#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 1.01 -0.08 -5.12 0.00 -1.82 -3.23 119.26 110.01 2p0p h ALA 2 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2p0p h ALA 2 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2p0p h ALA 2 CO 0.00 0.18 0.18 0.77 0.00 0.00 0.00 179.25 180.38 2p0p h SER 3 N 0.00 0.00 0.10 0.00 0.02 -1.97 -1.81 113.55 109.89 2p0p h SER 3 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2p0p h SER 3 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2p0p h SER 3 CO 0.02 0.00 0.00 -0.37 -1.14 0.00 0.00 176.83 175.34 2p0p h VAL 4 N 0.00 0.00 0.00 2.27 -1.51 -1.94 -1.81 116.25 113.26 2p0p h VAL 4 Ca 0.04 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2p0p h VAL 4 Cb 0.40 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2p0p h VAL 4 CO -0.00 0.00 0.06 -0.08 -1.23 0.00 0.00 177.57 176.32 2p0p h GLU 5 N 0.00 0.00 -0.32 5.19 4.81 -1.65 -1.80 114.58 120.81 2p0p h GLU 5 Ca 0.00 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2p0p h GLU 5 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2p0p h GLU 5 CO 0.00 0.00 0.36 0.07 -0.73 0.00 0.00 179.01 178.71 2p0p h ARG 6 N 0.00 0.00 -4.02 1.92 0.11 -1.58 -3.25 114.38 107.56 2p0p h ARG 6 Ca 0.00 0.00 -0.70 0.00 0.10 0.00 0.00 59.98 59.38 2p0p h ARG 6 Cb 0.12 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.18 2p0p h ARG 6 CO 0.00 0.00 3.04 -3.47 0.10 0.00 0.00 179.97 179.64 2p0p n ASP 7 N -3.74 3.92 0.27 0.08 -0.08 -0.68 -4.73 116.55 111.60 2p0p n ASP 7 Ca 0.05 -2.80 0.12 0.00 -1.51 0.00 0.00 54.79 50.66 2p0p n ASP 7 Cb 0.51 -1.57 0.78 0.00 2.34 0.00 0.00 41.12 43.18 2p0p n ASP 7 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2p0p h GLU 8 N 6.24 0.00 -0.17 -0.67 4.11 -1.86 -1.88 114.58 120.35 2p0p h GLU 8 Ca 0.56 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.99 2p0p h GLU 8 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2p0p h GLU 8 CO 1.89 0.05 0.09 1.15 0.07 0.00 0.00 179.01 182.26 2p0p h THR 9 N 0.00 1.11 -0.75 -1.06 2.02 -1.93 -0.26 112.91 112.05 2p0p h THR 9 Ca -0.00 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 2p0p h THR 9 Cb 0.12 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2p0p h THR 9 CO 0.01 0.11 0.28 -0.09 0.37 0.00 0.00 175.52 176.19 2p0p h ARG 10 N 0.16 1.13 -0.26 6.66 9.65 -1.77 0.10 114.38 130.06 2p0p h ARG 10 Ca 0.06 -0.22 0.02 0.00 -1.10 0.00 0.00 59.98 58.74 2p0p h ARG 10 Cb 0.10 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 2p0p h ARG 10 CO -0.01 0.94 0.09 0.93 2.80 0.00 0.00 179.97 184.73 2p0p h GLU 11 N 1.09 0.21 -0.22 0.20 4.39 -1.20 0.45 114.58 119.49 2p0p h GLU 11 Ca 0.25 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2p0p h GLU 11 Cb 0.25 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2p0p h GLU 11 CO -0.02 0.14 0.14 1.25 -1.16 0.00 0.00 179.01 179.36 2p0p h HIS 12 N 0.21 0.26 -0.22 4.33 -0.00 -0.66 -2.32 115.15 116.77 2p0p h HIS 12 Ca 0.11 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.38 2p0p h HIS 12 Cb 0.07 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2p0p h HIS 12 CO -0.12 0.16 -0.31 0.00 -0.00 0.00 0.00 177.93 177.66 2p0p h ARG 13 N 0.28 0.59 -0.60 5.26 2.47 -0.43 -1.20 114.38 120.76 2p0p h ARG 13 Ca 0.08 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 2p0p h ARG 13 Cb -0.02 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 2p0p h ARG 13 CO -0.03 0.95 0.32 0.97 0.56 0.00 0.00 179.97 182.74 2p0p h ILE 14 N 0.27 1.20 -0.76 2.04 2.10 -0.94 -0.33 117.51 121.09 2p0p h ILE 14 Ca 0.02 -0.51 -0.03 0.00 1.08 0.00 0.00 64.86 65.43 2p0p h ILE 14 Cb 0.89 0.44 -0.04 0.00 -1.09 0.00 0.00 36.82 37.02 2p0p h ILE 14 CO 0.07 0.22 0.35 -0.08 -1.08 0.00 0.00 178.15 177.63 2p0p h GLU 15 N 0.81 1.09 -0.01 2.19 4.81 -1.31 -0.84 114.58 121.33 2p0p h GLU 15 Ca 0.21 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2p0p h GLU 15 Cb 0.06 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2p0p h GLU 15 CO -0.03 0.85 -0.57 0.25 -0.73 0.00 0.00 179.01 178.78 2p0p n THR 16 N -4.31 0.00 0.00 0.32 -2.24 -0.46 -2.87 114.28 104.71 2p0p n THR 16 Ca 0.07 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2p0p n THR 16 Cb 0.15 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 