#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0p s ALA 2 N 0.00 0.30 0.44 -5.12 0.00 -0.04 -5.01 121.76 112.34 2p0p s ALA 2 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.88 2p0p s ALA 2 Cb 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 2p0p s ALA 2 CO 0.00 -0.15 1.28 -1.12 0.00 0.00 0.00 175.76 175.77 2p0p s SER 3 N 1.22 6.11 0.17 0.00 0.01 -1.26 -3.42 113.70 116.53 2p0p s SER 3 Ca -0.07 2.59 -0.09 0.00 1.31 0.00 0.00 55.95 59.69 2p0p s SER 3 Cb -0.13 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 2p0p s SER 3 CO -0.02 -0.98 0.30 0.68 0.41 0.00 0.00 173.24 173.62 2p0p s VAL 4 N -1.33 0.06 0.11 3.43 -7.23 -1.26 -5.01 120.40 109.17 2p0p s VAL 4 Ca 0.61 -1.40 -0.31 0.00 -1.81 0.00 0.00 61.98 59.07 2p0p s VAL 4 Cb -0.36 -1.89 -0.10 0.00 0.56 0.00 0.00 36.38 34.58 2p0p s VAL 4 CO 0.45 -0.26 1.85 -1.61 -0.31 0.00 0.00 175.10 175.22 2p0p s GLU 5 N -3.98 4.14 -0.01 4.82 2.02 -1.26 -4.98 118.70 119.45 2p0p s GLU 5 Ca 0.18 2.60 -0.14 0.00 0.02 0.00 0.00 54.97 57.63 2p0p s GLU 5 Cb 0.03 -3.67 0.02 0.00 0.10 0.00 0.00 34.13 30.61 2p0p s GLU 5 CO 0.01 -0.86 0.28 0.50 0.02 0.00 0.00 175.26 175.22 2p0p s ARG 6 N 2.96 0.64 0.09 1.61 3.52 -1.26 -5.08 118.95 121.43 2p0p s ARG 6 Ca 0.82 -0.23 -0.02 0.00 -0.13 0.00 0.00 55.73 56.17 2p0p s ARG 6 Cb -0.46 0.28 -0.04 0.00 -1.56 0.00 0.00 34.95 33.18 2p0p s ARG 6 CO 0.37 -0.17 0.03 0.34 -0.81 0.00 0.00 175.30 175.05 2p0p s ASP 7 N -1.34 0.38 0.56 -2.12 2.15 -1.26 -5.00 116.67 110.02 2p0p s ASP 7 Ca -0.14 -1.08 0.23 0.00 0.43 0.00 0.00 52.55 51.99 2p0p s ASP 7 Cb -0.06 0.26 1.54 0.00 -0.30 0.00 0.00 42.92 44.37 2p0p s ASP 7 CO 0.04 -0.67 2.20 -0.33 -0.17 0.00 0.00 175.17 176.23 2p0p h GLU 8 N 2.98 0.00 -0.67 4.34 4.39 -2.03 0.07 114.58 123.67 2p0p h GLU 8 Ca -0.34 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 2p0p h GLU 8 Cb 1.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 2p0p h GLU 8 CO 0.62 0.00 0.40 1.15 -1.16 0.00 0.00 179.01 180.01 2p0p h THR 9 N 0.00 1.20 -0.48 1.13 2.02 -1.98 0.32 112.91 115.11 2p0p h THR 9 Ca 0.00 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.64 2p0p h THR 9 Cb 0.02 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 2p0p h THR 9 CO -0.00 0.21 -0.04 -0.09 0.37 0.00 0.00 175.52 175.97 2p0p h ARG 10 N 0.92 0.88 -0.38 6.66 9.65 -1.41 0.33 114.38 131.03 2p0p h ARG 10 Ca 0.24 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2p0p h ARG 10 Cb -0.01 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 2p0p h ARG 10 CO -0.04 0.94 0.25 1.49 2.80 0.00 0.00 179.97 185.41 2p0p h GLU 11 N 0.73 0.51 0.10 0.20 4.57 -1.06 0.31 114.58 119.94 2p0p h GLU 11 Ca 0.13 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2p0p h GLU 11 Cb 0.57 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2p0p h GLU 11 CO 0.03 0.35 -0.06 1.25 -1.18 0.00 0.00 179.01 179.40 2p0p h HIS 12 N 0.52 -0.16 -0.24 0.92 2.76 -0.82 -2.31 115.15 115.82 