 0.00 -0.19 -0.32 0.23 0.00 0.00 176.35 176.08 2pbd s MET 113 N 0.02 2.56 0.70 1.70 -2.45 -0.43 -1.55 119.30 119.84 2pbd s MET 113 Ca -0.00 -0.69 -0.12 0.00 -1.25 0.00 0.00 55.69 53.62 2pbd s MET 113 Cb -0.01 -2.08 0.02 0.00 1.25 0.00 0.00 34.83 34.01 2pbd s MET 113 CO -0.00 0.01 1.08 0.20 1.05 0.00 0.00 175.02 177.36 2pbd s GLY 114 N 0.77 1.86 0.99 2.11 0.00 0.03 -0.38 107.32 112.71 2pbd s GLY 114 Ca -0.10 0.31 -0.12 0.00 0.00 0.00 0.00 44.72 44.80 2pbd s GLY 114 CO 0.01 0.64 1.09 0.54 0.00 0.00 0.00 173.10 175.39 2pbd s LYS 115 N -4.61 0.46 0.22 2.90 1.02 -0.03 -4.34 119.74 115.36 2pbd s LYS 115 Ca 0.62 0.52 -0.32 0.00 0.02 0.00 0.00 55.97 56.82 2pbd s LYS 115 Cb -0.17 -1.74 -0.13 0.00 -0.52 0.00 0.00 37.83 35.27 2pbd s LYS 115 CO 0.49 -2.71 1.47 -1.91 -0.92 0.00 0.00 175.35 171.77 2pbd n GLU 116 N -4.16 2.10 -0.18 1.68 2.13 -1.26 -2.08 120.64 118.87 2pbd n GLU 116 Ca 0.05 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.62 2pbd n GLU 116 Cb 0.57 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.84 2pbd n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pbd n GLY 117 N 2.52 2.21 3.69 8.31 0.00 -1.26 -5.00 105.19 115.65 2pbd n GLY 117 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2pbd n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pbd s VAL 118 N -3.02 4.57 0.41 1.61 1.01 -0.88 -4.98 120.40 119.10 2pbd s VAL 118 Ca 0.00 1.85 -0.26 0.00 0.00 0.00 0.00 61.98 63.57 2pbd s VAL 118 Cb 0.00 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 2pbd s VAL 118 CO 0.00 0.04 1.26 -2.28 0.00 0.00 0.00 175.10 174.12 2pbd s HIS 119 N 1.80 2.89 0.55 5.22 2.46 -1.26 -4.63 115.29 122.32 2pbd s HIS 119 Ca 0.52 1.46 0.25 0.00 0.47 0.00 0.00 55.06 57.77 2pbd s HIS 119 Cb -0.22 -3.58 1.48 0.00 -0.13 0.00 0.00 32.58 30.13 2pbd s HIS 119 CO 0.22 -1.84 2.05 0.78 -2.47 0.00 0.00 174.74 173.48 2pbd h GLY 120 N 2.63 0.00 1.06 1.59 0.00 -1.95 -2.10 103.07 104.31 2pbd h GLY 120 Ca -0.49 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 2pbd h GLY 120 CO 0.62 0.00 0.10 -1.33 0.00 0.00 0.00 176.54 175.94 2pbd h GLY 121 N 0.00 1.17 1.10 4.60 0.00 -1.99 -0.10 103.07 107.85 2pbd h GLY 121 Ca 0.15 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 46.61 2pbd h GLY 121 CO -0.00 0.73 0.07 -2.00 0.00 0.00 0.00 176.54 175.33 2pbd h LEU 122 N 1.01 1.05 -0.33 3.11 6.46 -1.76 -1.13 115.31 123.72 2pbd h LEU 122 Ca 0.20 -0.27 -0.18 0.00 -0.12 0.00 0.00 57.88 57.51 2pbd h LEU 122 Cb 0.44 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 2pbd h LEU 122 CO 0.01 1.06 -0.51 0.40 -0.62 0.00 0.00 178.44 178.79 2pbd h ILE 123 N 1.01 1.27 -0.23 4.05 2.04 -1.43 -1.94 117.51 122.29 2pbd h ILE 123 Ca 0.19 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 2pbd h ILE 123 Cb 0.48 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2pbd h ILE 123 CO 0.02 0.55 0.09 -1.13 0.00 0.00 0.00 178.15 177.69 2pbd h ASN 124 N 0.69 0.32 -0.53 1.72 -0.73 -0.94 -1.05 115.58 115.06 2pbd h ASN 124 Ca 0.03 -0.17 0.06 0.00 1.87 0.00 0.00 56.30 58.09 2pbd h ASN 124 Cb 1.11 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 39.57 2pbd h ASN 124 CO 0.12 0.40 0.25 0.50 -0.37 0.00 0.00 177.43 178.32 2pbd h LYS 125 N 0.22 0.46 -0.45 6.67 3.64 -1.09 0.14 116.57 126.15 2pbd h LYS 125 Ca 0.08 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2pbd h LYS 125 Cb 0.18 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2pbd h LYS 125 CO -0.01 0.30 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.21 