#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 1.71 0.00 -5.12 0.00 -1.78 -3.21 119.26 110.86 2p0p h ALA 2 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2p0p h ALA 2 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2p0p h ALA 2 CO 0.00 0.21 0.00 0.43 0.00 0.00 0.00 179.25 179.89 2p0p n SER 3 N -4.35 0.00 0.00 0.00 7.64 -1.26 -2.77 113.62 112.88 2p0p n SER 3 Ca -0.02 0.47 0.08 0.00 1.01 0.00 0.00 58.87 60.41 2p0p n SER 3 Cb 0.22 -0.47 0.47 0.00 -1.01 0.00 0.00 64.21 63.42 2p0p n SER 3 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2p0p n VAL 4 N -1.47 0.15 -1.62 0.44 0.24 -1.21 -4.81 118.33 110.05 2p0p n VAL 4 Ca 0.01 0.04 -0.45 0.00 -2.04 0.00 0.00 64.34 61.90 2p0p n VAL 4 Cb 0.04 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 31.62 2p0p n VAL 4 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2p0p n GLU 5 N -1.08 1.53 -0.04 7.34 0.28 -1.11 -4.93 120.64 122.63 2p0p n GLU 5 Ca 0.11 0.54 -0.09 0.00 -0.16 0.00 0.00 57.16 57.56 2p0p n GLU 5 Cb 0.08 -1.98 -0.03 0.00 1.43 0.00 0.00 31.44 30.93 2p0p n GLU 5 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2p0p n ARG 6 N 0.90 0.18 -3.65 3.44 5.12 -1.26 -5.06 116.66 116.33 2p0p n ARG 6 Ca 0.09 0.08 -0.14 0.00 -1.93 0.00 0.00 57.85 55.95 2p0p n ARG 6 Cb 0.32 -0.80 -0.08 0.00 -1.16 0.00 0.00 32.46 30.75 2p0p n ARG 6 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2p0p s ASP 7 N -5.76 -0.68 0.38 0.55 -1.08 -1.26 -5.07 116.67 103.74 2p0p s ASP 7 Ca -0.12 1.30 0.28 0.00 -0.52 0.00 0.00 52.55 53.49 2p0p s ASP 7 Cb 0.04 1.31 1.19 0.00 -1.46 0.00 0.00 42.92 44.00 2p0p s ASP 7 CO 0.15 -0.24 1.83 -0.33 0.52 0.00 0.00 175.17 177.10 2p0p h GLU 8 N 5.04 0.00 -0.29 4.34 5.08 -2.02 -2.71 114.58 124.02 2p0p h GLU 8 Ca -0.29 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.16 2p0p h GLU 8 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2p0p h GLU 8 CO 0.10 0.00 0.24 1.79 -1.00 0.00 0.00 179.01 180.14 2p0p h THR 9 N 0.00 0.66 -0.15 1.13 1.35 -1.98 -1.15 112.91 112.77 2p0p h THR 9 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.87 2p0p h THR 9 Cb 0.38 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2p0p h THR 9 CO 0.00 0.00 0.06 0.03 -0.25 0.00 0.00 175.52 175.36 2p0p h ARG 10 N 0.00 0.13 -0.21 4.72 2.47 -1.91 0.15 114.38 119.72 2p0p h ARG 10 Ca 0.14 -0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.73 2p0p h ARG 10 Cb 0.62 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2p0p h ARG 10 CO -0.00 0.09 -0.35 0.93 0.56 0.00 0.00 179.97 181.19 2p0p h GLU 11 N 0.13 0.61 -0.15 0.04 5.08 -1.46 -2.37 114.58 116.47 2p0p h GLU 11 Ca 0.06 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2p0p h GLU 11 Cb 0.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2p0p h GLU 11 CO -0.06 0.99 0.06 0.45 -1.00 0.00 0.00 179.01 179.45 2p0p h HIS 12 N 0.30 0.23 -0.42 4.33 3.86 -1.32 -2.34 115.15 119.79 2p0p h HIS 12 Ca 0.02 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.10 2p0p h HIS 12 Cb 0.94 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 2p0p h HIS 12 CO 0.09 0.30 -0.15 0.00 0.86 0.00 0.00 177.93 179.04 2p0p h ARG 13 N 0.09 0.83 -0.63 2.45 3.08 -0.97 -0.78 114.38 118.46 2p0p h ARG 13 Ca 0.05 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 2p0p h ARG 13 Cb 0.17 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2p0p h ARG 13 CO -0.00 0.97 0.15 0.97 -1.07 0.00 0.00 179.97 180.99 2p0p h ILE 14 N 0.65 1.25 -0.77 2.04 2.10 -1.44 -1.05 117.51 120.29 2p0p h ILE 14 Ca 0.10 -0.92 -0.02 0.00 1.08 0.00 0.00 64.86 65.09 2p0p h ILE 14 Cb 0.69 0.65 -0.04 0.00 -1.09 0.00 0.00 36.82 37.03 2p0p h ILE 14 CO 0.05 0.35 0.39 -0.08 -1.08 0.00 0.00 178.15 177.77 2p0p h GLU 15 N 0.93 1.09 -0.05 2.19 4.81 -1.18 -0.66 114.58 121.70 2p0p h GLU 15 Ca 0.20 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2p0p h GLU 15 Cb 0.36 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2p0p h GLU 15 CO 0.00 0.83 0.00 0.25 -0.73 0.00 0.00 179.01 179.36 2p0p n THR 16 N -4.33 0.04 0.00 0.32 -2.24 -0.32 -3.55 114.28 104.20 2p0p n THR 16 Ca 0.08 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2p0p n THR 16 Cb 0.12 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 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 