#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0p h ALA 2 N 0.00 1.41 -2.72 3.17 0.00 -1.96 -3.44 119.26 115.72 2p0p h ALA 2 Ca 0.00 -0.25 -0.53 0.00 0.00 0.00 0.00 54.91 54.14 2p0p h ALA 2 Cb 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 17.75 2p0p h ALA 2 CO 0.00 0.41 0.80 -1.12 0.00 0.00 0.00 179.25 179.34 2p0p s SER 3 N -6.86 6.61 0.00 0.00 0.01 -1.26 -3.36 113.70 108.84 2p0p s SER 3 Ca -0.05 2.68 0.00 0.00 1.31 0.00 0.00 55.95 59.89 2p0p s SER 3 Cb 0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2p0p s SER 3 CO 0.74 -0.75 0.00 1.33 0.41 0.00 0.00 173.24 174.98 2p0p n VAL 4 N 2.65 0.00 -1.96 3.43 0.24 -1.26 -5.02 118.33 116.40 2p0p n VAL 4 Ca 0.08 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.00 2p0p n VAL 4 Cb 0.40 1.48 0.02 0.00 -1.47 0.00 0.00 33.84 34.26 2p0p n VAL 4 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2p0p s GLU 5 N 0.00 3.37 0.00 7.34 8.01 -1.26 -4.95 118.70 131.21 2p0p s GLU 5 Ca 0.00 2.06 0.00 0.00 0.01 0.00 0.00 54.97 57.04 2p0p s GLU 5 Cb 0.00 -2.31 0.00 0.00 -4.31 0.00 0.00 34.13 27.51 2p0p s GLU 5 CO 0.00 -0.95 0.00 2.89 0.01 0.00 0.00 175.26 177.21 2p0p n ARG 6 N -0.83 2.50 -3.63 1.61 1.85 -1.26 -5.11 116.66 111.79 2p0p n ARG 6 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.80 2p0p n ARG 6 Cb 0.46 -0.40 -0.07 0.00 -1.05 0.00 0.00 32.46 31.40 2p0p n ARG 6 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2p0p s ASP 7 N -0.47 -0.65 0.56 2.89 -1.08 -1.26 -5.06 116.67 111.59 2p0p s ASP 7 Ca 0.00 1.12 0.34 0.00 -0.52 0.00 0.00 52.55 53.49 2p0p s ASP 7 Cb 0.00 1.11 1.59 0.00 -1.46 0.00 0.00 42.92 44.15 2p0p s ASP 7 CO 0.00 -0.32 2.08 -0.33 0.52 0.00 0.00 175.17 177.12 2p0p h GLU 8 N 4.60 0.00 -0.96 4.34 4.39 -2.02 -3.07 114.58 121.86 2p0p h GLU 8 Ca -0.28 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.55 2p0p h GLU 8 Cb 1.16 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.73 2p0p h GLU 8 CO 0.17 0.05 0.61 1.79 -1.16 0.00 0.00 179.01 180.48 2p0p h THR 9 N 0.00 0.89 -0.29 1.13 1.35 -1.98 -1.49 112.91 112.51 2p0p h THR 9 Ca -0.00 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2p0p h THR 9 Cb 0.38 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 2p0p h THR 9 CO 0.01 0.16 0.17 0.03 -0.25 0.00 0.00 175.52 175.63 2p0p h ARG 10 N 0.88 0.40 -0.39 4.72 -0.00 -1.97 0.15 114.38 118.18 2p0p h ARG 10 Ca 0.48 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.98 59.85 2p0p h ARG 10 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.45 2p0p h ARG 10 CO -0.25 0.33 -0.03 0.93 0.00 0.00 0.00 179.97 180.95 2p0p h GLU 11 N 0.36 0.71 -0.03 0.04 4.39 -1.59 -1.92 114.58 116.54 2p0p h GLU 11 Ca 0.10 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 2p0p h GLU 11 Cb 0.04 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2p0p h GLU 11 CO -0.02 0.82 0.02 1.25 -1.16 0.00 0.00 179.01 179.92 2p0p h HIS 12 N 0.52 0.03 -0.21 4.33 -0.00 -1.06 -2.35 115.15 116.42 2p0p h HIS 12 Ca 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 2p0p h HIS 12 Cb 0.52 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 2p0p h HIS 12 CO 0.04 0.05 0.02 0.00 -0.00 0.00 0.00 177.93 178.04 2p0p h ARG 13 N 0.00 0.36 -0.58 5.26 3.08 -0.60 -0.88 114.38 121.03 2p0p h ARG 13 Ca 0.01 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2p0p h ARG 13 Cb 0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2p0p h ARG 13 CO -0.00 0.53 0.27 0.97 -1.07 0.00 0.00 179.97 180.67 2p0p h ILE 14 N 0.14 1.21 -0.61 2.04 2.10 -1.38 -1.06 117.51 119.96 2p0p h ILE 14 Ca 0.06 -0.60 -0.04 0.00 1.08 0.00 0.00 64.86 65.37 2p0p h ILE 14 Cb 0.35 0.54 -0.03 0.00 -1.09 0.00 0.00 36.82 36.59 2p0p h ILE 14 CO 0.01 0.24 0.23 -0.08 -1.08 0.00 0.00 178.15 177.46 2p0p h GLU 15 N 0.79 0.89 -0.01 2.19 4.81 -1.21 -0.84 114.58 121.20 2p0p h GLU 15 Ca 0.20 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2p0p h GLU 15 Cb 0.13 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2p0p h GLU 15 CO -0.02 0.74 -0.60 0.25 -0.73 0.00 0.00 179.01 178.65 2p0p n THR 16 N -4.31 0.00 0.00 0.32 -2.24 -0.35 -2.94 114.28 104.76 2p0p n THR 16 Ca 0.05 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2p0p n THR 16 Cb 0.18 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2p0p n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2p0p n GLU 17 N -0.74 4.19 -0.03 -0.78 1.02 -0.43 -4.72 