2p0p n THR 16 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2p0p n GLU 17 N -0.78 1.78 -0.03 -0.78 2.13 -0.18 -4.73 120.64 118.05 2p0p n GLU 17 Ca 0.08 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.86 2p0p n GLU 17 Cb 0.38 -0.63 -0.04 0.00 0.27 0.00 0.00 31.44 31.42 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2p0p n ILE 18 N -0.79 0.40 -1.32 6.31 5.41 -0.37 -4.69 119.36 124.31 2p0p n ILE 18 Ca 0.00 -0.20 0.07 0.00 1.00 0.00 0.00 62.75 63.62 2p0p n ILE 18 Cb 0.10 -0.80 0.10 0.00 -0.71 0.00 0.00 39.64 38.33 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 -2.47 1.30 -0.23 1.39 -0.00 -0.90 -4.36 119.36 114.10 2p0p n ILE 19 Ca -0.11 -1.56 0.07 0.00 -0.00 0.00 0.00 62.75 61.15 2p0p n ILE 19 Cb 0.66 0.00 0.33 0.00 -0.00 0.00 0.00 39.64 40.64 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 2.08 0.99 0.00 7.28 3.04 -1.72 -1.64 116.25 126.28 2p0p h VAL 20 Ca 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2p0p h VAL 20 Cb 1.11 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2p0p h VAL 20 CO 0.00 0.15 0.00 -0.78 -1.01 0.00 0.00 177.57 175.93 2p0p h ASP 21 N 0.80 0.00 -3.97 3.17 3.58 -1.88 -3.47 116.42 114.65 2p0p h ASP 21 Ca 0.36 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.33 2p0p h ASP 21 Cb 0.35 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.42 2p0p h ASP 21 CO -0.14 0.00 0.41 0.00 -2.88 0.00 0.00 179.24 176.64 2p0p s ALA 22 N -3.23 3.07 0.00 -0.78 0.00 -0.62 -4.94 121.76 115.26 2p0p s ALA 22 Ca 0.07 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2p0p s ALA 22 Cb 0.08 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2p0p s ALA 22 CO 0.63 -0.24 0.00 0.39 0.00 0.00 0.00 175.76 176.53 2p0p n GLU 23 N -0.16 3.03 -4.50 0.00 -0.58 -1.26 -4.98 120.64 112.19 2p0p n GLU 23 Ca 0.05 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.50 2p0p n GLU 23 Cb 0.50 -0.73 -0.13 0.00 -0.57 0.00 0.00 31.44 30.50 2p0p n GLU 23 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2p0p s ASP 24 N -0.98 3.26 0.57 1.62 -1.08 -1.26 -5.04 116.67 113.76 2p0p s ASP 24 Ca 0.00 -0.71 0.27 0.00 -0.52 0.00 0.00 52.55 51.59 2p0p s ASP 24 Cb 0.00 -0.23 1.52 0.00 -1.46 0.00 0.00 42.92 42.75 2p0p s ASP 24 CO 0.00 0.19 2.03 0.07 0.52 0.00 0.00 175.17 177.98 2p0p h LYS 25 N 4.08 0.00 -0.38 4.34 -0.00 -1.98 -0.63 116.57 122.00 2p0p h LYS 25 Ca -0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.04 2p0p h LYS 25 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.38 2p0p h LYS 25 CO 0.40 0.00 -0.19 0.93 -0.00 0.00 0.00 179.45 180.59 2p0p h GLU 26 N 0.00 0.80 -0.39 0.07 5.08 -1.97 -2.31 114.58 115.87 2p0p h GLU 26 Ca 0.16 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 2p0p h GLU 26 Cb 0.76 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2p0p h GLU 26 CO -0.00 0.98 -0.14 0.93 -1.00 0.00 0.00 179.01 179.78 2p0p h GLU 27 N 0.60 0.70 -0.63 2.33 5.08 -1.54 -1.28 114.58 119.85 2p0p h GLU 27 Ca 0.09 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2p0p h GLU 27 Cb 0.74 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2p0p h GLU 27 CO 0.06 0.81 0.32 -0.09 -1.00 0.00 0.00 179.01 179.10 2p0p h ARG 28 N 0.63 0.57 -0.53 2.33 1.12 -1.28 0.54 114.38 117.76 2p0p h ARG 28 Ca 0.11 -0.03 -0.10 0.00 -1.11 0.00 0.00 59.98 58.84 2p0p h ARG 28 Cb 0.59 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.41 2p0p h ARG 28 CO 0.04 0.37 -0.08 0.00 -3.11 0.00 0.00 179.97 177.19 2p0p h ALA 29 N 1.35 0.85 -0.62 2.80 0.00 -0.74 -2.17 119.26 120.74 2p0p h ALA 29 Ca 0.29 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2p0p h ALA 29 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2p0p h ALA 29 CO -0.21 0.65 0.08 0.52 0.00 0.00 0.00 179.25 180.29 2p0p h MET 30 N 0.87 1.02 0.09 0.00 2.86 -0.80 0.32 114.93 119.29 2p0p h MET 30 Ca 0.14 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2p0p h MET 30 Cb 0.63 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2p0p h MET 30 CO 0.04 0.95 -0.08 0.78 1.06 0.00 0.00 176.91 179.66 2p0p h GLY 31 N 1.03 -0.17 0.49 8.32 0.00 -0.60 0.14 103.07 112.28 2p0p h GLY 31 Ca 0.19 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.67 2p0p h GLY 31 CO 0.02 -0.09 -0.01 1.49 0.00 0.00 0.00 176.54 177.94 