1.06 3.92 0.00 -0.78 1.02 -0.43 -4.88 120.64 120.55 2p0p n GLU 17 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2p0p n GLU 17 Cb 0.54 -0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 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 -0.04 0.00 -2.12 -3.67 5.41 -0.28 -4.77 119.36 113.89 2p0p n ILE 18 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 2p0p n ILE 18 Cb 0.00 -0.75 0.08 0.00 -0.71 0.00 0.00 39.64 38.27 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 -1.86 1.81 -0.25 1.39 -0.00 -1.04 -4.61 119.36 114.80 2p0p n ILE 19 Ca 0.00 -3.19 0.16 0.00 -0.00 0.00 0.00 62.75 59.72 2p0p n ILE 19 Cb 0.41 -0.08 0.45 0.00 -0.00 0.00 0.00 39.64 40.43 2p0p n ILE 19 CO 0.00 0.00 0.00 -0.37 -0.00 0.00 0.00 176.55 176.18 2p0p h VAL 20 N 3.22 0.75 0.00 7.28 -1.51 -1.81 -3.18 116.25 120.99 2p0p h VAL 20 Ca 0.07 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2p0p h VAL 20 Cb 1.38 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2p0p h VAL 20 CO 0.32 0.10 0.00 -0.67 -1.23 0.00 0.00 177.57 176.09 2p0p n ASP 21 N -4.54 0.47 -4.56 4.19 2.03 -1.26 -5.00 116.55 107.87 2p0p n ASP 21 Ca 0.18 -1.13 -0.40 0.00 0.52 0.00 0.00 54.79 53.96 2p0p n ASP 21 Cb 0.59 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.96 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 -0.13 2.50 -0.84 -1.67 0.00 -1.20 -4.87 121.76 115.55 2p0p s ALA 22 Ca 0.00 -0.58 0.27 0.00 0.00 0.00 0.00 51.96 51.65 2p0p s ALA 22 Cb 0.00 -4.20 0.84 0.00 0.00 0.00 0.00 23.12 19.76 2p0p s ALA 22 CO 0.00 -3.38 1.71 -0.85 0.00 0.00 0.00 175.76 173.23 2p0p n GLU 23 N 8.94 0.15 -3.91 0.00 0.28 -1.26 -4.72 120.64 120.12 2p0p n GLU 23 Ca 0.17 0.10 -0.10 0.00 -0.16 0.00 0.00 57.16 57.17 2p0p n GLU 23 Cb 0.50 -1.65 -0.10 0.00 1.43 0.00 0.00 31.44 31.62 2p0p n GLU 23 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2p0p s ASP 24 N -3.80 0.11 0.52 -1.84 2.15 -1.26 -5.06 116.67 107.49 2p0p s ASP 24 Ca 0.11 -0.36 0.29 0.00 0.43 0.00 0.00 52.55 53.02 2p0p s ASP 24 Cb 0.15 0.19 1.42 0.00 -0.30 0.00 0.00 42.92 44.38 2p0p s ASP 24 CO 0.61 -0.39 1.92 0.07 -0.17 0.00 0.00 175.17 177.20 2p0p h LYS 25 N 4.18 0.04 -0.10 4.34 -0.00 -1.91 -0.00 116.57 123.11 2p0p h LYS 25 Ca -0.32 -0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.17 2p0p h LYS 25 Cb 1.19 -0.01 0.01 0.00 -0.00 0.00 0.00 32.23 33.42 2p0p h LYS 25 CO 0.43 0.02 -0.58 0.93 -0.00 0.00 0.00 179.45 180.26 2p0p h GLU 26 N 0.04 0.58 -0.47 0.07 5.08 -1.92 -0.75 114.58 117.21 2p0p h GLU 26 Ca 0.38 -0.48 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2p0p h GLU 26 Cb 1.47 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 2p0p h GLU 26 CO -0.02 1.11 0.03 0.93 -1.00 0.00 0.00 179.01 180.05 2p0p h GLU 27 N 0.20 0.76 -0.15 2.33 4.39 -1.53 -1.74 114.58 118.85 2p0p h GLU 27 Ca -0.04 -0.19 -0.12 0.00 0.34 0.00 0.00 59.36 59.35 2p0p h GLU 27 Cb 1.23 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2p0p h GLU 27 CO 0.12 0.75 -0.43 0.00 -1.16 0.00 0.00 179.01 178.29 2p0p h ARG 28 N 0.72 0.35 -0.72 2.33 3.08 -0.93 0.18 114.38 119.38 2p0p h ARG 28 Ca 0.15 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2p0p h ARG 28 Cb 0.40 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 2p0p h ARG 28 CO 0.01 0.72 0.20 0.00 -1.07 0.00 0.00 179.97 179.83 2p0p h ALA 29 N 1.26 0.94 -0.66 0.04 0.00 -0.74 -1.40 119.26 118.70 2p0p h ALA 29 Ca 0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2p0p h ALA 29 Cb 0.88 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2p0p h ALA 29 CO 0.07 0.65 0.10 0.52 0.00 0.00 0.00 179.25 180.60 2p0p h MET 30 N 1.08 1.09 -0.08 0.00 2.86 -0.71 0.37 114.93 119.54 2p0p h MET 30 Ca 0.23 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2p0p h MET 30 Cb 0.34 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2p0p h MET 30 CO -0.00 1.00 0.02 0.78 1.06 0.00 0.00 176.91 179.77 2p0p h GLY 31 N 1.05 0.09 0.49 8.32 0.00 -0.75 0.48 103.07 112.75 2p0p h GLY 31 Ca 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.55 2p0p h GLY 31 CO 0.01 0.01 -0.23 1.49 0.00 0.00 0.00 176.54 177.82 2p0p h TRP 32 N 0.06 -0.62 -0.48 5.60 4.06 -1.11 -2.82 115.95 120.64 2p0p h TRP 32 Ca 0.03 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.04 2p0p h TRP 32 