120.64 119.14 2p0p n GLU 17 Ca 0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.19 2p0p n GLU 17 Cb 0.39 -0.62 -0.03 0.00 -0.02 0.00 0.00 31.44 31.15 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2p0p n ILE 18 N -0.42 0.34 -1.16 -3.67 5.41 -0.35 -4.71 119.36 114.81 2p0p n ILE 18 Ca 0.00 -0.18 0.05 0.00 1.00 0.00 0.00 62.75 63.62 2p0p n ILE 18 Cb 0.01 -0.81 0.07 0.00 -0.71 0.00 0.00 39.64 38.20 2p0p n ILE 18 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2p0p n ILE 19 N -2.38 1.05 -0.33 1.39 -0.00 -1.05 -4.23 119.36 113.83 2p0p n ILE 19 Ca -0.09 -1.24 0.04 0.00 -0.00 0.00 0.00 62.75 61.46 2p0p n ILE 19 Cb 0.64 0.19 0.22 0.00 -0.00 0.00 0.00 39.64 40.69 2p0p n ILE 19 CO 0.00 0.00 0.00 1.62 -0.00 0.00 0.00 176.55 178.17 2p0p h VAL 20 N 2.23 1.07 0.00 7.28 3.04 -1.75 -2.14 116.25 125.99 2p0p h VAL 20 Ca 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2p0p h VAL 20 Cb 1.04 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2p0p h VAL 20 CO 0.00 0.20 -0.11 -0.67 -1.01 0.00 0.00 177.57 175.97 2p0p n ASP 21 N -4.49 0.73 -4.81 3.17 2.03 -1.26 -4.92 116.55 106.99 2p0p n ASP 21 Ca 0.14 0.48 -0.30 0.00 0.52 0.00 0.00 54.79 55.63 2p0p n ASP 21 Cb 0.20 -0.60 0.07 0.00 -0.72 0.00 0.00 41.12 40.07 2p0p n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p0p s ALA 22 N -3.10 2.46 0.00 -1.67 0.00 -0.81 -5.00 121.76 113.63 2p0p s ALA 22 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2p0p s ALA 22 Cb 0.13 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2p0p s ALA 22 CO 0.61 -1.49 0.00 0.39 0.00 0.00 0.00 175.76 175.27 2p0p n GLU 23 N -3.29 0.36 -4.31 0.00 1.02 -1.26 -4.99 120.64 108.18 2p0p n GLU 23 Ca 0.07 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.01 2p0p n GLU 23 Cb 0.55 -0.55 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 2p0p n GLU 23 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2p0p s ASP 24 N -1.33 2.50 0.55 1.62 2.15 -1.26 -5.03 116.67 115.87 2p0p s ASP 24 Ca 0.00 -0.86 0.25 0.00 0.43 0.00 0.00 52.55 52.38 2p0p s ASP 24 Cb 0.00 -0.13 1.46 0.00 -0.30 0.00 0.00 42.92 43.95 2p0p s ASP 24 CO 0.00 -0.07 2.04 0.07 -0.17 0.00 0.00 175.17 177.03 2p0p h LYS 25 N 3.28 0.00 -0.47 4.34 2.10 -1.96 -0.07 116.57 123.79 2p0p h LYS 25 Ca -0.41 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.15 2p0p h LYS 25 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.52 2p0p h LYS 25 CO 0.52 0.00 -0.05 0.93 -2.00 0.00 0.00 179.45 178.84 2p0p h GLU 26 N 0.00 0.87 -0.37 0.07 5.08 -1.95 0.71 114.58 119.00 2p0p h GLU 26 Ca 0.17 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 2p0p h GLU 26 Cb 0.76 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2p0p h GLU 26 CO -0.00 0.94 -0.28 0.93 -1.00 0.00 0.00 179.01 179.60 2p0p h GLU 27 N 0.72 0.78 -0.57 2.33 4.39 -1.38 -0.60 114.58 120.24 2p0p h GLU 27 Ca 0.13 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 59.39 2p0p h GLU 27 Cb 0.58 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2p0p h GLU 27 CO 0.03 0.96 -0.01 0.00 -1.16 0.00 0.00 179.01 178.84 2p0p h ARG 28 N 0.66 1.00 -0.71 2.33 3.08 -1.03 -0.26 114.38 119.45 2p0p h ARG 28 Ca 0.08 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 2p0p h ARG 28 Cb 0.81 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 2p0p h ARG 28 CO 0.07 0.99 0.20 0.00 -1.07 0.00 0.00 179.97 180.15 2p0p h ALA 29 N 1.06 1.00 -0.63 0.04 0.00 -0.56 -1.80 119.26 118.37 2p0p h ALA 29 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2p0p h ALA 29 Cb 0.55 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2p0p h ALA 29 CO 0.03 0.66 0.24 0.52 0.00 0.00 0.00 179.25 180.70 2p0p h MET 30 N 1.07 0.95 -0.01 0.00 2.86 -0.76 0.50 114.93 119.53 2p0p h MET 30 Ca 0.23 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2p0p h MET 30 Cb 0.34 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2p0p h MET 30 CO -0.00 0.81 -0.15 0.78 1.06 0.00 0.00 176.91 179.40 2p0p h GLY 31 N 0.88 -0.18 0.27 8.32 0.00 -0.65 0.15 103.07 111.87 2p0p h GLY 31 Ca 0.21 0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.76 2p0p h GLY 31 CO -0.02 -0.15 -0.30 1.49 0.00 0.00 0.00 176.54 177.57 2p0p h TRP 32 N -0.24 -0.81 -0.51 5.60 4.06 -1.25 -2.87 115.95 119.92 2p0p h TRP 32 Ca 0.06 0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.09 2p0p h TRP 32 Cb 0.32 0.37 -0.05 0.00 -1.00 0.00 0.00 29.16 