2p0p h HIS 12 Ca 0.14 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2p0p h HIS 12 Cb -0.04 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 2p0p h HIS 12 CO -0.05 -0.10 0.03 0.00 -1.30 0.00 0.00 177.93 176.51 2p0p h ARG 13 N -0.16 0.40 -0.67 5.26 3.08 -0.58 -0.15 114.38 121.56 2p0p h ARG 13 Ca -0.01 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2p0p h ARG 13 Cb 0.13 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2p0p h ARG 13 CO 0.01 0.55 0.39 0.97 -1.07 0.00 0.00 179.97 180.82 2p0p h ILE 14 N 0.19 1.20 -0.50 2.04 2.10 -0.98 -0.45 117.51 121.11 2p0p h ILE 14 Ca 0.07 -0.48 -0.01 0.00 1.08 0.00 0.00 64.86 65.52 2p0p h ILE 14 Cb 0.35 0.30 -0.02 0.00 -1.09 0.00 0.00 36.82 36.36 2p0p h ILE 14 CO 0.01 0.22 0.27 -0.08 -1.08 0.00 0.00 178.15 177.49 2p0p h GLU 15 N 0.92 0.70 0.00 2.19 4.81 -1.17 -1.56 114.58 120.47 2p0p h GLU 15 Ca 0.24 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2p0p h GLU 15 Cb 0.01 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2p0p h GLU 15 CO -0.04 0.54 -0.75 0.25 -0.73 0.00 0.00 179.01 178.29 2p0p n THR 16 N -4.65 0.19 0.00 0.32 -2.24 -0.09 -2.85 114.28 104.95 2p0p n THR 16 Ca 0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2p0p n THR 16 Cb 0.08 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.88 2.79 -0.07 -0.78 1.02 -0.21 -4.43 120.64 117.09 2p0p n GLU 17 Ca 0.03 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.11 2p0p n GLU 17 Cb 0.41 -0.85 -0.10 0.00 -0.02 0.00 0.00 31.44 30.87 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 -1.55 0.91 -2.15 -3.67 5.41 -0.65 -4.53 119.36 113.13 2p0p n ILE 18 Ca 0.00 -0.55 -0.07 0.00 1.00 0.00 0.00 62.75 63.13 2p0p n ILE 18 Cb 0.35 -0.67 0.08 0.00 -0.71 0.00 0.00 39.64 38.68 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 -2.52 1.82 0.00 1.39 -5.35 -0.82 -4.21 119.36 109.67 2p0p n ILE 19 Ca -0.22 -3.24 0.00 0.00 -0.27 0.00 0.00 62.75 59.02 2p0p n ILE 19 Cb 0.92 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 2p0p n ILE 19 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2p0p n VAL 20 N -0.62 0.00 -0.93 7.28 0.24 -1.13 -1.01 118.33 122.15 2p0p n VAL 20 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 2p0p n VAL 20 Cb 0.89 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 2p0p n VAL 20 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2p0p n ASP 21 N -3.06 0.10 -4.77 -1.34 2.03 -1.26 -4.62 116.55 103.64 2p0p n ASP 21 Ca 0.00 -1.04 -0.39 0.00 0.52 0.00 0.00 54.79 53.89 2p0p n ASP 21 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 -0.04 3.22 0.00 -1.67 0.00 -0.18 -4.96 121.76 118.14 2p0p s ALA 22 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2p0p s ALA 22 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2p0p s ALA 22 CO 0.00 -0.43 0.07 -0.85 0.00 0.00 0.00 175.76 174.55 2p0p n GLU 23 N 0.32 0.16 -4.52 0.00 0.28 -1.26 -4.90 120.64 110.71 2p0p n GLU 23 Ca 0.03 -0.07 -0.27 0.00 -0.16 0.00 0.00 57.16 56.69 2p0p n GLU 23 Cb 0.46 -0.47 -0.13 0.00 1.43 0.00 0.00 31.44 32.73 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 -0.04 2.90 0.39 -1.84 2.15 -1.26 -5.05 116.67 113.92 2p0p s ASP 24 Ca 0.00 -0.65 0.13 0.00 0.43 0.00 0.00 52.55 52.45 2p0p s ASP 24 Cb 0.00 -0.21 0.94 0.00 -0.30 0.00 0.00 42.92 43.35 2p0p s ASP 24 CO 0.00 0.16 1.87 0.07 -0.17 0.00 0.00 175.17 177.10 2p0p h LYS 25 N 4.33 0.54 -0.40 4.34 2.10 -1.94 -0.78 116.57 124.77 2p0p h LYS 25 Ca -0.47 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.07 2p0p h LYS 25 Cb 1.16 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.36 2p0p h LYS 25 CO 0.41 0.36 -0.06 0.93 -2.00 0.00 0.00 179.45 179.09 2p0p h GLU 26 N 0.56 0.75 -0.48 0.07 5.08 -1.95 0.26 114.58 118.87 2p0p h GLU 26 Ca 0.44 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2p0p h GLU 26 Cb 0.88 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2p0p h GLU 26 CO -0.19 0.86 0.10 0.93 -1.00 0.00 0.00 179.01 179.71 2p0p h GLU 27 N 0.57 0.78 -0.16 2.33 5.08 -1.60 -1.71 114.58 119.86 2p0p h GLU 27 Ca 0.11 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2p0p h GLU 27 Cb 0.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2p0p h GLU 27 CO 0.03 0.77 -0.40 0.00 -1.00 0.00 0.00 179.01 178.42 2p0p h ARG 28 N 0.66 0.37 -0.62 2.33 3.08 -1.03 -0.34 114.38 118.83 2p0p h ARG 28 Ca 0.15 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2p0p h ARG 28 Cb 0.36 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2p0p h ARG 28 CO 0.01 0.71 0.16 0.00 -1.07 0.00 0.00 179.97 179.77 2p0p h ALA 29 N 1.27 1.11 -0.34 0.04 0.00 -0.72 -1.70 119.26 118.92 2p0p h ALA 29 Ca 0.03 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2p0p h ALA 29 Cb 0.84 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2p0p h ALA 29 CO 0.07 0.60 -0.29 0.52 0.00 0.00 0.00 179.25 180.15 2p0p h MET 30 N 0.92 0.72 -0.12 0.00 2.86 -0.68 0.40 114.93 119.04 2p0p h MET 30 Ca 0.20 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2p0p h MET 30 Cb 0.32 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2p0p h MET 30 CO -0.00 0.93 -0.07 0.78 1.06 0.00 0.00 176.91 179.60 2p0p h GLY 31 N 0.97 0.03 0.31 8.32 0.00 -0.71 0.94 103.07 112.92 2p0p h GLY 31 Ca 0.07 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.55 2p0p h GLY 31 CO 0.07 -0.09 -0.19 1.49 0.00 0.00 0.00 176.54 177.82 2p0p h TRP 32 N -0.08 -0.48 -0.36 5.60 4.06 -1.19 -2.85 115.95 120.66 2p0p h TRP 32 Ca 0.07 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.10 2p0p h TRP 32 Cb 0.18 0.24 -0.05 0.00 -1.00 0.00 0.00 29.16 28.54 2p0p h TRP 32 CO -0.20 -0.26 0.08 -0.92 -3.56 0.00 0.00 178.44 173.58 2p0p h TYR 33 N -0.20 0.13 0.19 0.49 5.03 -0.24 -0.94 116.97 121.42 2p0p h TYR 33 Ca 0.12 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 2p0p h TYR 33 Cb 0.38 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.66 2p0p h