Cb 0.02 0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.41 2p0p h TRP 32 CO -0.10 -0.33 0.24 -0.92 -3.56 0.00 0.00 178.44 173.77 2p0p h TYR 33 N -0.38 0.43 0.41 0.49 3.20 -0.65 -1.25 116.97 119.22 2p0p h TYR 33 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2p0p h TYR 33 Cb 0.45 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2p0p h TYR 33 CO -0.26 0.21 -0.26 -0.92 -1.64 0.00 0.00 178.16 175.29 2p0p h TYR 34 N 0.47 -0.69 -0.11 -3.82 3.20 -0.74 0.34 116.97 115.62 2p0p h TYR 34 Ca 0.21 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.90 2p0p h TYR 34 Cb 0.13 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2p0p h TYR 34 CO -0.11 -0.40 -0.68 0.10 -1.64 0.00 0.00 178.16 175.44 2p0p h TYR 35 N -0.65 0.61 -0.01 -3.82 -0.00 -1.42 -2.51 116.97 109.17 2p0p h TYR 35 Ca -0.04 -0.25 -0.00 0.00 -0.00 0.00 0.00 58.73 58.43 2p0p h TYR 35 Cb 0.54 -0.10 -0.00 0.00 -0.00 0.00 0.00 36.73 37.16 2p0p h TYR 35 CO -0.10 1.00 0.00 1.25 -0.00 0.00 0.00 178.16 180.31 2p0p h LEU 36 N 0.33 0.02 -1.02 0.10 5.85 -1.03 -0.86 115.31 118.70 2p0p h LEU 36 Ca -0.02 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.45 2p0p h LEU 36 Cb 1.24 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2p0p h LEU 36 CO 0.12 0.28 0.67 -0.78 -0.34 0.00 0.00 178.44 178.38 2p0p h ASP 37 N -0.24 1.15 0.47 1.25 3.58 -0.97 0.14 116.42 121.81 2p0p h ASP 37 Ca 0.00 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2p0p h ASP 37 Cb 0.27 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 2p0p h ASP 37 CO 0.00 0.83 -0.16 -0.78 -2.88 0.00 0.00 179.24 176.25 2p0p h ASP 38 N 1.36 0.00 0.13 2.28 3.58 -1.23 -3.28 116.42 119.25 2p0p h ASP 38 Ca 0.37 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.46 2p0p h ASP 38 Cb -0.15 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 40.85 2p0p h ASP 38 CO -0.08 0.16 -2.18 0.41 -2.88 0.00 0.00 179.24 174.66 2p0p n THR 39 N -3.63 1.58 -1.74 2.25 -1.04 -0.35 -4.86 114.28 106.49 2p0p n THR 39 Ca -0.01 -0.70 -0.42 0.00 -2.04 0.00 0.00 64.05 60.88 2p0p n THR 39 Cb 0.29 -1.25 -0.03 0.00 -1.82 0.00 0.00 70.33 67.52 2p0p n THR 39 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2p0p s LEU 40 N -6.38 4.34 -0.42 -4.42 1.43 -0.09 -4.39 118.68 108.76 2p0p s LEU 40 Ca -0.21 2.52 -0.06 0.00 -1.03 0.00 0.00 54.13 55.36 2p0p s LEU 40 Cb 0.07 -3.53 -0.12 0.00 0.03 0.00 0.00 46.19 42.65 2p0p s LEU 40 CO 0.74 -1.09 3.20 -0.62 0.23 0.00 0.00 176.35 178.80 2p0p n GLU 41 N 7.54 2.50 -0.98 1.70 1.02 -1.26 -4.95 120.64 126.21 2p0p n GLU 41 Ca 0.20 -1.74 -0.32 0.00 -0.02 0.00 0.00 57.16 55.28 2p0p n GLU 41 Cb 0.42 -2.18 0.14 0.00 -0.02 0.00 0.00 31.44 29.79 2p0p n GLU 41 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2p0p s PHE 42 N 0.11 1.85 0.69 -0.32 -0.12 -1.26 -4.57 117.98 114.36 2p0p s PHE 42 Ca 0.64 1.71 -0.14 0.00 -0.05 0.00 0.00 56.93 59.09 2p0p s PHE 42 Cb 0.32 -3.36 0.02 0.00 -0.63 0.00 0.00 43.02 39.36 2p0p s PHE 42 CO -0.08 -2.66 1.12 -1.25 -0.05 0.00 0.00 175.22 172.30 2p0p s PRO 43 N -4.44 2.61 0.00 1.99 0.04 -1.26 -5.02 135.00 128.92 2p0p s PRO 43 Ca 0.69 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2p0p s PRO 43 Cb -0.24 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2p0p s PRO 43 CO 0.54 -1.40 0.00 1.97 0.04 0.00 0.00 177.00 178.15 2p0p n PHE 44 N -2.65 -0.17 -4.31 0.56 -1.74 -0.32 -5.01 117.46 103.83 2p0p n PHE 44 Ca 0.11 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.83 2p0p n PHE 44 Cb 0.52 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 -1.66 1.36 0.16 3.97 0.23 -1.24 -0.25 119.30 121.87 2p0p s MET 45 Ca 0.00 -1.73 -0.17 0.00 -1.03 0.00 0.00 55.69 52.77 2p0p s MET 45 Cb 0.00 -0.27 0.06 0.00 -1.53 0.00 0.00 34.83 33.08 2p0p s MET 45 CO 0.00 -0.26 0.80 0.41 -2.03 0.00 0.00 175.02 173.94 2p0p n GLY 46 N -0.43 0.78 3.25 3.16 0.00 -0.03 -1.09 105.19 110.83 2p0p n GLY 46 Ca -0.01 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 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 3.23 -0.53 1.61 2.47 0.30 -0.92 119.74 123.86 2p0p s LYS 47 Ca 0.18 -0.72 -0.28 0.00 -1.56 0.00 0.00 55.97 53.58 2p0p s LYS 47 Cb -0.02 -2.73 0.02 0.00 -1.46 0.00 0.00 37.83 33.63 2p0p s LYS 47 CO 0.05 -0.08 1.33 -0.46 0.16 0.00 0.00 175.35 176.35 2p0p s TRP 