28.79 2p0p h TRP 32 CO -0.21 -0.38 0.23 -0.92 -3.56 0.00 0.00 178.44 173.59 2p0p h TYR 33 N -0.41 0.41 0.25 0.49 5.03 -0.32 -1.06 116.97 121.36 2p0p h TYR 33 Ca 0.08 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 2p0p h TYR 33 Cb 0.53 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.70 2p0p h TYR 33 CO -0.35 0.17 -0.12 1.88 -1.32 0.00 0.00 178.16 178.42 2p0p h TYR 34 N 0.44 -0.31 -0.26 -3.82 0.05 -0.53 0.79 116.97 113.32 2p0p h TYR 34 Ca 0.24 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.85 2p0p h TYR 34 Cb 0.20 0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 2p0p h TYR 34 CO -0.13 -0.12 -0.46 0.10 -1.05 0.00 0.00 178.16 176.50 2p0p h TYR 35 N -0.43 0.84 0.12 4.88 -0.00 -1.42 -2.53 116.97 118.42 2p0p h TYR 35 Ca -0.03 -0.27 -0.01 0.00 -0.00 0.00 0.00 58.73 58.42 2p0p h TYR 35 Cb 0.33 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 36.89 2p0p h TYR 35 CO -0.03 1.02 -0.06 1.25 -0.00 0.00 0.00 178.16 180.34 2p0p h LEU 36 N 0.55 -0.14 -1.00 0.10 5.85 -1.01 -1.09 115.31 118.56 2p0p h LEU 36 Ca 0.03 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2p0p h LEU 36 Cb 1.01 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 2p0p h LEU 36 CO 0.10 0.18 0.47 -0.78 -0.34 0.00 0.00 178.44 178.06 2p0p h ASP 37 N -0.46 1.04 0.37 1.25 3.58 -0.90 -0.06 116.42 121.24 2p0p h ASP 37 Ca -0.02 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.30 2p0p h ASP 37 Cb 0.37 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2p0p h ASP 37 CO 0.03 0.83 -0.23 -0.78 -2.88 0.00 0.00 179.24 176.21 2p0p h ASP 38 N 1.17 0.00 0.14 2.28 3.58 -1.36 -3.21 116.42 119.03 2p0p h ASP 38 Ca 0.30 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.50 2p0p h ASP 38 Cb 0.01 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.07 2p0p h ASP 38 CO -0.05 0.23 -1.19 0.74 -2.88 0.00 0.00 179.24 176.09 2p0p h THR 39 N 0.00 1.24 -2.00 2.25 2.02 0.17 -3.46 112.91 113.14 2p0p h THR 39 Ca -0.00 -2.49 -0.62 0.00 0.77 0.00 0.00 66.41 64.07 2p0p h THR 39 Cb 0.47 2.94 0.02 0.00 -1.74 0.00 0.00 68.15 69.84 2p0p h THR 39 CO 0.03 0.72 1.12 0.18 0.37 0.00 0.00 175.52 177.94 2p0p n LEU 40 N -3.98 3.41 -1.63 2.58 4.32 -0.18 -4.54 117.00 116.99 2p0p n LEU 40 Ca -0.20 0.95 -0.02 0.00 -0.02 0.00 0.00 56.01 56.72 2p0p n LEU 40 Cb 0.89 -1.37 -0.03 0.00 -1.62 0.00 0.00 43.42 41.30 2p0p n LEU 40 CO 0.46 -0.08 1.03 -1.84 -1.22 0.00 0.00 177.39 175.75 2p0p n GLU 41 N 6.73 1.09 -1.27 3.23 0.28 -1.26 -4.97 120.64 124.47 2p0p n GLU 41 Ca 0.23 -0.17 -0.35 0.00 -0.16 0.00 0.00 57.16 56.72 2p0p n GLU 41 Cb 0.29 -1.20 0.10 0.00 1.43 0.00 0.00 31.44 32.07 2p0p n GLU 41 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2p0p n PHE 42 N 1.72 1.06 -1.48 -1.84 1.16 -1.26 -4.55 117.46 112.26 2p0p n PHE 42 Ca 0.07 0.40 -0.32 0.00 -1.87 0.00 0.00 57.45 55.73 2p0p n PHE 42 Cb 0.53 -2.11 0.07 0.00 -1.61 0.00 0.00 39.48 36.36 2p0p n PHE 42 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2p0p s PRO 43 N -3.71 2.51 0.00 3.97 0.04 -1.26 -5.02 135.00 131.52 2p0p s PRO 43 Ca 0.74 1.25 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2p0p s PRO 43 Cb -0.32 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2p0p s PRO 43 CO 0.50 -1.46 0.00 1.97 0.04 0.00 0.00 177.00 178.05 2p0p n PHE 44 N -3.05 -0.23 -4.32 0.56 -1.74 -0.38 -5.00 117.46 103.29 2p0p n PHE 44 Ca 0.10 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.82 2p0p n PHE 44 Cb 0.53 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.42 2p0p n PHE 44 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2p0p s MET 45 N -0.77 1.44 0.17 3.97 0.23 -1.24 -0.28 119.30 122.81 2p0p s MET 45 Ca 0.00 -1.78 -0.16 0.00 -1.03 0.00 0.00 55.69 52.72 2p0p s MET 45 Cb 0.00 -0.26 0.06 0.00 -1.53 0.00 0.00 34.83 33.10 2p0p s MET 45 CO 0.00 -0.31 0.77 0.41 -2.03 0.00 0.00 175.02 173.86 2p0p n GLY 46 N -0.48 0.83 3.18 3.16 0.00 -0.03 -1.25 105.19 110.60 2p0p n GLY 46 Ca 0.00 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 2p0p n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2p0p s LYS 47 N -2.04 3.02 -0.47 1.61 2.47 0.31 -0.98 119.74 123.66 2p0p s LYS 47 Ca 0.17 -0.83 -0.29 0.00 -1.56 0.00 0.00 55.97 53.46 2p0p s LYS 47 Cb -0.02 -2.77 0.02 0.00 -1.46 0.00 0.00 37.83 33.60 2p0p s LYS 47 CO 0.05 -0.26 1.30 -0.46 0.16 0.00 0.00 175.35 176.14 2p0p s TRP 48 N 1.33 2.55 -0.05 4.03 -0.11 0.47 -1.10 118.94 126.07 2p0p s TRP 48 Ca 0.04 0.65 -0.05 0.00 1.22 0.00 0.00 56.10 57.96 2p0p s TRP 48 Cb -0.14 -4.39 -0.18 0.00 -1.50 0.00 0.00 33.47 27.26 2p0p s TRP 48 CO -0.09 -1.69 3.21 1.63 -4.62 0.00 0.00 176.95 175.39 2p0p n LYS 49 N 8.09 1.84 -1.62 5.86 4.76 -0.14 -1.00 118.16 135.95 2p0p n LYS 49 Ca 0.14 -0.95 -0.49 0.00 -2.87 0.00 0.00 58.31 54.14 2p0p n LYS 49 Cb 0.49 -1.82 -0.05 0.00 -1.84 0.00 0.00 35.03 31.81 2p0p n LYS 49 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2p0p n LYS 50 N 2.12 1.82 -1.86 1.97 4.81 -0.59 -4.71 118.16 121.72 2p0p n LYS 50 Ca 0.35 0.62 -0.42 0.00 -0.87 0.00 0.00 58.31 57.99 2p0p n LYS 50 Cb 0.80 -2.62 -0.03 0.00 0.02 0.00 0.00 35.03 33.20 2p0p n LYS 50 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2p0p s LYS 51 N 4.78 4.17 -0.02 1.64 1.02 -1.26 -0.52 119.74 129.55 2p0p s LYS 51 Ca 0.98 2.38 0.12 0.00 0.02 0.00 0.00 55.97 59.48 2p0p s LYS 51 Cb -0.72 -4.03 -0.19 0.00 -0.52 0.00 0.00 37.83 32.37 2p0p s LYS 51 CO 0.51 -0.88 0.30 -1.13 -0.92 0.00 0.00 175.35 173.22 2p0p n SER 52 N 7.18 2.00 -3.85 2.83 3.41 0.02 -4.90 113.62 120.31 2p0p n SER 52 Ca 0.18 -0.09 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 2p0p n SER 52 Cb 0.42 1.50 -0.07 0.00 -0.26 0.00 0.00 64.21 65.80 2p0p n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2p0p s ARG 53 N -2.78 0.83 0.63 4.33 3.00 -1.24 -4.99 118.95 118.73 2p0p s ARG 53 Ca -0.04 -0.91 0.42 0.00 0.00 0.00 0.00 55.73 55.21 2p0p s ARG 53 Cb 0.08 0.34 2.20 0.00 0.00 0.00 0.00 34.95 37.56 2p0p s ARG 53 CO 0.51 -0.26 2.27 0.87 0.00 0.00 0.00 175.30 178.69 2p0p h LYS 54 N 2.83 0.00 0.00 3.54 1.79 -1.96 -0.72 116.57 122.06 2p0p h LYS 54 Ca -0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2p0p h LYS 54 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2p0p h LYS 54 CO 0.55 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 179.17 2p0p n THR 55 N -3.03 0.00 -1.98 -0.16 -2.24 -1.26 -4.83 114.28 100.77 2p0p n THR 55 Ca -0.02 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 2p0p n THR 55 Cb 0.11 -0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 67.63 2p0p n THR 55 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2p0p n SER 56 N -0.83 -5.56 -4.72 3.42 7.64 -0.28 -5.00 113.62 108.29 2p0p n SER 56 Ca 0.05 0.24 -0.34 0.00 1.01 0.00 0.00 58.87 59.82 2p0p n SER 56 Cb 0.02 -4.70 0.09 0.00 -1.01 0.00 0.00 64.21 58.61 2p0p n SER 56 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2p0p s THR 57 N -2.87 2.33 -0.00 0.44 2.01 -1.23 -4.90 115.64 111.43 2p0p s THR 57 Ca 0.00 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.21 2p0p s THR 57 Cb 0.00 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 2p0p s THR 57 CO 0.00 -0.09 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.07 2p0p s ILE 58 N -1.97 1.15 -0.39 1.82 1.01 -1.26 -0.80 121.20 120.76 2p0p s ILE 58 Ca 0.74 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 2p0p s ILE 58 Cb -0.29 -0.97 0.06 0.00 0.01 0.00 0.00 42.46 41.27 2p0p s ILE 58 CO 0.45 0.28 0.22 -1.61 0.00 0.00 0.00 174.94 174.27 2p0p s GLU 59 N -0.47 2.64 -0.86 2.79 0.41 0.32 -4.87 118.70 118.67 2p0p s GLU 59 Ca 0.05 -1.33 -0.24 0.00 -0.41 0.00 0.00 54.97 53.04 2p0p s GLU 59 Cb -0.06 -3.71 0.06 0.00 -1.78 0.00 0.00 34.13 28.64 2p0p s GLU 59 CO -0.00 -0.85 1.28 -1.21 -0.49 0.00 0.00 175.26 173.99 2p0p s GLU 60 N 1.44 3.39 -0.30 1.61 2.02 -1.26 -1.54 118.70 124.06 2p0p s GLU 60 Ca 0.02 -0.86 -0.14 0.00 0.02 0.00 0.00 54.97 54.01 2p0p s GLU 60 Cb -0.22 -4.74 -0.03 0.00 0.10 0.00 0.00 34.13 29.24 2p0p s GLU 60 CO 0.03 -2.08 0.30 0.21 0.02 0.00 0.00 175.26 173.74 2p0p s LYS 61 N 4.82 3.80 0.16 1.61 2.20 -0.17 -4.93 119.74 127.24 2p0p s LYS 61 Ca 0.37 -0.28 -0.31 0.00 -0.36 0.00 0.00 55.97 55.40 2p0p s LYS 61 Cb -0.06 -3.72 -0.08 0.00 -1.51 0.00 0.00 37.83 32.46 2p0p s LYS 61 CO 0.01 -0.34 1.35 0.99 -0.36 0.00 0.00 175.35 177.01 2p0p s THR 62 N 1.92 3.22 0.02 3.43 2.01 -1.26 -0.39 115.64 124.58 2p0p s THR 62 Ca 0.11 0.94 0.01 0.00 0.31 0.00 0.00 61.69 63.05 2p0p s THR 62 Cb -0.16 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 2p0p s THR 62 CO 0.11 0.11 -0.04 0.68 -0.69 0.00 0.00 174.62 174.79 2p0p s VAL 63 N 0.56 0.20 -0.13 3.82 -7.23 -0.15 -1.66 120.40 115.82 2p0p s VAL 63 Ca 0.60 -0.68 -0.14 0.00 -1.81 0.00 0.00 61.98 59.96 2p0p s VAL 63 Cb -0.37 -0.