TYR 33 CO -0.33 0.02 -0.09 1.88 -1.32 0.00 0.00 178.16 178.33 2p0p h TYR 34 N 0.20 -0.24 -0.17 -3.82 0.05 -0.66 0.42 116.97 112.76 2p0p h TYR 34 Ca 0.17 -0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.81 2p0p h TYR 34 Cb 0.19 0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 2p0p h TYR 34 CO -0.18 -0.03 -0.47 0.10 -1.05 0.00 0.00 178.16 176.52 2p0p h TYR 35 N -0.40 0.53 0.31 4.88 -0.00 -1.45 -2.18 116.97 118.65 2p0p h TYR 35 Ca -0.03 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.73 58.52 2p0p h TYR 35 Cb 0.31 -0.11 0.00 0.00 -0.00 0.00 0.00 36.73 36.94 2p0p h TYR 35 CO -0.02 0.83 -0.15 1.25 -0.00 0.00 0.00 178.16 180.07 2p0p h LEU 36 N 0.35 -0.35 -0.93 0.10 5.85 -0.97 -1.00 115.31 118.35 2p0p h LEU 36 Ca 0.02 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2p0p h LEU 36 Cb 0.96 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 2p0p h LEU 36 CO 0.08 -0.12 0.61 -0.78 -0.34 0.00 0.00 178.44 177.89 2p0p h ASP 37 N -0.57 1.02 0.27 1.25 3.58 -0.90 0.11 116.42 121.18 2p0p h ASP 37 Ca -0.04 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2p0p h ASP 37 Cb 0.42 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 2p0p h ASP 37 CO 0.07 0.71 -0.15 -0.78 -2.88 0.00 0.00 179.24 176.21 2p0p h ASP 38 N 1.20 0.00 0.18 2.28 3.58 -1.29 -3.21 116.42 119.16 2p0p h ASP 38 Ca 0.36 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.46 2p0p h ASP 38 Cb -0.04 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 2p0p h ASP 38 CO -0.11 0.15 -1.93 0.74 -2.88 0.00 0.00 179.24 175.22 2p0p h THR 39 N 0.00 0.69 -2.21 2.25 2.02 0.33 -3.47 112.91 112.52 2p0p h THR 39 Ca -0.00 -2.41 -0.58 0.00 0.77 0.00 0.00 66.41 64.19 2p0p h THR 39 Cb 0.33 2.53 0.03 0.00 -1.74 0.00 0.00 68.15 69.30 2p0p h THR 39 CO 0.02 0.85 1.10 0.18 0.37 0.00 0.00 175.52 178.04 2p0p n LEU 40 N -3.44 3.68 -2.13 2.58 4.77 0.22 -4.56 117.00 118.11 2p0p n LEU 40 Ca -0.29 0.97 -0.12 0.00 -0.03 0.00 0.00 56.01 56.54 2p0p n LEU 40 Cb 1.05 -1.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.55 2p0p n LEU 40 CO 0.44 0.02 1.60 1.21 -1.33 0.00 0.00 177.39 179.33 2p0p n GLU 41 N 6.31 1.88 -2.04 3.23 4.07 -1.26 -4.95 120.64 127.88 2p0p n GLU 41 Ca 0.21 -0.96 -0.34 0.00 -0.06 0.00 0.00 57.16 56.01 2p0p n GLU 41 Cb 0.33 -1.99 0.02 0.00 -0.06 0.00 0.00 31.44 29.74 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 1.30 2.76 0.55 4.31 -0.12 -1.26 -4.12 117.98 121.41 2p0p s PHE 42 Ca 0.60 1.54 -0.19 0.00 -0.05 0.00 0.00 56.93 58.83 2p0p s PHE 42 Cb 0.28 -3.15 -0.05 0.00 -0.63 0.00 0.00 43.02 39.46 2p0p s PHE 42 CO -0.00 -1.43 1.12 -1.25 -0.05 0.00 0.00 175.22 173.61 2p0p s PRO 43 N -3.78 3.32 0.00 1.99 0.04 -1.26 -5.03 135.00 130.28 2p0p s PRO 43 Ca 0.68 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2p0p s PRO 43 Cb -0.20 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2p0p s PRO 43 CO 0.34 -0.86 0.00 1.97 0.04 0.00 0.00 177.00 178.49 2p0p