48 N 1.09 2.44 -0.16 4.03 -0.11 0.43 -0.90 118.94 125.75 2p0p s TRP 48 Ca 0.00 0.53 -0.05 0.00 1.22 0.00 0.00 56.10 57.79 2p0p s TRP 48 Cb -0.14 -4.41 -0.15 0.00 -1.50 0.00 0.00 33.47 27.26 2p0p s TRP 48 CO -0.04 -1.81 3.32 1.63 -4.62 0.00 0.00 176.95 175.44 2p0p n LYS 49 N 8.41 2.14 -1.68 5.86 4.76 -0.37 -1.60 118.16 135.68 2p0p n LYS 49 Ca 0.12 -1.48 -0.51 0.00 -2.87 0.00 0.00 58.31 53.57 2p0p n LYS 49 Cb 0.49 -2.05 -0.06 0.00 -1.84 0.00 0.00 35.03 31.57 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 1.92 1.82 0.01 1.97 4.81 0.22 -4.53 118.16 124.38 2p0p n LYS 50 Ca 0.45 0.66 0.11 0.00 -0.87 0.00 0.00 58.31 58.67 2p0p n LYS 50 Cb 0.79 -2.48 0.14 0.00 0.02 0.00 0.00 35.03 33.50 2p0p n LYS 50 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2p0p n LYS 51 N 6.35 0.05 0.00 1.64 4.81 -1.26 -0.37 118.16 129.39 2p0p n LYS 51 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 2p0p n LYS 51 Cb 0.24 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.77 2p0p n LYS 51 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2p0p n SER 52 N -1.58 1.48 -3.71 3.14 7.64 -1.26 -4.48 113.62 114.85 2p0p n SER 52 Ca 0.05 -1.28 -0.30 0.00 1.01 0.00 0.00 58.87 58.34 2p0p n SER 52 Cb 0.35 -0.32 0.25 0.00 -1.01 0.00 0.00 64.21 63.48 2p0p n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2p0p s ARG 53 N -0.11 -1.40 0.59 1.43 3.52 -1.26 -4.91 118.95 116.80 2p0p s ARG 53 Ca 0.00 -0.14 0.39 0.00 -0.13 0.00 0.00 55.73 55.85 2p0p s ARG 53 Cb 0.00 -1.58 2.12 0.00 -1.56 0.00 0.00 34.95 33.92 2p0p s ARG 53 CO 0.00 -3.81 2.20 0.87 -0.81 0.00 0.00 175.30 173.75 2p0p h LYS 54 N -2.65 0.00 -5.20 5.12 1.79 -1.93 -3.43 116.57 110.27 2p0p h LYS 54 Ca -0.44 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.51 2p0p h LYS 54 Cb 1.29 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.80 2p0p h LYS 54 CO 0.31 0.00 -0.57 0.95 -1.08 0.00 0.00 179.45 179.06 2p0p s THR 55 N -3.99 1.08 -1.54 -0.16 -4.23 -1.26 -5.04 115.64 100.50 2p0p s THR 55 Ca -0.04 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.55 2p0p s THR 55 Cb 0.11 -2.63 0.16 0.00 1.34 0.00 0.00 72.50 71.48 2p0p s THR 55 CO 0.37 0.00 1.09 -1.20 -0.54 0.00 0.00 174.62 174.34 2p0p n SER 56 N -0.92 0.00 -4.77 3.99 7.64 -1.26 -4.78 113.62 113.52 2p0p n SER 56 Ca -0.05 0.09 -0.41 0.00 1.01 0.00 0.00 58.87 59.51 2p0p n SER 56 Cb 0.66 -0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.46 2.24 0.41 0.44 2.01 -1.26 -4.93 115.64 112.08 2p0p s THR 57 Ca 0.09 0.23 -0.25 0.00 0.31 0.00 0.00 61.69 62.06 2p0p s THR 57 Cb 0.06 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 69.34 2p0p s THR 57 CO 0.12 0.05 1.16 -0.63 -0.69 0.00 0.00 174.62 174.62 2p0p s ILE 58 N -0.70 3.20 0.14 1.82 -1.09 -1.26 -4.34 121.20 118.96 2p0p s ILE 58 Ca 0.56 0.99 0.08 0.00 -2.23 0.00 0.00 60.65 60.04 2p0p s ILE 58 Cb -0.45 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 2p0p s ILE 58 CO 0.55 0.07 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.54 2p0p s GLU 59 N -2.35 1.17 -0.20 2.79 0.41 0.51 -4.98 118.70 116.05 2p0p s GLU 59 Ca 0.58 -1.30 -0.00 0.00 -0.41 0.00 0.00 54.97 53.84 2p0p s GLU 59 Cb -0.30 -1.25 0.05 0.00 -1.78 0.00 0.00 34.13 30.85 2p0p s GLU 59 CO 0.37 0.26 -0.04 -1.21 -0.49 0.00 0.00 175.26 174.15 2p0p s GLU 60 N -2.51 1.43 -0.18 1.61 2.02 -1.26 -0.61 118.70 119.21 2p0p s GLU 60 Ca 0.11 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.41 2p0p s GLU 60 Cb -0.07 -2.26 0.01 0.00 0.10 0.00 0.00 34.13 31.91 2p0p s GLU 60 CO 0.05 -0.52 -0.17 0.21 0.02 0.00 0.00 175.26 174.85 2p0p s LYS 61 N 1.56 3.09 0.14 1.61 2.20 -0.62 -4.96 119.74 122.76 2p0p s LYS 61 Ca -0.02 -0.79 -0.31 0.00 -0.36 0.00 0.00 55.97 54.50 2p0p s LYS 61 Cb -0.17 -2.64 -0.08 0.00 -1.51 0.00 0.00 37.83 33.43 2p0p s LYS 61 CO -0.07 -0.16 1.33 0.99 -0.36 0.00 0.00 175.35 177.08 2p0p s THR 62 N 1.21 3.38 0.01 3.43 2.01 -1.26 -0.43 115.64 123.99 2p0p s THR 62 Ca 0.02 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.07 2p0p s THR 62 Cb -0.14 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2p0p s THR 62 CO -0.08 0.11 -0.02 0.68 -0.69 0.00 0.00 174.62 174.61 2p0p s VAL 63 N 0.70 0.10 -0.30 3.82 -7.23 -0.09 -0.95 120.40 116.45 2p0p s VAL 63 Ca 0.61 -0.63 -0.15 0.00 -1.81 0.00 0.00 