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.24 2p0p s VAL 63 CO 0.35 -0.31 0.31 -0.70 -0.31 0.00 0.00 175.10 174.44 2p0p s GLU 64 N -1.04 4.13 -0.38 4.82 2.12 -0.44 -0.85 118.70 127.06 2p0p s GLU 64 Ca -0.10 0.15 -0.08 0.00 0.36 0.00 0.00 54.97 55.31 2p0p s GLU 64 Cb -0.07 -3.37 0.05 0.00 0.26 0.00 0.00 34.13 31.00 2p0p s GLU 64 CO -0.00 0.36 0.18 0.08 -0.54 0.00 0.00 175.26 175.33 2p0p s VAL 65 N 0.09 4.04 0.25 3.70 1.01 0.62 -0.64 120.40 129.47 2p0p s VAL 65 Ca 0.18 -1.23 0.09 0.00 0.00 0.00 0.00 61.98 61.02 2p0p s VAL 65 Cb -0.14 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2p0p s VAL 65 CO 0.06 -0.33 1.56 -0.07 0.00 0.00 0.00 175.10 176.32 2p0p h LEU 66 N 8.31 0.06 0.00 3.92 -0.00 -1.28 -1.01 115.31 125.31 2p0p h LEU 66 Ca -0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2p0p h LEU 66 Cb 1.08 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 2p0p h LEU 66 CO 0.67 0.70 0.00 0.61 -0.00 0.00 0.00 178.44 180.43 2p0p n GLY 67 N 0.38 -2.02 3.73 0.83 0.00 -1.25 -4.08 105.19 102.79 2p0p n GLY 67 Ca -0.01 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 2p0p n GLY 67 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2p0p s MET 68 N -1.86 2.26 1.17 1.61 -1.94 -1.26 -1.04 119.30 118.24 2p0p s MET 68 Ca 0.00 1.68 -0.17 0.00 -1.71 0.00 0.00 55.69 55.49 2p0p s MET 68 Cb 0.00 -1.86 0.27 0.00 2.01 0.00 0.00 34.83 35.25 2p0p s MET 68 CO 0.00 -1.72 1.07 0.00 -0.01 0.00 0.00 175.02 174.36 2p0p s ALA 69 N -2.07 0.36 0.69 3.03 0.00 -0.14 -4.36 121.76 119.27 2p0p s ALA 69 Ca 0.73 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 2p0p s ALA 69 Cb -0.27 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 2p0p s ALA 69 CO 0.44 -3.55 0.18 -2.30 0.00 0.00 0.00 175.76 170.54 2p0p n PRO 70 N -4.73 0.19 -0.35 0.00 -0.02 -1.26 -4.69 135.00 124.14 2p0p n PRO 70 Ca 0.09 0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 2p0p n PRO 70 Cb 0.58 -1.49 0.30 0.00 -0.02 0.00 0.00 33.50 32.87 2p0p n PRO 70 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2p0p h ASP 71 N -0.32 0.83 0.42 2.55 3.58 -1.96 -1.19 116.42 120.33 2p0p h ASP 71 Ca -0.44 0.08 -0.13 0.00 0.42 0.00 0.00 57.03 56.95 2p0p h ASP 71 Cb 1.37 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 2p0p h ASP 71 CO 0.40 0.35 -0.57 -0.78 -2.88 0.00 0.00 179.24 175.76 2p0p h ASP 72 N 0.84 0.18 -0.08 2.28 3.58 -1.99 -2.02 116.42 119.21 2p0p h ASP 72 Ca 0.55 -0.10 -0.12 0.00 0.42 0.00 0.00 57.03 57.77 2p0p h ASP 72 Cb 0.76 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.76 2p0p h ASP 72 CO -0.33 0.72 -0.43 -0.33 -2.88 0.00 0.00 179.24 175.98 2p0p h GLU 73 N 0.12 0.44 0.00 0.28 4.39 -1.60 -3.16 114.58 115.05 2p0p h GLU 73 Ca -0.00 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2p0p h GLU 73 Cb 1.05 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2p0p h GLU 73 CO 0.08 1.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.93 2p0p n LEU 75 N -0.94 0.22 0.00 0.00 7.94 -0.78 -4.34 117.00 119.09 2p0p n LEU 75 Ca 0.12 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.28 2p0p n LEU 75 Cb 0.05 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 43.63 2p0p n LEU 75 CO 0.09 0.05 -0.04 2.29 -1.11 0.00 0.00 177.39 178.66 2p0p n LYS 76 N -1.41 2.94 -3.53 1.96 0.00 -1.18 -4.23 118.16 112.71 2p0p n LYS 76 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.26 2p0p n LYS 76 Cb 0.32 -0.54 -0.04 0.00 -0.00 0.00 0.00 35.03 34.77 2p0p n LYS 76 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2p0p s ASP 77 N -0.66 -0.47 -0.20 -5.58 2.15 -1.23 -5.00 116.67 105.67 2p0p s ASP 77 Ca 0.00 0.10 -0.26 0.00 0.43 0.00 0.00 52.55 52.81 2p0p s ASP 77 Cb 0.00 0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 43.14 2p0p s ASP 77 CO 0.00 -0.81 0.90 -0.04 -0.17 0.00 0.00 175.17 175.05 2p0p s MET 78 N -2.95 4.27 0.12 4.34 -1.94 -1.26 -3.90 119.30 117.97 2p0p s MET 78 Ca -0.03 1.12 0.05 0.00 -1.71 0.00 0.00 55.69 55.13 2p0p s MET 78 Cb -0.00 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.19 2p0p s MET 78 CO -0.06 -0.46 -0.13 0.71 -0.01 0.00 0.00 175.02 175.07 2p0p s TYR 79 N 2.61 1.34 0.02 -0.03 2.02 -1.26 -1.03 117.35 121.02 2p0p s TYR 79 Ca 0.40 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2p0p s TYR 79 Cb -0.16 -0.70 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 2p0p s TYR 79 CO 0.10 0.12 -0.06 