2pbd h LYS 126 N 0.47 0.84 -0.50 1.90 3.64 -1.13 -1.01 116.57 120.78 2pbd h LYS 126 Ca 0.24 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 2pbd h LYS 126 Cb 0.19 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2pbd h LYS 126 CO -0.20 0.92 -0.18 0.00 -2.27 0.00 0.00 179.45 177.72 2pbd h TYR 128 N 0.87 1.09 -0.62 0.00 3.20 -0.56 -0.44 116.97 120.52 2pbd h TYR 128 Ca 0.12 -0.18 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 2pbd h TYR 128 Cb 0.76 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2pbd h TYR 128 CO 0.05 0.97 0.07 0.93 -1.64 0.00 0.00 178.16 178.54 2pbd h GLU 129 N 0.92 1.03 -0.31 1.82 5.08 -0.95 0.37 114.58 122.53 2pbd h GLU 129 Ca 0.16 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2pbd h GLU 129 Cb 0.55 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2pbd h GLU 129 CO 0.03 0.96 -0.02 1.98 -1.00 0.00 0.00 179.01 180.96 2pbd h MET 130 N 0.96 0.55 -0.62 2.33 4.05 -1.13 -1.23 114.93 119.83 2pbd h MET 130 Ca 0.19 -0.19 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2pbd h MET 130 Cb 0.45 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 2pbd h MET 130 CO 0.02 0.71 0.23 0.00 0.23 0.00 0.00 176.91 178.09 2pbd h ALA 131 N 0.83 1.23 -0.45 0.39 0.00 -0.93 -0.74 119.26 119.59 2pbd h ALA 131 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2pbd h ALA 131 Cb 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2pbd h ALA 131 CO 0.02 0.56 0.25 0.77 0.00 0.00 0.00 179.25 180.85 2pbd h SER 132 N 0.90 0.56 -0.37 0.00 0.02 -0.67 -0.06 113.55 113.93 2pbd h SER 132 Ca 0.21 -0.09 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2pbd h SER 132 Cb 0.21 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 2pbd h SER 132 CO -0.02 0.48 0.11 -0.74 -1.14 0.00 0.00 176.83 175.53 2pbd h HIS 133 N 0.59 0.20 -0.60 3.45 6.17 -0.76 -0.66 115.15 123.54 2pbd h HIS 133 Ca 0.16 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.22 2pbd h HIS 133 Cb 0.05 -0.03 -0.03 0.00 2.52 0.00 0.00 27.41 29.92 2pbd h HIS 133 CO -0.02 0.07 0.21 -0.07 0.71 0.00 0.00 177.93 178.83 2pbd h LEU 134 N 0.26 0.85 -0.77 0.26 3.38 -0.85 -1.78 115.31 116.66 2pbd h LEU 134 Ca 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2pbd h LEU 134 Cb 0.17 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2pbd h LEU 134 CO -0.19 0.81 0.45 0.03 0.09 0.00 0.00 178.44 179.64 2pbd h ARG 135 N 0.84 1.05 0.00 1.13 3.08 -0.76 0.48 114.38 120.21 2pbd h ARG 135 Ca 0.20 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2pbd h ARG 135 Cb 0.25 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 2pbd h ARG 135 CO -0.01 0.75 -0.08 0.00 -1.07 0.00 0.00 179.97 179.56 2pbd h ARG 136 N 1.05 0.00 -0.21 0.04 3.08 -0.76 -1.15 114.38 116.42 2pbd h ARG 136 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2pbd h ARG 136 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2pbd h ARG 136 CO -0.05 0.08 0.00 0.43 -1.07 0.00 0.00 179.97 179.36 2pbd n SER 137 N -3.96 1.60 -1.71 7.04 7.64 -0.59 -4.91 113.62 118.73 2pbd n SER 137 Ca -0.03 -1.79 -0.13 0.00 1.01 0.00 0.00 58.87 57.93 2pbd n SER 137 Cb 0.17 -0.14 0.01 0.00 -1.01 0.00 0.00 64.21 63.24 2pbd n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pbd n GLN 138 N 0.31 -2.03 0.00 1.43 3.00 -0.44 -5.05 117.38 114.60 2pbd n GLN 138 Ca 0.14 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 2pbd n GLN 138 Cb 0.30 -4.77 0.00 0.00 0.00 0.00 0.00 30.24 25.76 2pbd n GLN 138 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72