61.98 60.00 2p0p s VAL 63 Cb -0.36 -0.20 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 2p0p s VAL 63 CO 0.33 -0.33 0.35 -0.70 -0.31 0.00 0.00 175.10 174.44 2p0p s GLU 64 N -1.00 3.82 -0.50 4.82 2.12 -0.30 -0.85 118.70 126.80 2p0p s GLU 64 Ca -0.11 -0.19 -0.24 0.00 0.36 0.00 0.00 54.97 54.80 2p0p s GLU 64 Cb -0.07 -3.72 0.04 0.00 0.26 0.00 0.00 34.13 30.64 2p0p s GLU 64 CO -0.01 -0.37 0.87 0.08 -0.54 0.00 0.00 175.26 175.29 2p0p s VAL 65 N 2.02 4.52 0.21 3.70 1.01 0.65 -0.80 120.40 131.71 2p0p s VAL 65 Ca 0.13 0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.56 2p0p s VAL 65 Cb -0.16 -4.44 -0.08 0.00 0.00 0.00 0.00 36.38 31.71 2p0p s VAL 65 CO 0.11 -0.92 1.51 -0.07 0.00 0.00 0.00 175.10 175.72 2p0p h LEU 66 N 10.55 0.00 0.00 3.92 3.38 -1.19 -0.83 115.31 131.15 2p0p h LEU 66 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2p0p h LEU 66 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2p0p h LEU 66 CO 1.03 0.73 0.00 0.61 0.09 0.00 0.00 178.44 180.90 2p0p n GLY 67 N 0.63 -0.32 3.74 0.83 0.00 -1.25 -4.10 105.19 104.72 2p0p n GLY 67 Ca -0.01 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.94 2.63 1.05 1.61 -1.94 -1.26 -0.88 119.30 118.57 2p0p s MET 68 Ca 0.00 1.84 -0.12 0.00 -1.71 0.00 0.00 55.69 55.70 2p0p s MET 68 Cb 0.00 -1.88 0.22 0.00 2.01 0.00 0.00 34.83 35.17 2p0p s MET 68 CO 0.00 -1.47 1.07 0.00 -0.01 0.00 0.00 175.02 174.60 2p0p s ALA 69 N -1.70 0.48 0.67 3.03 0.00 -0.24 -4.37 121.76 119.63 2p0p s ALA 69 Ca 0.77 -0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 2p0p s ALA 69 Cb -0.31 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2p0p s ALA 69 CO 0.38 -3.18 0.49 -2.30 0.00 0.00 0.00 175.76 171.15 2p0p n PRO 70 N -4.44 0.36 0.21 0.00 -0.02 -1.26 -4.74 135.00 125.10 2p0p n PRO 70 Ca 0.05 0.16 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 2p0p n PRO 70 Cb 0.55 -1.76 0.72 0.00 -0.02 0.00 0.00 33.50 33.00 2p0p n PRO 70 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2p0p h ASP 71 N -0.17 0.00 0.25 2.55 2.03 -1.94 -0.57 116.42 118.57 2p0p h ASP 71 Ca -0.45 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.80 2p0p h ASP 71 Cb 1.37 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.86 2p0p h ASP 71 CO 0.44 0.00 -0.20 -0.78 -1.03 0.00 0.00 179.24 177.66 2p0p h ASP 72 N 0.00 0.00 0.17 4.15 3.58 -2.01 -2.28 116.42 120.02 2p0p h ASP 72 Ca 0.06 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.25 2p0p h ASP 72 Cb 0.26 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.32 2p0p h ASP 72 CO -0.00 0.20 -1.18 -0.33 -2.88 0.00 0.00 179.24 175.06 2p0p h GLU 73 N 0.00 0.35 -0.84 0.28 4.39 -1.49 -3.36 114.58 113.91 2p0p h GLU 73 Ca -0.00 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.10 2p0p h GLU 73 Cb 0.38 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2p0p h GLU 73 CO 0.03 1.29 0.00 0.00 -1.16 0.00 0.00 179.01 179.16 2p0p h LEU 75 N 0.18 0.00 0.00 0.00 7.12 -1.63 -3.38 115.31 117.60 2p0p h LEU 75 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2p0p h LEU 75 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 2p0p h LEU 75 CO 0.00 0.00 0.00 2.29 -0.13 0.00 0.00 178.44 180.60 2p0p n LYS 76 N -2.38 3.14 -3.65 1.25 2.85 -1.26 -4.53 118.16 113.58 2p0p n LYS 76 Ca 0.03 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.14 2p0p n LYS 76 Cb 0.28 -0.26 -0.07 0.00 -0.65 0.00 0.00 35.03 34.33 2p0p n LYS 76 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2p0p s ASP 77 N 0.00 -0.36 -0.18 -5.58 2.15 -1.26 -4.99 116.67 106.45 2p0p s ASP 77 Ca 0.00 0.20 -0.22 0.00 0.43 0.00 0.00 52.55 52.96 2p0p s ASP 77 Cb 0.00 0.43 -0.02 0.00 -0.30 0.00 0.00 42.92 43.02 2p0p s ASP 77 CO 0.00 -0.60 0.68 -0.04 -0.17 0.00 0.00 175.17 175.04 2p0p s MET 78 N -1.87 4.26 0.14 4.34 -1.94 -1.26 -4.21 119.30 118.76 2p0p s MET 78 Ca -0.09 0.74 0.07 0.00 -1.71 0.00 0.00 55.69 54.70 2p0p s MET 78 Cb -0.02 -3.56 -0.04 0.00 2.01 0.00 0.00 34.83 33.22 2p0p s MET 78 CO 0.02 -0.22 -0.16 0.71 -0.01 0.00 0.00 175.02 175.36 2p0p s TYR 79 N 1.83 1.62 0.02 -0.03 2.02 -1.26 -1.18 117.35 120.36 2p0p s TYR 79 Ca 0.32 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2p0p s TYR 79 Cb -0.16 -0.83 -0.01 0.00 -0.40 0.00 0.00 41.96 40.56 2p0p s TYR 79 CO 0.12 0.23 -0.06 