n PHE 44 N -1.40 -0.05 -4.32 0.56 -1.74 -0.26 -5.00 117.46 105.25 2p0p n PHE 44 Ca 0.11 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.84 2p0p n PHE 44 Cb 0.51 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.41 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 -1.44 1.35 0.21 3.97 0.23 -1.25 -0.20 119.30 122.17 2p0p s MET 45 Ca 0.00 -1.70 -0.15 0.00 -1.03 0.00 0.00 55.69 52.80 2p0p s MET 45 Cb 0.00 -0.48 0.06 0.00 -1.53 0.00 0.00 34.83 32.88 2p0p s MET 45 CO 0.00 -0.17 0.75 0.41 -2.03 0.00 0.00 175.02 173.98 2p0p n GLY 46 N -0.43 0.90 3.15 3.16 0.00 -0.05 -1.19 105.19 110.73 2p0p n GLY 46 Ca -0.03 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.05 3.04 -0.43 1.61 2.47 0.30 -0.97 119.74 123.71 2p0p s LYS 47 Ca 0.16 -0.81 -0.29 0.00 -1.56 0.00 0.00 55.97 53.48 2p0p s LYS 47 Cb -0.03 -2.60 0.02 0.00 -1.46 0.00 0.00 37.83 33.75 2p0p s LYS 47 CO 0.06 -0.18 1.30 -0.46 0.16 0.00 0.00 175.35 176.23 2p0p s TRP 48 N 1.25 2.58 -1.49 4.03 -0.11 0.40 -1.02 118.94 124.57 2p0p s TRP 48 Ca 0.04 0.71 -0.10 0.00 1.22 0.00 0.00 56.10 57.97 2p0p s TRP 48 Cb -0.13 -4.33 -0.10 0.00 -1.50 0.00 0.00 33.47 27.41 2p0p s TRP 48 CO -0.10 -1.68 2.98 1.63 -4.62 0.00 0.00 176.95 175.16 2p0p n LYS 49 N 7.93 3.54 -1.64 5.86 4.76 -0.73 -1.36 118.16 136.51 2p0p n LYS 49 Ca 0.15 -2.09 -0.45 0.00 -2.87 0.00 0.00 58.31 53.05 2p0p n LYS 49 Cb 0.48 -2.73 -0.02 0.00 -1.84 0.00 0.00 35.03 30.92 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 3.53 1.76 0.00 1.97 3.00 0.03 -4.68 118.16 123.77 2p0p n LYS 50 Ca 0.75 0.62 0.01 0.00 -0.00 0.00 0.00 58.31 59.69 2p0p n LYS 50 Cb 0.27 -2.16 -0.01 0.00 0.00 0.00 0.00 35.03 33.14 2p0p n LYS 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2p0p n LYS 51 N 1.21 5.05 0.00 1.64 4.81 -1.26 -0.14 118.16 129.46 2p0p n LYS 51 Ca 0.09 -0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2p0p n LYS 51 Cb 0.32 -0.67 0.00 0.00 0.02 0.00 0.00 35.03 34.70 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 -0.82 0.40 -0.01 3.14 7.64 -1.26 -4.07 113.62 118.64 2p0p n SER 52 Ca 0.00 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.03 2p0p n SER 52 Cb 0.03 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2p0p n SER 52 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2p0p n ARG 53 N 0.24 0.72 0.00 1.43 0.63 -1.26 -4.86 116.66 113.56 2p0p n ARG 53 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2p0p n ARG 53 Cb 0.10 -1.01 0.00 0.00 0.45 0.00 0.00 32.46 32.00 2p0p n ARG 53 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2p0p n LYS 54 N -0.48 0.00 0.00 -0.14 5.02 -1.26 -4.48 118.16 116.82 2p0p n LYS 54 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 2p0p n LYS 54 Cb 0.01 -0.98 0.83 0.00 -0.02 0.00 0.00 35.03 34.86 2p0p n LYS 54 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2p0p n THR 55 N 0.00 0.02 -1.12 -0.18 -2.24 -1.26 -4.91 114.28 104.60 2p0p n THR 55 Ca 0.00 