2p0p h TRP 32 N -0.19 -0.04 -0.44 5.60 4.06 -1.30 -2.72 115.95 120.93 2p0p h TRP 32 Ca 0.00 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.02 2p0p h TRP 32 Cb 0.18 0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 2p0p h TRP 32 CO -0.11 -0.07 0.20 -0.92 -3.56 0.00 0.00 178.44 173.99 2p0p h TYR 33 N 0.07 0.36 0.11 0.49 5.03 -0.46 -1.82 116.97 120.76 2p0p h TYR 33 Ca 0.15 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 2p0p h TYR 33 Cb 0.20 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.39 2p0p h TYR 33 CO -0.24 0.17 -0.05 1.88 -1.32 0.00 0.00 178.16 178.60 2p0p h TYR 34 N 0.40 -0.14 -0.35 -3.82 0.05 -0.43 0.63 116.97 113.32 2p0p h TYR 34 Ca 0.19 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.84 2p0p h TYR 34 Cb 0.13 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 2p0p h TYR 34 CO -0.12 0.09 -0.30 0.10 -1.05 0.00 0.00 178.16 176.89 2p0p h TYR 35 N -0.35 0.86 0.03 4.88 -0.00 -1.50 -1.81 116.97 119.08 2p0p h TYR 35 Ca -0.01 -0.22 -0.00 0.00 -0.00 0.00 0.00 58.73 58.50 2p0p h TYR 35 Cb 0.29 -0.20 0.00 0.00 -0.00 0.00 0.00 36.73 36.82 2p0p h TYR 35 CO -0.01 0.95 -0.02 1.25 -0.00 0.00 0.00 178.16 180.34 2p0p h LEU 36 N 0.63 -0.04 -0.85 0.10 5.85 -1.13 -0.97 115.31 118.90 2p0p h LEU 36 Ca 0.07 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2p0p h LEU 36 Cb 0.82 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 2p0p h LEU 36 CO 0.07 0.18 0.56 -0.78 -0.34 0.00 0.00 178.44 178.12 2p0p h ASP 37 N -0.25 0.94 0.43 1.25 3.58 -0.84 0.68 116.42 122.20 2p0p h ASP 37 Ca -0.00 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 2p0p h ASP 37 Cb 0.23 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2p0p h ASP 37 CO 0.01 0.67 -0.17 -0.78 -2.88 0.00 0.00 179.24 176.08 2p0p h ASP 38 N 1.11 0.00 0.14 2.28 3.58 -1.16 -3.26 116.42 119.11 2p0p h ASP 38 Ca 0.33 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.42 2p0p h ASP 38 Cb -0.06 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2p0p h ASP 38 CO -0.09 0.17 -2.10 0.41 -2.88 0.00 0.00 179.24 174.75 2p0p n THR 39 N -3.71 1.66 -1.68 2.25 -1.04 -0.38 -4.91 114.28 106.46 2p0p n THR 39 Ca -0.02 -0.67 -0.43 0.00 -2.04 0.00 0.00 64.05 60.89 2p0p n THR 39 Cb 0.28 -1.46 -0.03 0.00 -1.82 0.00 0.00 70.33 67.30 2p0p n THR 39 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2p0p n LEU 40 N -3.31 3.94 -2.13 -4.42 4.77 0.11 -4.46 117.00 111.50 2p0p n LEU 40 Ca -0.33 0.98 -0.13 0.00 -0.03 0.00 0.00 56.01 56.50 2p0p n LEU 40 Cb 1.04 -1.51 -0.15 0.00 -2.33 0.00 0.00 43.42 40.47 2p0p n LEU 40 CO 0.39 0.12 1.68 1.21 -1.33 0.00 0.00 177.39 179.46 2p0p n GLU 41 N 5.92 1.99 -1.91 3.23 4.07 -1.26 -4.95 120.64 127.73 2p0p n GLU 41 Ca 0.19 -1.02 -0.33 0.00 -0.06 0.00 0.00 57.16 55.93 2p0p n GLU 41 Cb 0.36 -2.03 0.03 0.00 -0.06 0.00 0.00 31.44 29.75 2p0p n GLU 41 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 2p0p s PHE 42 N 1.22 2.69 0.57 4.31 -0.12 -1.26 -4.16 117.98 121.24 2p0p s PHE 42 Ca 0.63 1.54 -0.19 0.00 -0.05 0.00 0.00 56.93 58.87 2p0p s PHE 42 Cb 0.29 -3.17 -0.04 0.00 -0.63 0.00 0.00 43.02 39.47 2p0p s PHE 42 CO -0.00 -1.57 1.14 -1.25 -0.05 0.00 0.00 175.22 173.49 2p0p s PRO 43 N -3.92 3.19 0.08 1.99 0.04 -1.26 -5.03 135.00 130.09 2p0p s PRO 43 Ca 0.68 1.63 0.02 0.00 0.04 0.00 0.00 61.00 63.36 2p0p s PRO 43 Cb -0.20 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 2p0p s PRO 43 CO 0.38 -0.99 0.06 1.97 0.04 0.00 0.00 177.00 178.46 2p0p n PHE 44 N -1.53 -0.15 -4.38 0.56 -1.74 -0.29 -5.00 117.46 104.93 2p0p n PHE 44 Ca 0.12 -0.65 -0.19 0.00 -0.56 0.00 0.00 57.45 56.18 2p0p n PHE 44 Cb 0.51 0.06 -0.10 0.00 1.52 0.00 0.00 39.48 41.46 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 -2.32 1.50 0.13 3.97 0.23 -1.24 -0.27 119.30 121.29 2p0p s MET 45 Ca 0.09 -1.81 -0.15 0.00 -1.03 0.00 0.00 55.69 52.79 2p0p s MET 45 Cb 0.00 -0.62 0.05 0.00 -1.53 0.00 0.00 34.83 32.73 2p0p s MET 45 CO 0.06 -0.19 0.73 0.41 -2.03 0.00 0.00 175.02 174.00 2p0p n GLY 46 N -0.55 0.80 3.16 3.16 0.00 -0.09 -1.04 105.19 110.63 2p0p n GLY 46 Ca -0.02 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 3.06 -0.49 1.61 2.47 0.22 -0.91 119.74 123.67 2p0p s LYS 47 Ca 0.16 -0.80 -0.29 0.00 -1.56 0.00 0.00 