0.14 -1.57 0.00 0.00 175.55 174.41 2p0p s VAL 80 N -2.03 0.44 0.29 0.71 -7.23 0.04 -1.08 120.40 111.54 2p0p s VAL 80 Ca 0.12 -0.61 -0.28 0.00 -1.81 0.00 0.00 61.98 59.40 2p0p s VAL 80 Cb -0.06 -0.44 -0.09 0.00 0.56 0.00 0.00 36.38 36.35 2p0p s VAL 80 CO 0.05 -0.12 0.99 -1.61 -0.31 0.00 0.00 175.10 174.09 2p0p s GLU 81 N -0.79 4.66 -0.07 4.82 2.02 -0.06 -0.73 118.70 128.55 2p0p s GLU 81 Ca -0.04 1.52 -0.06 0.00 0.02 0.00 0.00 54.97 56.42 2p0p s GLU 81 Cb -0.06 -3.05 0.02 0.00 0.10 0.00 0.00 34.13 31.15 2p0p s GLU 81 CO 0.00 0.31 0.18 0.08 0.02 0.00 0.00 175.26 175.85 2p0p s VAL 82 N -1.35 -0.01 -0.10 2.63 1.01 -0.12 -0.76 120.40 121.71 2p0p s VAL 82 Ca 0.46 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 2p0p s VAL 82 Cb -0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2p0p s VAL 82 CO 0.31 0.01 -0.08 0.00 0.00 0.00 0.00 175.10 175.35 2p0p s ALA 83 N 0.30 2.90 -1.46 5.51 0.00 0.02 -0.41 121.76 128.62 2p0p s ALA 83 Ca -0.02 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 2p0p s ALA 83 Cb -0.03 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.84 2p0p s ALA 83 CO -0.01 0.43 2.45 -3.47 0.00 0.00 0.00 175.76 175.17 2p0p n ASP 84 N 2.75 6.56 0.31 0.00 2.03 -1.08 -1.15 116.55 125.96 2p0p n ASP 84 Ca -0.18 -2.85 0.19 0.00 0.52 0.00 0.00 54.79 52.47 2p0p n ASP 84 Cb 0.53 -1.54 1.01 0.00 -0.72 0.00 0.00 41.12 40.40 2p0p n ASP 84 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2p0p h ILE 85 N 3.35 0.00 -0.01 5.18 3.07 -1.84 0.23 117.51 127.49 2p0p h ILE 85 Ca 0.67 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.08 2p0p h ILE 85 Cb 0.45 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 37.82 2p0p h ILE 85 CO 1.73 0.00 -0.07 0.61 -1.05 0.00 0.00 178.15 179.37 2p0p n GLY 86 N -1.15 -0.71 0.00 0.16 0.00 -0.13 -4.71 105.19 98.66 2p0p n GLY 86 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.20 0.21 0.32 -0.02 0.00 -0.17 -4.83 105.19 101.90 2p0p n GLY 87 Ca 0.17 0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.47 2p0p n GLY 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p0p h LYS 88 N 0.00 0.63 0.00 1.61 1.79 -1.79 -3.46 116.57 115.35 2p0p h LYS 88 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2p0p h LYS 88 Cb 0.00 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 2p0p h LYS 88 CO 0.00 0.42 0.00 -3.47 -1.08 0.00 0.00 179.45 175.32 2p0p n ASP 89 N -4.46 0.00 -0.10 0.86 2.03 0.64 -4.38 116.55 111.14 2p0p n ASP 89 Ca 0.04 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.37 2p0p n ASP 89 Cb 0.05 -0.25 0.04 0.00 -0.72 0.00 0.00 41.12 40.24 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 0.02 2.19 -4.24 1.67 2.03 -1.26 -4.74 116.55 112.21 2p0p n ASP 90 Ca 0.00 -2.13 -0.13 0.00 0.52 0.00 0.00 54.79 53.04 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 -1.21 1.40 0.04 1.67 2.15 -1.26 -5.10 116.67 114.36 2p0p s ASP 91 Ca 0.07 -1.11 0.03 0.00 0.43 0.00 0.00 52.55 51.97 2p0p s ASP 91 Cb 0.05 0.07 -0.02 0.00 -0.30 0.00 0.00 42.92 42.72 2p0p s ASP 91 CO 0.02 -0.49 -0.09 0.54 -0.17 0.00 0.00 175.17 174.99 2p0p s VAL 92 N -3.55 0.62 0.19 1.11 0.11 -1.26 -2.64 120.40 114.97 2p0p s VAL 92 Ca 0.20 -1.03 0.04 0.00 -2.93 0.00 0.00 61.98 58.27 2p0p s VAL 92 Cb 0.05 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2p0p s VAL 92 CO 0.02 -0.30 0.14 -1.22 -3.33 0.00 0.00 175.10 170.41 2p0p n TYR 93 N 1.59 -0.35 -4.86 1.54 4.01 0.46 -4.99 117.16 114.55 2p0p n TYR 93 Ca -0.22 -1.50 -0.30 0.00 -0.16 0.00 0.00 57.90 55.72 2p0p n TYR 93 Cb 0.55 0.13 -0.14 0.00 -0.31 0.00 0.00 39.34 39.57 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 -2.67 2.28 0.07 -0.72 2.01 -1.26 -0.95 115.64 114.40 2p0p s THR 94 Ca 0.20 -1.34 0.04 0.00 0.31 0.00 0.00 61.69 60.89 2p0p s THR 94 Cb 0.01 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2p0p s THR 94 CO 0.14 0.37 -0.11 0.00 -0.69 0.00 0.00 174.62 174.33 2p0p s ALA 95 N -0.83 0.95 0.11 7.40 0.00 0.09 -4.93 121.76 124.55 2p0p s ALA 95 Ca 0.12 -1.00 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 2p0p s ALA 95 Cb -0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 23.12 22.95 2p0p s ALA 95 CO 0.03 0.03 1.26 0.15 0.00 0.00 0.00 175.76 177.23 2p0p s LYS 96 N -2.10 4.40 0.40 0.00 3.01 -1.26 -0.78 