0.14 -1.57 0.00 0.00 175.55 174.28 2p0p s VAL 80 N -2.27 0.43 0.17 0.71 -7.23 0.26 -0.97 120.40 111.50 2p0p s VAL 80 Ca 0.09 -0.62 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 2p0p s VAL 80 Cb -0.04 -0.44 -0.08 0.00 0.56 0.00 0.00 36.38 36.39 2p0p s VAL 80 CO 0.02 -0.14 0.90 -1.61 -0.31 0.00 0.00 175.10 173.97 2p0p s GLU 81 N -0.81 4.72 -0.04 4.82 2.02 -0.20 -0.86 118.70 128.35 2p0p s GLU 81 Ca -0.04 1.37 -0.03 0.00 0.02 0.00 0.00 54.97 56.29 2p0p s GLU 81 Cb -0.06 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.87 2p0p s GLU 81 CO 0.00 0.42 0.09 0.14 0.02 0.00 0.00 175.26 175.94 2p0p s VAL 82 N -0.73 -0.01 -0.12 2.63 -7.23 -0.05 -0.90 120.40 113.99 2p0p s VAL 82 Ca 0.41 0.02 -0.03 0.00 -1.81 0.00 0.00 61.98 60.57 2p0p s VAL 82 Cb -0.24 -0.14 -0.03 0.00 0.56 0.00 0.00 36.38 36.52 2p0p s VAL 82 CO 0.29 0.01 -0.00 0.00 -0.31 0.00 0.00 175.10 175.09 2p0p s ALA 83 N 0.18 3.22 -1.50 1.32 0.00 0.18 -0.26 121.76 124.91 2p0p s ALA 83 Ca -0.01 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 2p0p s ALA 83 Cb -0.02 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.54 2p0p s ALA 83 CO -0.01 0.42 2.47 -3.47 0.00 0.00 0.00 175.76 175.17 2p0p n ASP 84 N 2.76 5.96 0.15 0.00 2.03 -1.20 -1.33 116.55 124.92 2p0p n ASP 84 Ca -0.18 -2.79 0.09 0.00 0.52 0.00 0.00 54.79 52.44 2p0p n ASP 84 Cb 0.53 -1.59 0.50 0.00 -0.72 0.00 0.00 41.12 39.84 2p0p n ASP 84 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2p0p n ILE 85 N 4.20 1.07 0.93 5.18 -5.35 -1.20 -0.39 119.36 123.81 2p0p n ILE 85 Ca 0.61 0.71 0.12 0.00 -0.27 0.00 0.00 62.75 63.92 2p0p n ILE 85 Cb 0.32 -1.71 0.24 0.00 -1.74 0.00 0.00 39.64 36.74 2p0p n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p0p n GLY 86 N -1.31 -1.27 0.00 3.28 0.00 -0.66 -4.61 105.19 100.62 2p0p n GLY 86 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2p0p n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p0p n GLY 87 N 1.48 0.00 0.04 -0.02 0.00 -0.50 -4.89 105.19 101.29 2p0p n GLY 87 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2p0p n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p0p n LYS 88 N -0.29 0.00 0.00 1.61 4.76 0.34 -5.05 118.16 119.53 2p0p n LYS 88 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2p0p n LYS 88 Cb 0.00 -0.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 2p0p n LYS 88 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2p0p n ASP 89 N -1.55 0.00 -0.73 4.39 2.03 0.48 -4.58 116.55 116.59 2p0p n ASP 89 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 2p0p n ASP 89 Cb 0.01 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 40.74 2p0p n ASP 89 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2p0p n ASP 90 N 0.01 2.24 -4.16 1.67 2.03 -1.26 -4.75 116.55 112.33 2p0p n ASP 90 Ca 0.00 -1.77 -0.10 0.00 0.52 0.00 0.00 54.79 53.44 2p0p n ASP 90 Cb 0.00 -0.08 -0.10 0.00 -0.72 0.00 0.00 41.12 40.22 2p0p n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2p0p s ASP 91 N -1.76 0.67 0.05 1.67 2.15 -1.26 -5.12 116.67 113.07 2p0p s ASP 91 Ca 0.34 -1.13 0.02 0.00 0.43 0.00 0.00 52.55 52.21 2p0p s ASP 91 Cb 0.20 0.21 -0.03 0.00 -0.30 0.00 0.00 42.92 43.00 2p0p s ASP 91 CO 0.30 -0.63 -0.08 0.54 -0.17 0.00 0.00 175.17 175.13 2p0p s VAL 92 N -3.87 0.58 0.12 1.11 0.11 -1.26 -3.21 120.40 113.98 2p0p s VAL 92 Ca 0.19 -1.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 2p0p s VAL 92 Cb 0.07 -0.77 -0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2p0p s VAL 92 CO -0.01 -0.44 0.14 -1.22 -3.33 0.00 0.00 175.10 170.24 2p0p n TYR 93 N 1.25 -0.54 -4.48 1.54 4.01 0.64 -4.98 117.16 114.59 2p0p n TYR 93 Ca -0.21 -0.94 -0.26 0.00 -0.16 0.00 0.00 57.90 56.33 2p0p n TYR 93 Cb 0.55 0.15 -0.13 0.00 -0.31 0.00 0.00 39.34 39.61 2p0p n TYR 93 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p0p s THR 94 N -2.53 1.85 0.04 -0.72 2.01 -1.26 -0.87 115.64 114.16 2p0p s THR 94 Ca 0.13 -1.46 0.02 0.00 0.31 0.00 0.00 61.69 60.69 2p0p s THR 94 Cb 0.00 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 2p0p s THR 94 CO 0.09 0.09 -0.08 0.00 -0.69 0.00 0.00 174.62 174.04 2p0p s ALA 95 N -0.99 0.59 0.13 7.40 0.00 -0.04 -4.92 121.76 123.93 2p0p s ALA 95 Ca 0.09 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 2p0p s ALA 95 Cb -0.10 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 2p0p s ALA 95 CO 0.04 -0.02 1.22 -1.59 0.00 0.00 0.00 175.76 175.41 2p0p s LYS 96 N -1.62 4.45 0.51 0.00 0.00 -1.26 -0.57 119.74 121.24 2p0p s LYS 96 Ca -0.09 1.86 0.16 0.00 0.00 0.00 0.00 55.97 57.89 2p0p s LYS 96 Cb -0.10 -3.28 1.24 0.00 0.00 0.00 0.00 37.83 35.69 2p0p s LYS 96 CO 0.00 -0.19 2.14 1.25 0.00 0.00 0.00 175.35 178.55 2p0p h LEU 97 N 5.99 0.02 -2.03 2.77 5.85 -1.40 -1.12 115.31 125.39 2p0p h LEU 97 Ca -0.43 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.30 2p0p h LEU 97 Cb 1.21 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 2p0p h LEU 97 CO 0.78 0.03 0.33 0.28 -0.34 0.00 0.00 178.44 179.52 2p0p h SER 98 N 0.02 0.00 -0.18 1.25 0.02 -1.92 -2.35 113.55 110.39 2p0p h SER 98 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2p0p h SER 98 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2p0p h SER 98 CO 0.00 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.02 2p0p n ASP 99 N -3.01 2.90 -4.39 3.07 2.03 -0.42 -5.00 116.55 111.72 2p0p n ASP 99 Ca -0.01 -2.50 -0.25 0.00 0.52 0.00 0.00 54.79 52.55 2p0p n ASP 99 Cb 0.40 -0.31 -0.12 0.00 -0.72 0.00 0.00 41.12 40.37 2p0p n ASP 99 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2p0p s ILE 100 N -1.88 2.17 -0.15 5.18 1.01 -0.89 -0.97 121.20 125.68 2p0p s ILE 100 Ca 0.25 -1.96 0.00 0.00 0.00 0.00 0.00 60.65 58.95 2p0p s ILE 100 Cb 0.19 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 40.68 2p0p s ILE 100 CO 0.08 -0.15 -0.13 -0.70 0.00 0.00 0.00 174.94 174.04 2p0p s GLU 101 N -2.62 2.17 0.23 2.79 2.12 -0.26 -4.93 118.70 118.19 2p0p s GLU 101 Ca 0.18 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 2p0p s GLU 101 Cb -0.08 -2.10 -0.09 0.00 0.26 0.00 0.00 34.13 32.13 2p0p s GLU 101 CO 0.08 -0.27 0.98 0.00 -0.54 0.00 0.00 175.26 175.51 2p0p s ALA 102 N 1.50 3.34 0.04 6.30 0.00 -1.26 -0.53 121.76 131.15 2p0p s ALA 102 Ca 0.04 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.72 2p0p s ALA 102 Cb -0.13 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2p0p s ALA 102 CO -0.10 0.09 -0.12 0.42 0.00 0.00 0.00 175.76 176.04 2p0p s ILE 103 N -0.98 0.97 -1.60 0.00 1.01 -0.38 -4.87 121.20 115.35 2p0p s ILE 103 Ca 0.43 -1.03 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 2p0p s ILE 103 Cb -0.27 -0.91 0.11 0.00 0.01 0.00 0.00 42.46 41.40 2p0p s ILE 103 CO 0.34 -0.11 0.92 -0.67 0.00 0.00 0.00 174.94 175.42 2p0p n ASP 104 N 1.75 -4.34 -4.60 3.58 2.03 -1.26 -3.72 116.55 109.99 2p0p n ASP 104 Ca -0.19 -0.86 -0.26 0.00 0.52 0.00 0.00 54.79 54.00 2p0p n ASP 104 Cb 0.55 -3.48 -0.10 0.00 -0.72 0.00 0.00 41.12 37.37 2p0p n ASP 104 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2p0p s VAL 105 N -3.29 2.30 0.62 5.18 0.11 -1.26 -4.76 120.40 119.30 2p0p s VAL 105 Ca 0.70 -2.06 -0.18 0.00 -2.93 0.00 0.00 61.98 57.52 2p0p s VAL 105 Cb -0.36 -2.79 -0.02 0.00 -1.53 0.00 0.00 36.38 31.67 2p0p s VAL 105 CO 0.86 -0.14 1.19 -0.62 -3.33 0.00 0.00 175.10 173.06 2p0p s ASP 106 N -3.68 5.06 0.28 3.54 2.15 -1.26 -4.76 116.67 118.00 2p0p s ASP 106 Ca 0.34 2.32 0.00 0.00 0.43 0.00 0.00 52.55 55.65 2p0p s ASP 106 Cb 0.04 -2.59 0.53 0.00 -0.30 0.00 0.00 42.92 40.59 2p0p s ASP 106 CO 0.18 -1.68 1.83 -0.78 -0.17 0.00 0.00 175.17 174.56 2p0p h ASP 107 N 0.63 0.89 0.66 -0.34 3.58 -2.00 0.57 116.42 120.41 2p0p h ASP 107 Ca -0.50 0.05 -0.14 0.00 0.42 0.00 0.00 57.03 56.86 2p0p h ASP 107 Cb 1.29 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2p0p h ASP 107 CO 0.54 0.48 -0.67 -0.78 -2.88 0.00 0.00 179.24 175.93 2p0p h ASP 108 N 0.96 0.01 -0.04 2.28 3.58 -1.95 0.58 116.42 121.84 2p0p h ASP 108 Ca 0.48 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.91 2p0p h ASP 108 Cb 0.47 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 2p0p h ASP 108 CO -0.26 0.67 -0.05 0.74 -2.88 0.00 0.00 179.24 177.46 2p0p h THR 109 N 0.00 1.39 -0.40 2.25 2.02 -1.52 -2.28 112.91 114.37 2p0p h THR 109 Ca -0.01 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 65.96 2p0p h THR 109 Cb 1.18 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 69.69 2p0p h THR 109 CO 0.09 0.33 0.22 -0.61 0.37 0.00 0.00 175.52 175.92 2p0p h GLN 110 N -0.36 0.44 -0.44 6.66 -0.00 -0.72 -1.62 115.11 119.06 2p0p h GLN 110 Ca 0.01 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.57 2p0p h GLN 110 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.93 2p0p h GLN 110 CO 0.01 0.29 0.03 0.93 0.00 