55.97 53.49 2p0p s LYS 47 Cb -0.02 -2.68 0.02 0.00 -1.46 0.00 0.00 37.83 33.69 2p0p s LYS 47 CO 0.04 -0.22 1.32 -0.46 0.16 0.00 0.00 175.35 176.19 2p0p s TRP 48 N 1.33 2.49 -0.04 4.03 -0.11 0.41 -0.96 118.94 126.09 2p0p s TRP 48 Ca 0.05 0.60 -0.05 0.00 1.22 0.00 0.00 56.10 57.92 2p0p s TRP 48 Cb -0.13 -4.39 -0.22 0.00 -1.50 0.00 0.00 33.47 27.23 2p0p s TRP 48 CO -0.11 -1.76 3.43 1.63 -4.62 0.00 0.00 176.95 175.52 2p0p n LYS 49 N 8.22 1.96 -1.66 5.86 4.76 -0.52 -1.47 118.16 135.32 2p0p n LYS 49 Ca 0.13 -1.05 -0.46 0.00 -2.87 0.00 0.00 58.31 54.06 2p0p n LYS 49 Cb 0.49 -1.94 -0.04 0.00 -1.84 0.00 0.00 35.03 31.70 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 2.27 2.37 -2.33 1.97 4.81 0.14 -4.54 118.16 122.84 2p0p n LYS 50 Ca 0.40 0.85 -0.41 0.00 -0.87 0.00 0.00 58.31 58.29 2p0p n LYS 50 Cb 0.85 -2.81 -0.03 0.00 0.02 0.00 0.00 35.03 33.06 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 4.48 4.52 0.16 1.64 1.02 -1.26 -0.29 119.74 130.00 2p0p s LYS 51 Ca 0.93 1.96 -0.10 0.00 0.02 0.00 0.00 55.97 58.78 2p0p s LYS 51 Cb -0.58 -3.16 -0.00 0.00 -0.52 0.00 0.00 37.83 33.57 2p0p s LYS 51 CO 0.47 0.02 0.31 0.45 -0.92 0.00 0.00 175.35 175.69 2p0p s SER 52 N -0.57 -0.00 0.48 2.83 0.15 0.26 -4.92 113.70 111.93 2p0p s SER 52 Ca 0.48 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2p0p s SER 52 Cb -0.35 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2p0p s SER 52 CO 0.44 -0.90 0.00 0.54 1.20 0.00 0.00 173.24 174.52 2p0p n ARG 53 N -0.22 -3.17 0.27 5.44 3.00 -1.26 -0.59 116.66 120.12 2p0p n ARG 53 Ca -0.09 2.35 0.11 0.00 -0.01 0.00 0.00 57.85 60.21 2p0p n ARG 53 Cb 0.63 -3.80 0.72 0.00 0.00 0.00 0.00 32.46 30.02 2p0p n ARG 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2p0p h LYS 54 N -1.41 0.00 0.00 5.56 1.79 -2.00 -1.85 116.57 118.66 2p0p h LYS 54 Ca -0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2p0p h LYS 54 Cb 1.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 2p0p h LYS 54 CO 0.05 0.07 0.00 0.25 -1.08 0.00 0.00 179.45 178.74 2p0p n THR 55 N -4.04 0.59 -2.88 -0.16 -2.24 -1.26 -4.91 114.28 99.38 2p0p n THR 55 Ca -0.03 0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 2p0p n THR 55 Cb 0.16 -0.82 0.01 0.00 -2.10 0.00 0.00 70.33 67.58 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 -1.44 -4.73 -4.69 3.42 7.64 -0.70 -4.93 113.62 108.20 2p0p n SER 56 Ca 0.06 -0.14 -0.45 0.00 1.01 0.00 0.00 58.87 59.35 2p0p n SER 56 Cb 0.21 -3.91 -0.03 0.00 -1.01 0.00 0.00 64.21 59.46 2p0p n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2p0p n THR 57 N -3.95 0.29 -2.21 0.44 -1.04 0.24 -4.30 114.28 103.74 2p0p n THR 57 Ca -0.11 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.42 2p0p n THR 57 Cb 0.60 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 67.43 2p0p n THR 57 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2p0p s ILE 58 N 0.68 3.07 0.15 12.58 -1.09 -1.26 -0.58 121.20 134.76 2p0p s ILE 58 Ca 0.75 0.97 0.11 0.00 -2.23 0.00 0.00 60.65 60.24 2p0p s ILE 58 Cb -0.62 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 2p0p s ILE 58 CO 0.40 0.18 -0.25 -1.61 -1.23 0.00 0.00 174.94 172.43 2p0p s GLU 59 N -0.83 1.42 -0.39 2.79 0.41 0.60 -4.93 118.70 117.77 2p0p s GLU 59 Ca 0.53 -1.41 0.02 0.00 -0.41 0.00 0.00 54.97 53.70 2p0p s GLU 59 Cb -0.37 -1.82 0.12 0.00 -1.78 0.00 0.00 34.13 30.28 2p0p s GLU 59 CO 0.43 0.41 0.17 -1.21 -0.49 0.00 0.00 175.26 174.58 2p0p s GLU 60 N -2.31 1.16 -0.28 1.61 2.02 -1.26 -0.68 118.70 118.96 2p0p s GLU 60 Ca 0.16 -1.72 -0.12 0.00 0.02 0.00 0.00 54.97 53.31 2p0p s GLU 60 Cb -0.09 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 2p0p s GLU 60 CO 0.07 -1.07 0.25 0.21 0.02 0.00 0.00 175.26 174.74 2p0p s LYS 61 N 0.80 3.95 0.20 1.61 2.20 -0.54 -4.92 119.74 123.03 2p0p s LYS 61 Ca 0.14 -0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 2p0p s LYS 61 Cb -0.22 -3.67 -0.09 0.00 -1.51 0.00 0.00 37.83 32.35 2p0p s LYS 61 CO -0.09 -0.23 1.29 0.99 -0.36 0.00 0.00 175.35 176.96 2p0p s THR 62 N 1.86 3.26 0.04 3.43 2.01 -1.26 -0.45 115.64 124.53 2p0p s THR 62 Ca 0.10 1.04 -0.03 0.00 0.31 0.00 0.00 61.69 63.10 2p0p s THR 62 Cb -0.16 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 2p0p s THR 62 CO 0.11 0.16 0.05 0.68 -0.69 0.00 0.00 174.62 174.92 2p0p s VAL 63 N 0.09 0.15 -0.29 3.82 -7.23 -0.09 -1.10 120.40 115.76 2p0p s VAL 63 Ca 0.56 -1.22 -0.07 0.00 -1.81 0.00 0.00 61.98 59.44 2p0p s VAL 63 Cb -0.36 -0.