119.74 123.41 2p0p s LYS 96 Ca -0.02 1.90 0.07 0.00 -1.01 0.00 0.00 55.97 56.91 2p0p s LYS 96 Cb -0.07 -3.29 0.84 0.00 -1.01 0.00 0.00 37.83 34.30 2p0p s LYS 96 CO 0.01 -0.29 2.03 1.25 0.51 0.00 0.00 175.35 178.86 2p0p h LEU 97 N 6.47 0.43 -1.67 3.17 5.85 -1.46 -1.60 115.31 126.49 2p0p h LEU 97 Ca -0.42 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2p0p h LEU 97 Cb 1.21 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2p0p h LEU 97 CO 0.82 0.36 0.17 0.28 -0.34 0.00 0.00 178.44 179.72 2p0p h SER 98 N 0.49 0.00 -0.10 1.25 0.02 -1.91 -2.51 113.55 110.79 2p0p h SER 98 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2p0p h SER 98 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2p0p h SER 98 CO -0.02 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.00 2p0p n ASP 99 N -2.49 2.58 -4.35 3.07 2.03 -0.60 -5.01 116.55 111.78 2p0p n ASP 99 Ca -0.02 -2.55 -0.24 0.00 0.52 0.00 0.00 54.79 52.51 2p0p n ASP 99 Cb 0.20 -0.27 -0.12 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.95 1.98 -0.18 5.18 1.01 -0.95 -1.23 121.20 125.05 2p0p s ILE 100 Ca 0.22 -1.88 0.01 0.00 0.00 0.00 0.00 60.65 58.99 2p0p s ILE 100 Cb 0.17 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.78 2p0p s ILE 100 CO 0.05 -0.20 -0.18 -0.70 0.00 0.00 0.00 174.94 173.91 2p0p s GLU 101 N -2.59 2.74 0.25 2.79 2.12 -0.08 -4.91 118.70 119.02 2p0p s GLU 101 Ca 0.16 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 2p0p s GLU 101 Cb -0.07 -2.49 -0.09 0.00 0.26 0.00 0.00 34.13 31.73 2p0p s GLU 101 CO 0.07 -0.26 0.98 0.00 -0.54 0.00 0.00 175.26 175.52 2p0p s ALA 102 N 1.32 3.36 0.00 6.30 0.00 -1.26 -0.54 121.76 130.93 2p0p s ALA 102 Ca 0.04 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.73 2p0p s ALA 102 Cb -0.14 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2p0p s ALA 102 CO -0.12 0.11 -0.13 0.42 0.00 0.00 0.00 175.76 176.04 2p0p s ILE 103 N -1.18 1.02 -1.67 0.00 1.01 -0.25 -4.82 121.20 115.31 2p0p s ILE 103 Ca 0.42 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.43 2p0p s ILE 103 Cb -0.28 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2p0p s ILE 103 CO 0.34 0.22 0.00 -0.67 0.00 0.00 0.00 174.94 174.83 2p0p n ASP 104 N 2.57 -4.79 -4.88 3.58 2.03 -1.26 -3.73 116.55 110.07 2p0p n ASP 104 Ca -0.15 0.26 -0.30 0.00 0.52 0.00 0.00 54.79 55.12 2p0p n ASP 104 Cb 0.55 -4.17 0.04 0.00 -0.72 0.00 0.00 41.12 36.82 2p0p n ASP 104 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2p0p s VAL 105 N -2.65 3.73 0.68 5.18 -7.23 -1.26 -4.88 120.40 113.97 2p0p s VAL 105 Ca 0.00 0.56 -0.13 0.00 -1.81 0.00 0.00 61.98 60.59 2p0p s VAL 105 Cb 0.00 -3.56 0.01 0.00 0.56 0.00 0.00 36.38 33.39 2p0p s VAL 105 CO 0.00 -0.73 1.09 -0.62 -0.31 0.00 0.00 175.10 174.52 2p0p s ASP 106 N -4.32 5.13 0.22 4.85 2.15 -1.26 -4.84 116.67 118.60 2p0p s ASP 106 Ca 0.57 1.85 -0.08 0.00 0.43 0.00 0.00 52.55 55.33 2p0p s ASP 106 Cb -0.11 -2.53 0.28 0.00 -0.30 0.00 0.00 42.92 40.26 2p0p s ASP 106 CO 0.52 -1.61 1.80 -0.78 -0.17 0.00 0.00 175.17 174.93 2p0p h ASP 107 N -0.31 0.56 0.78 -0.34 3.58 -1.98 0.66 116.42 119.37 2p0p h ASP 107 Ca -0.45 0.04 -0.14 0.00 0.42 0.00 0.00 57.03 56.89 2p0p h ASP 107 Cb 1.23 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2p0p h ASP 107 CO 0.54 0.35 -0.66 -0.78 -2.88 0.00 0.00 179.24 175.81 2p0p h ASP 108 N 0.70 0.00 0.02 2.28 3.58 -1.93 0.26 116.42 121.32 2p0p h ASP 108 Ca 0.32 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.77 2p0p h ASP 108 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2p0p h ASP 108 CO -0.21 0.66 -0.01 0.74 -2.88 0.00 0.00 179.24 177.54 2p0p h THR 109 N 0.00 1.28 -0.26 2.25 2.02 -1.64 -1.98 112.91 114.58 2p0p h THR 109 Ca -0.01 -0.94 0.03 0.00 0.77 0.00 0.00 66.41 66.26 2p0p h THR 109 Cb 1.23 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 69.52 2p0p h THR 109 CO 0.09 0.24 0.08 -0.61 0.37 0.00 0.00 175.52 175.69 2p0p h GLN 110 N -0.44 0.19 -0.41 6.66 -0.00 -0.69 -2.28 115.11 118.15 2p0p h GLN 110 Ca -0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.59 2p0p h GLN 110 Cb 0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.84 2p0p h GLN 110 CO 0.01 0.13 0.05 0.93 0.00 0.00 0.00 178.83 179.94 2p0p h GLU 111 N 0.20 0.62 -0.53 1.69 4.39 -0.97 0.82 114.58 