0.00 0.00 178.83 180.09 2p0p h GLU 111 N 0.45 0.69 -0.50 1.69 4.39 -0.95 0.10 114.58 120.46 2p0p h GLU 111 Ca 0.16 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2p0p h GLU 111 Cb 0.04 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2p0p h GLU 111 CO -0.09 0.69 -0.05 0.00 -1.16 0.00 0.00 179.01 178.39 2p0p h ALA 112 N 1.38 0.68 -0.36 3.43 0.00 -0.80 0.31 119.26 123.90 2p0p h ALA 112 Ca 0.14 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2p0p h ALA 112 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2p0p h ALA 112 CO 0.01 0.54 -0.14 0.82 0.00 0.00 0.00 179.25 180.48 2p0p h ILE 113 N 0.78 1.28 -0.89 0.00 2.04 -0.94 -1.45 117.51 118.34 2p0p h ILE 113 Ca 0.14 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.78 2p0p h ILE 113 Cb 0.59 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 2p0p h ILE 113 CO 0.04 0.41 0.59 0.00 0.00 0.00 0.00 178.15 179.18 2p0p h ALA 114 N 0.81 1.40 -0.29 1.87 0.00 -0.65 -0.59 119.26 121.81 2p0p h ALA 114 Ca 0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2p0p h ALA 114 Cb 0.67 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2p0p h ALA 114 CO 0.05 0.53 -0.37 0.22 0.00 0.00 0.00 179.25 179.68 2p0p h ASP 115 N 1.16 0.71 -0.47 0.00 3.58 -0.64 0.63 116.42 121.39 2p0p h ASP 115 Ca 0.34 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2p0p h ASP 115 Cb -0.06 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 2p0p h ASP 115 CO -0.09 1.01 0.28 -0.25 -2.88 0.00 0.00 179.24 177.32 2p0p h TRP 116 N 0.56 0.62 -0.76 0.28 2.91 -0.79 -0.56 115.95 118.22 2p0p h TRP 116 Ca 0.05 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 2p0p h TRP 116 Cb 0.89 -0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 29.31 2p0p h TRP 116 CO 0.04 0.43 0.37 -0.07 -1.03 0.00 0.00 178.44 178.18 2p0p h LEU 117 N 0.62 0.98 -0.22 0.65 3.38 -0.63 0.47 115.31 120.57 2p0p h LEU 117 Ca 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2p0p h LEU 117 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2p0p h LEU 117 CO -0.03 0.84 0.10 1.88 0.09 0.00 0.00 178.44 181.32 2p0p h TYR 118 N 1.06 0.31 -0.60 1.13 0.05 -0.72 -0.14 116.97 118.06 2p0p h TYR 118 Ca 0.26 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 59.08 2p0p h TYR 118 Cb 0.11 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.70 2p0p h TYR 118 CO 0.01 0.32 0.32 2.35 -1.05 0.00 0.00 178.16 180.10 2p0p h TRP 119 N 0.22 0.58 -0.34 4.88 2.91 -0.65 0.64 115.95 124.19 2p0p h TRP 119 Ca 0.07 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.01 2p0p h TRP 119 Cb 0.12 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.59 2p0p h TRP 119 CO -0.02 0.27 -0.20 1.25 -1.03 0.00 0.00 178.44 178.71 2p0p h LEU 120 N 0.59 0.77 -0.77 0.65 7.12 -0.73 -1.81 115.31 121.12 2p0p h LEU 120 Ca 0.27 -0.42 -0.01 0.00 0.13 0.00 0.00 57.88 57.85 2p0p h LEU 120 Cb 0.18 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.06 2p0p h LEU 120 CO -0.18 1.02 0.44 0.00 -0.13 0.00 0.00 178.44 179.60 2p0p h ALA 121 N 0.77 0.99 -0.23 1.25 0.00 -0.70 -1.30 119.26 120.03 2p0p h ALA 121 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2p0p h ALA 121 Cb 0.75 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2p0p h ALA 121 CO 0.06 0.47 0.14 -0.09 0.00 0.00 0.00 179.25 179.83 2p0p h ARG 122 N 1.06 0.30 0.00 0.00 9.65 -0.66 -3.43 114.38 121.30 2p0p h ARG 122 Ca 0.27 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 2p0p h ARG 122 Cb -0.00 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 2p0p h ARG 122 CO -0.05 0.21 0.00 0.41 2.80 0.00 0.00 179.97 183.35 2p0p n GLY 123 N -1.47 4.27 3.57 2.80 0.00 -0.49 -4.91 105.19 108.96 2p0p n GLY 123 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 2p0p n GLY 123 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p0p s TYR 124 N -0.55 1.68 0.00 1.61 5.04 -1.21 -4.58 117.35 119.35 2p0p s TYR 124 Ca 0.00 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 2p0p s TYR 124 Cb 0.00 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.25 2p0p s TYR 124 CO 0.00 -2.63 0.01 0.36 -1.34 0.00 0.00 175.55 171.95 2p0p n LYS 125 N 8.81 0.02 0.00 4.97 2.85 -1.26 -5.16 118.16 128.40 2p0p n LYS 125 Ca 0.23 -0.01 0.04 0.00 -1.05 0.00 0.00 58.31 57.53 2p0p n LYS 125 Cb 0.50 -0.36 0.04 0.00 -0.65 0.00 0.00 35.03 34.55 2p0p n LYS 125 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54