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.66 2p0p s VAL 63 CO 0.38 -0.67 0.09 -0.70 -0.31 0.00 0.00 175.10 173.89 2p0p s GLU 64 N -2.70 3.29 -0.43 4.82 2.12 -0.27 -0.92 118.70 124.60 2p0p s GLU 64 Ca -0.04 -0.73 -0.24 0.00 0.36 0.00 0.00 54.97 54.32 2p0p s GLU 64 Cb -0.01 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 31.01 2p0p s GLU 64 CO -0.05 -0.37 0.83 0.08 -0.54 0.00 0.00 175.26 175.21 2p0p s VAL 65 N 1.55 4.61 0.17 3.70 1.01 0.63 -0.61 120.40 131.46 2p0p s VAL 65 Ca 0.04 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.72 2p0p s VAL 65 Cb -0.17 -4.34 -0.14 0.00 0.00 0.00 0.00 36.38 31.74 2p0p s VAL 65 CO 0.03 -0.70 1.40 -0.07 0.00 0.00 0.00 175.10 175.77 2p0p h LEU 66 N 10.19 0.06 0.00 3.92 3.38 -1.16 -0.76 115.31 130.94 2p0p h LEU 66 Ca -0.24 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2p0p h LEU 66 Cb 1.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2p0p h LEU 66 CO 0.97 0.89 0.00 0.61 0.09 0.00 0.00 178.44 181.00 2p0p n GLY 67 N 0.92 -2.41 3.75 0.83 0.00 -1.24 -4.04 105.19 103.00 2p0p n GLY 67 Ca -0.01 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.93 3.00 1.06 1.61 -1.94 -1.26 -0.68 119.30 119.16 2p0p s MET 68 Ca 0.00 1.90 -0.14 0.00 -1.71 0.00 0.00 55.69 55.75 2p0p s MET 68 Cb 0.00 -2.00 0.22 0.00 2.01 0.00 0.00 34.83 35.06 2p0p s MET 68 CO 0.00 -1.20 1.09 0.00 -0.01 0.00 0.00 175.02 174.90 2p0p s ALA 69 N -1.53 0.71 0.54 3.03 0.00 -0.27 -4.33 121.76 119.91 2p0p s ALA 69 Ca 0.76 -0.46 -0.19 0.00 0.00 0.00 0.00 51.96 52.07 2p0p s ALA 69 Cb -0.32 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 2p0p s ALA 69 CO 0.36 -3.10 0.58 -2.30 0.00 0.00 0.00 175.76 171.30 2p0p n PRO 70 N -4.37 0.59 0.25 0.00 -0.02 -1.26 -4.76 135.00 125.43 2p0p n PRO 70 Ca 0.06 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 2p0p n PRO 70 Cb 0.58 -1.72 0.72 0.00 -0.02 0.00 0.00 33.50 33.06 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 0.42 0.00 0.08 2.55 2.03 -1.95 -1.31 116.42 118.25 2p0p h ASP 71 Ca -0.45 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.73 2p0p h ASP 71 Cb 1.39 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.88 2p0p h ASP 71 CO 0.48 0.00 -0.42 -0.78 -1.03 0.00 0.00 179.24 177.50 2p0p h ASP 72 N 0.00 0.45 -0.12 4.15 3.58 -2.02 -2.23 116.42 120.23 2p0p h ASP 72 Ca 0.02 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 2p0p h ASP 72 Cb 0.11 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2p0p h ASP 72 CO -0.00 0.82 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.84 2p0p h GLU 73 N 0.35 0.22 -0.38 0.28 4.39 -1.62 -3.29 114.58 114.53 2p0p h GLU 73 Ca 0.03 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2p0p h GLU 73 Cb 0.89 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2p0p h GLU 73 CO 0.07 0.49 0.00 0.00 -1.16 0.00 0.00 179.01 178.41 2p0p n LEU 75 N -0.19 0.28 0.00 0.00 4.77 -1.00 -4.36 117.00 116.50 2p0p n LEU 75 Ca 0.00 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2p0p n LEU 75 Cb 0.10 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2p0p n LEU 75 CO 0.00 -0.24 0.00 2.29 -1.33 0.00 0.00 177.39 178.11 2p0p n LYS 76 N -1.79 5.51 -3.62 3.23 2.85 -1.22 -4.75 118.16 118.39 2p0p n LYS 76 Ca 0.04 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.15 2p0p n LYS 76 Cb 0.27 -0.46 -0.07 0.00 -0.65 0.00 0.00 35.03 34.13 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 -0.44 -1.24 -5.58 -1.08 -1.26 -5.07 116.67 102.00 2p0p s ASP 77 Ca 0.00 0.34 -0.20 0.00 -0.52 0.00 0.00 52.55 52.18 2p0p s ASP 77 Cb 0.00 0.45 0.03 0.00 -1.46 0.00 0.00 42.92 41.94 2p0p s ASP 77 CO 0.00 -0.59 1.76 -0.04 0.52 0.00 0.00 175.17 176.82 2p0p s MET 78 N -1.64 3.60 0.44 4.34 -1.94 -1.26 -4.15 119.30 118.69 2p0p s MET 78 Ca -0.10 -1.70 -0.21 0.00 -1.71 0.00 0.00 55.69 51.97 2p0p s MET 78 Cb -0.02 -5.45 -0.10 0.00 2.01 0.00 0.00 34.83 31.28 2p0p s MET 78 CO 0.04 -2.65 1.00 0.71 -0.01 0.00 0.00 175.02 174.12 2p0p s TYR 79 N 5.89 3.18 0.01 -0.03 2.02 -1.26 -1.48 117.35 