120.81 2p0p h GLU 111 Ca 0.12 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 2p0p h GLU 111 Cb 0.09 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2p0p h GLU 111 CO -0.12 0.61 0.03 0.00 -1.16 0.00 0.00 179.01 178.37 2p0p h ALA 112 N 1.46 0.71 -0.29 3.43 0.00 -0.96 0.38 119.26 123.98 2p0p h ALA 112 Ca 0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2p0p h ALA 112 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2p0p h ALA 112 CO 0.01 0.49 -0.03 0.82 0.00 0.00 0.00 179.25 180.54 2p0p h ILE 113 N 0.78 1.27 -0.73 0.00 2.04 -0.86 -1.64 117.51 118.37 2p0p h ILE 113 Ca 0.15 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 65.03 2p0p h ILE 113 Cb 0.48 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2p0p h ILE 113 CO 0.02 0.32 0.46 0.00 0.00 0.00 0.00 178.15 178.96 2p0p h ALA 114 N 0.81 0.94 -0.58 1.87 0.00 -0.72 -1.17 119.26 120.41 2p0p h ALA 114 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2p0p h ALA 114 Cb 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2p0p h ALA 114 CO 0.02 0.27 0.02 0.22 0.00 0.00 0.00 179.25 179.78 2p0p h ASP 115 N 0.92 0.96 -0.10 0.00 3.58 -0.71 0.50 116.42 121.56 2p0p h ASP 115 Ca 0.28 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2p0p h ASP 115 Cb -0.02 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 2p0p h ASP 115 CO -0.10 1.00 0.07 -0.25 -2.88 0.00 0.00 179.24 177.09 2p0p h TRP 116 N 0.91 0.13 -0.44 0.28 2.91 -0.96 0.01 115.95 118.79 2p0p h TRP 116 Ca 0.17 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.19 2p0p h TRP 116 Cb 0.51 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.09 2p0p h TRP 116 CO 0.03 0.09 0.27 -0.07 -1.03 0.00 0.00 178.44 177.72 2p0p h LEU 117 N 0.14 0.53 -0.28 0.65 3.38 -0.70 -0.39 115.31 118.64 2p0p h LEU 117 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2p0p h LEU 117 Cb -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2p0p h LEU 117 CO -0.01 0.43 0.13 1.88 0.09 0.00 0.00 178.44 180.96 2p0p h TYR 118 N 0.58 0.41 -0.54 1.13 0.05 -0.84 -2.40 116.97 115.36 2p0p h TYR 118 Ca 0.16 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.95 2p0p h TYR 118 Cb -0.00 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 2p0p h TYR 118 CO -0.03 0.38 0.30 2.35 -1.05 0.00 0.00 178.16 180.12 2p0p h TRP 119 N 0.32 0.56 -0.58 4.88 2.91 -0.58 0.15 115.95 123.61 2p0p h TRP 119 Ca 0.10 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 2p0p h TRP 119 Cb 0.13 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.58 2p0p h TRP 119 CO -0.02 0.30 0.18 1.25 -1.03 0.00 0.00 178.44 179.12 2p0p h LEU 120 N 0.59 0.84 -0.54 0.65 5.85 -0.91 -1.29 115.31 120.51 2p0p h LEU 120 Ca 0.23 -0.21 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 2p0p h LEU 120 Cb 0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2p0p h LEU 120 CO -0.13 0.83 -0.51 0.00 -0.34 0.00 0.00 178.44 178.28 2p0p h ALA 121 N 1.05 0.72 -0.14 1.25 0.00 -1.18 -2.99 119.26 117.96 2p0p h ALA 121 Ca 0.19 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2p0p h ALA 121 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2p0p h ALA 121 CO -0.01 0.68 0.03 -0.09 0.00 0.00 0.00 179.25 179.86 2p0p h ARG 122 N 0.45 0.20 0.00 0.00 9.65 -0.22 -0.14 114.38 124.32 2p0p h ARG 122 Ca 0.02 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2p0p h ARG 122 Cb 1.05 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 2p0p h ARG 122 CO 0.10 0.19 0.00 0.41 2.80 0.00 0.00 179.97 183.47 2p0p n GLY 123 N -1.33 3.44 3.56 2.80 0.00 -0.53 -4.47 105.19 108.65 2p0p n GLY 123 Ca -0.01 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2p0p n GLY 123 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2p0p n TYR 124 N 0.00 3.73 -0.49 1.61 9.36 -1.21 -4.60 117.16 125.57 2p0p n TYR 124 Ca 0.00 -2.21 0.00 0.00 3.32 0.00 0.00 57.90 59.01 2p0p n TYR 124 Cb 0.00 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.09 2p0p n TYR 124 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2p0p n LYS 125 N 8.28 0.96 0.00 2.98 4.76 -1.26 -5.18 118.16 128.69 2p0p n LYS 125 Ca 0.47 -0.80 0.04 0.00 -2.87 0.00 0.00 58.31 55.15 2p0p n LYS 125 Cb 0.46 -0.76 0.21 0.00 -1.84 0.00 0.00 35.03 33.10 2p0p n LYS 125 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00