125.68 2p0p s TYR 79 Ca 0.57 1.61 0.03 0.00 -0.37 0.00 0.00 57.07 58.90 2p0p s TYR 79 Cb 0.02 -2.99 -0.01 0.00 -0.40 0.00 0.00 41.96 38.58 2p0p s TYR 79 CO 0.07 -0.49 -0.08 0.14 -1.57 0.00 0.00 175.55 173.62 2p0p s VAL 80 N -1.98 0.63 0.33 0.71 -7.23 0.03 -1.12 120.40 111.77 2p0p s VAL 80 Ca 0.63 -0.56 -0.27 0.00 -1.81 0.00 0.00 61.98 59.97 2p0p s VAL 80 Cb -0.15 -0.57 -0.09 0.00 0.56 0.00 0.00 36.38 36.13 2p0p s VAL 80 CO 0.19 0.03 1.06 -1.61 -0.31 0.00 0.00 175.10 174.46 2p0p s GLU 81 N -0.59 4.45 -0.13 4.82 2.02 0.15 -0.77 118.70 128.65 2p0p s GLU 81 Ca 0.00 1.65 -0.12 0.00 0.02 0.00 0.00 54.97 56.52 2p0p s GLU 81 Cb -0.05 -2.91 0.03 0.00 0.10 0.00 0.00 34.13 31.31 2p0p s GLU 81 CO 0.00 0.08 0.34 0.54 0.02 0.00 0.00 175.26 176.24 2p0p s VAL 82 N -1.38 -0.00 -0.06 2.63 0.11 -0.25 -0.70 120.40 120.76 2p0p s VAL 82 Ca 0.50 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.59 2p0p s VAL 82 Cb -0.27 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 2p0p s VAL 82 CO 0.34 0.00 -0.17 0.00 -3.33 0.00 0.00 175.10 171.94 2p0p s ALA 83 N 0.19 2.51 -1.37 1.54 0.00 0.22 -0.47 121.76 124.37 2p0p s ALA 83 Ca -0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 2p0p s ALA 83 Cb -0.02 -0.89 0.10 0.00 0.00 0.00 0.00 23.12 22.30 2p0p s ALA 83 CO 0.00 0.49 2.20 -3.47 0.00 0.00 0.00 175.76 174.98 2p0p n ASP 84 N 2.58 5.88 0.31 0.00 2.03 -1.21 -1.11 116.55 125.03 2p0p n ASP 84 Ca -0.17 -2.99 0.19 0.00 0.52 0.00 0.00 54.79 52.34 2p0p n ASP 84 Cb 0.52 -1.50 1.02 0.00 -0.72 0.00 0.00 41.12 40.43 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 3.47 0.00 -0.00 5.18 3.07 -1.85 0.23 117.51 127.60 2p0p h ILE 85 Ca 0.56 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.97 2p0p h ILE 85 Cb 0.52 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 37.90 2p0p h ILE 85 CO 1.68 0.00 -0.09 0.61 -1.05 0.00 0.00 178.15 179.30 2p0p n GLY 86 N -1.15 -0.96 0.00 0.16 0.00 -0.25 -4.71 105.19 98.27 2p0p n GLY 86 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 1.26 0.00 0.34 -0.02 0.00 -0.18 -4.85 105.19 101.74 2p0p n GLY 87 Ca 0.15 0.27 0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 0.88 0.00 1.61 1.79 -1.77 -3.46 116.57 115.63 2p0p h LYS 88 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2p0p h LYS 88 Cb 0.00 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.45 2p0p h LYS 88 CO 0.00 0.59 0.00 -3.47 -1.08 0.00 0.00 179.45 175.49 2p0p n ASP 89 N -4.43 0.00 -0.12 0.86 2.03 0.64 -4.35 116.55 111.17 2p0p n ASP 89 Ca 0.07 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.40 2p0p n ASP 89 Cb 0.04 -0.23 0.04 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.00 2.21 -4.22 1.67 2.03 -1.26 -4.76 116.55 112.22 2p0p n ASP 90 Ca 0.00 -2.12 -0.13 0.00 0.52 0.00 0.00 54.79 53.06 2p0p n ASP 90 Cb 0.00 -0.09 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.19 1.08 0.04 1.67 2.15 -1.26 -5.12 116.67 114.04 2p0p s ASP 91 Ca 0.07 -1.16 0.03 0.00 0.43 0.00 0.00 52.55 51.92 2p0p s ASP 91 Cb 0.05 0.14 -0.02 0.00 -0.30 0.00 0.00 42.92 42.79 2p0p s ASP 91 CO 0.03 -0.58 -0.08 0.54 -0.17 0.00 0.00 175.17 174.90 2p0p s VAL 92 N -3.71 0.60 0.05 1.11 0.11 -1.26 -3.34 120.40 113.96 2p0p s VAL 92 Ca 0.23 -1.07 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 2p0p s VAL 92 Cb 0.06 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2p0p s VAL 92 CO 0.03 -0.34 0.04 -1.22 -3.33 0.00 0.00 175.10 170.27 2p0p n TYR 93 N 1.50 -0.13 -4.59 1.54 4.01 0.38 -4.99 117.16 114.88 2p0p n TYR 93 Ca -0.22 -0.39 -0.26 0.00 -0.16 0.00 0.00 57.90 56.87 2p0p n TYR 93 Cb 0.55 0.04 -0.14 0.00 -0.31 0.00 0.00 39.34 39.48 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 -2.20 1.82 0.09 -0.72 2.01 -1.26 -1.08 115.64 114.29 2p0p s THR 94 Ca 0.05 -1.36 0.01 0.00 0.31 0.00 0.00 61.69 60.71 2p0p s THR 94 Cb 0.00 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2p0p s THR 94 CO 0.04 0.17 -0.06 0.00 -0.69 0.00 0.00 174.62 174.07 2p0p s ALA 95 N -0.90 0.90 -0.12 7.40 0.00 0.05 -4.92 121.76 124.16 2p0p s ALA 95 Ca 0.09 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.48 2p0p s ALA 95 Cb -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 2p0p s ALA 95 CO 0.03 -0.23 0.89 0.15 0.00 0.00 0.00 175.76 176.59 2p0p s LYS 96 N -3.69 4.38 0.52 0.00 1.02 -1.26 -0.79 119.74 119.92 2p0p s LYS 96 Ca 0.10 1.17 0.18 0.00 0.02 0.00 0.00 55.97 57.43 2p0p s LYS 96 Cb 0.05 -3.54 1.30 0.00 -0.52 0.00 0.00 37.83 35.12 2p0p s LYS 96 CO -0.05 -0.26 2.14 1.25 -0.92 0.00 0.00 175.35 177.51 2p0p h LEU 97 N 7.92 0.00 -2.64 3.17 5.85 -1.60 -0.83 115.31 127.18 2p0p h LEU 97 Ca -0.32 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 2p0p h LEU 97 Cb 1.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2p0p h LEU 97 CO 0.83 0.03 -0.01 0.77 -0.34 0.00 0.00 178.44 179.72 2p0p h SER 98 N 0.00 0.00 -0.60 1.25 4.64 -1.93 -2.76 113.55 114.16 2p0p h SER 98 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2p0p h SER 98 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2p0p h SER 98 CO 0.00 0.01 0.00 -0.67 -0.87 0.00 0.00 176.83 175.30 2p0p n ASP 99 N -3.20 3.76 -4.43 4.97 2.03 -0.32 -4.94 116.55 114.42 2p0p n ASP 99 Ca -0.02 -2.09 -0.27 0.00 0.52 0.00 0.00 54.79 52.93 2p0p n ASP 99 Cb 0.12 -0.43 -0.12 0.00 -0.72 0.00 0.00 41.12 39.97 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 -1.16 2.37 -0.19 5.18 1.01 -1.04 -1.43 121.20 125.93 2p0p s ILE 100 Ca 0.41 -2.05 0.01 0.00 0.00 0.00 0.00 60.65 59.03 2p0p s ILE 100 Cb 0.23 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.59 2p0p s ILE 100 CO 0.26 -0.13 -0.17 -0.70 0.00 0.00 0.00 174.94 174.21 2p0p s GLU 101 N -2.71 2.69 0.25 2.79 2.12 -0.13 -4.92 118.70 118.79 2p0p s GLU 101 Ca 0.21 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 2p0p s GLU 101 Cb -0.08 -2.55 -0.09 0.00 0.26 0.00 0.00 34.13 31.67 2p0p s GLU 101 CO 0.10 -0.29 1.03 0.00 -0.54 0.00 0.00 175.26 175.56 2p0p s ALA 102 N 1.29 3.37 0.02 6.30 0.00 -1.26 -0.61 121.76 130.88 2p0p s ALA 102 Ca 0.02 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.80 2p0p s ALA 102 Cb -0.14 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2p0p s ALA 102 CO -0.11 -0.01 -0.14 0.42 0.00 0.00 0.00 175.76 175.91 2p0p s ILE 103 N -1.05 1.11 -1.73 0.00 1.01 -0.20 -4.81 121.20 115.53 2p0p s ILE 103 Ca 0.44 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2p0p s ILE 103 Cb -0.29 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.20 2p0p s ILE 103 CO 0.37 0.14 0.00 -0.67 0.00 0.00 0.00 174.94 174.77 2p0p n ASP 104 N 2.25 -4.77 -4.87 3.58 2.03 -1.26 -3.70 116.55 109.81 2p0p n ASP 104 Ca -0.16 0.31 -0.30 0.00 0.52 0.00 0.00 54.79 55.16 2p0p n ASP 104 Cb 0.55 -4.19 0.05 0.00 -0.72 0.00 0.00 41.12 36.81 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 -2.61 3.40 0.68 5.18 -7.23 -1.26 -4.89 120.40 113.67 2p0p s VAL 105 Ca 0.00 0.45 -0.13 0.00 -1.81 0.00 0.00 61.98 60.49 2p0p s VAL 105 Cb 0.00 -3.41 0.01 0.00 0.56 0.00 0.00 36.38 33.54 2p0p s VAL 105 CO 0.00 -0.59 1.09 -0.62 -0.31 0.00 0.00 175.10 174.66 2p0p s ASP 106 N -4.30 5.10 0.20 4.85 2.15 -1.26 -4.85 116.67 118.57 2p0p s ASP 106 Ca 0.59 1.86 -0.10 0.00 0.43 0.00 0.00 52.55 55.32 2p0p s ASP 106 Cb -0.11 -2.53 0.21 0.00 -0.30 0.00 0.00 42.92 40.18 2p0p s ASP 106 CO 0.52 -1.63 1.80 -0.78 -0.17 0.00 0.00 175.17 174.91 2p0p h ASP 107 N -0.33 0.50 0.80 -0.34 3.58 -1.98 0.36 116.42 119.01 2p0p h ASP 107 Ca -0.45 0.03 -0.11 0.00 0.42 0.00 0.00 57.03 56.92 2p0p h ASP 107 Cb 1.23 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 2p0p h ASP 107 CO 0.54 0.33 -0.51 -0.78 -2.88 0.00 0.00 179.24 175.94 2p0p h ASP 108 N 0.63 0.00 -0.01 2.28 3.58 -1.94 0.28 116.42 121.25 2p0p h ASP 108 Ca 0.28 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 2p0p h ASP 108 Cb 0.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 2p0p h ASP 108 CO -0.17 0.51 -0.00 0.74 -2.88 0.00 0.00 179.24 177.43 2p0p h THR 109 N 0.00 1.37 -0.45 2.25 2.02 -1.66 -1.92 112.91 114.52 2p0p h THR 109 Ca -0.01 -1.10 0.03 0.00 0.77 0.00 0.00 66.41 66.10 2p0p h THR 109 Cb 1.05 2.11 -0.04 0.00 -1.74 0.00 0.00 68.15 69.53 2p0p h THR 109 CO 0.07 0.29 0.24 -0.61 0.37 0.00 0.00 175.52 175.87 2p0p h GLN 110 N -0.45 0.46 -0.52 6.66 -0.00 -0.66 -1.93 115.11 118.68 2p0p h GLN 110 Ca 0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 2p0p h GLN 110 Cb 0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 2p0p h GLN 110 CO 0.00 0.31 0.14 0.93 0.00 0.00 0.00 178.83 180.21 2p0p h GLU 111 N 0.48 0.78 -0.39 1.69 4.39 -0.96 0.12 114.58 120.68 2p0p h GLU 111 Ca 0.19 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 2p0p h GLU 111 Cb 0.07 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2p0p h GLU 111 CO -0.12 0.69 -0.03 0.00 -1.16 0.00 0.00 179.01 178.39 2p0p h ALA 112 N 1.40 0.53 -0.51 3.43 0.00 -0.88 -0.28 119.26 122.95 2p0p h ALA 112 Ca 0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2p0p h ALA 112 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2p0p h ALA 112 CO -0.00 0.33 0.15 0.82 0.00 0.00 0.00 179.25 180.54 2p0p h ILE 113 N 0.52 1.23 -0.86 0.00 2.04 -0.90 -1.60 117.51 117.94 2p0p h ILE 113 Ca 0.11 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2p0p h ILE 113 Cb 0.52 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 2p0p h ILE 113 CO 0.03 0.29 0.49 0.00 0.00 0.00 0.00 178.15 178.96 2p0p h ALA 114 N 1.01 1.10 -0.48 1.87 0.00 -0.63 -0.72 119.26 121.41 2p0p h ALA 114 Ca 0.16 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2p0p h ALA 114 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2p0p h ALA 114 CO -0.00 0.59 -0.22 0.22 0.00 0.00 0.00 179.25 179.84 2p0p h ASP 115 N 1.20 1.03 -0.58 0.00 3.58 -0.75 0.13 116.42 121.03 2p0p h ASP 115 Ca 0.31 -0.39 0.03 0.00 0.42 0.00 0.00 57.03 57.40 2p0p h ASP 115 Cb -0.00 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.72 2p0p h ASP 115 CO -0.05 1.19 0.34 -0.25 -2.88 0.00 0.00 179.24 177.59 2p0p h TRP 116 N 0.86 0.63 -0.40 0.28 2.91 -1.06 -1.04 115.95 118.13 2p0p h TRP 116 Ca 0.11 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 2p0p h TRP 116 Cb 0.80 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 29.23 2p0p h TRP 116 CO 0.05 0.34 0.18 -0.07 -1.03 0.00 0.00 178.44 177.91 2p0p h LEU 117 N 0.66 0.53 -0.76 0.65 3.38 -0.68 -2.29 115.31 116.80 2p0p h LEU 117 Ca 0.24 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2p0p h LEU 117 Cb 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2p0p h LEU 117 CO -0.12 0.52 0.31 1.88 0.09 0.00 0.00 178.44 181.12 2p0p h TYR 118 N 0.50 1.16 0.08 1.13 0.05 -0.38 0.88 116.97 120.39 2p0p h TYR 118 Ca 0.14 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2p0p h TYR 118 Cb 0.14 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 2p0p h TYR 118 CO -0.01 0.88 -0.23 2.35 -1.05 0.00 0.00 178.16 180.11 2p0p h TRP 119 N 1.10 -0.65 -0.11 4.88 7.01 -1.13 -1.56 115.95 125.49 2p0p h TRP 119 Ca 0.25 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 2p0p h TRP 119 Cb 0.21 0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2p0p h TRP 119 CO 0.02 -0.26 0.03 1.25 -2.79 0.00 0.00 178.44 176.68 2p0p h LEU 120 N -0.34 0.14 -0.85 0.65 5.85 -0.97 0.51 115.31 120.30 2p0p h LEU 120 Ca -0.01 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 2p0p h LEU 120 Cb 0.33 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2p0p h LEU 120 CO -0.11 0.15 -0.45 0.00 -0.34 0.00 0.00 178.44 177.69 2p0p h ALA 121 N 1.88 1.02 -0.15 1.25 0.00 -0.75 -2.30 119.26 120.21 2p0p h ALA 121 Ca 0.04 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 2p0p h ALA 121 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2p0p h ALA 121 CO -0.00 0.63 -0.52 -0.09 0.00 0.00 0.00 179.25 179.26 2p0p h ARG 122 N 0.23 0.42 0.00 0.00 2.43 0.08 -0.85 114.38 116.69 2p0p h ARG 122 Ca 0.02 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2p0p h ARG 122 Cb 0.89 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2p0p h ARG 122 CO 0.07 0.84 0.00 0.41 -1.51 0.00 0.00 179.97 179.79 2p0p n GLY 123 N 0.15 3.64 0.00 2.80 0.00 -0.20 -4.65 105.19 106.94 2p0p n GLY 123 Ca -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.68 0.00 -3.69 1.61 9.36 -1.26 -4.14 117.16 117.36 2p0p n TYR 124 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 2p0p n TYR 124 Cb 0.00 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 38.74 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 0.00 -2.26 0.00 2.98 4.76 -1.26 -5.08 118.16 117.29 2p0p n LYS 125 Ca 0.00 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 2p0p n LYS 125 Cb 0.00 -4.51 0.00 0.00 -1.84 0.00 0.00 35.03 28.68 2p0p n LYS 125 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37