0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 2p0p n THR 55 Cb 0.00 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 67.68 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 -1.10 -5.56 -4.77 3.42 7.64 -1.26 -4.98 113.62 107.01 2p0p n SER 56 Ca 0.19 0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.77 2p0p n SER 56 Cb 0.15 -3.41 -0.02 0.00 -1.01 0.00 0.00 64.21 59.91 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 -1.46 2.79 0.39 0.44 2.01 -1.26 -4.91 115.64 113.64 2p0p s THR 57 Ca 0.00 0.79 -0.26 0.00 0.31 0.00 0.00 61.69 62.53 2p0p s THR 57 Cb 0.00 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 2p0p s THR 57 CO 0.00 0.18 1.21 -0.63 -0.69 0.00 0.00 174.62 174.70 2p0p s ILE 58 N -1.05 2.97 0.18 1.82 -1.09 -1.26 -4.28 121.20 118.48 2p0p s ILE 58 Ca 0.49 0.85 0.05 0.00 -2.23 0.00 0.00 60.65 59.80 2p0p s ILE 58 Cb -0.39 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 2p0p s ILE 58 CO 0.51 0.10 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.64 2p0p s GLU 59 N -2.22 1.17 -0.27 2.79 0.41 0.79 -4.99 118.70 116.38 2p0p s GLU 59 Ca 0.56 -1.53 -0.01 0.00 -0.41 0.00 0.00 54.97 53.58 2p0p s GLU 59 Cb -0.33 -0.68 0.08 0.00 -1.78 0.00 0.00 34.13 31.42 2p0p s GLU 59 CO 0.43 0.04 0.06 -1.21 -0.49 0.00 0.00 175.26 174.08 2p0p s GLU 60 N -3.77 0.87 -0.30 1.61 2.02 -1.26 -0.79 118.70 117.09 2p0p s GLU 60 Ca 0.21 -0.93 -0.10 0.00 0.02 0.00 0.00 54.97 54.17 2p0p s GLU 60 Cb 0.03 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 2p0p s GLU 60 CO 0.04 -0.84 0.15 0.21 0.02 0.00 0.00 175.26 174.84 2p0p s LYS 61 N 1.61 3.52 0.19 1.61 2.20 -0.46 -4.94 119.74 123.47 2p0p s LYS 61 Ca 0.05 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 2p0p s LYS 61 Cb -0.18 -3.56 -0.09 0.00 -1.51 0.00 0.00 37.83 32.50 2p0p s LYS 61 CO -0.17 -0.33 1.37 0.99 -0.36 0.00 0.00 175.35 176.84 2p0p s THR 62 N 1.65 3.07 0.02 3.43 2.01 -1.26 -0.45 115.64 124.10 2p0p s THR 62 Ca 0.06 0.85 0.00 0.00 0.31 0.00 0.00 61.69 62.91 2p0p s THR 62 Cb -0.17 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2p0p s THR 62 CO 0.07 0.11 -0.03 0.68 -0.69 0.00 0.00 174.62 174.76 2p0p s VAL 63 N 0.36 0.16 -0.33 3.82 -7.23 -0.14 -0.85 120.40 116.19 2p0p s VAL 63 Ca 0.60 -0.64 -0.15 0.00 -1.81 0.00 0.00 61.98 59.98 2p0p s VAL 63 Cb -0.38 -0.25 -0.01 0.00 0.56 0.00 0.00 36.38 36.30 2p0p s VAL 63 CO 0.37 -0.30 0.38 -0.70 -0.31 0.00 0.00 175.10 174.54 2p0p s GLU 64 N -0.98 3.63 -0.49 4.82 2.12 -0.39 -0.87 118.70 126.54 2p0p s GLU 64 Ca -0.09 -0.33 -0.25 0.00 0.36 0.00 0.00 54.97 54.66 2p0p s GLU 64 Cb -0.07 -3.78 0.03 0.00 0.26 0.00 0.00 34.13 30.57 2p0p s GLU 64 CO -0.00 -0.50 0.92 0.08 -0.54 0.00 0.00 175.26 175.21 2p0p s VAL 65 N 2.06 4.46 0.16 3.70 1.01 0.72 -0.93 120.40 131.59 2p0p s VAL 65 Ca 0.13 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.77 2p0p s VAL 65 Cb -0.16 -4.46 -0.16 0.00 0.00 0.00 0.00 36.38 31.60 2p0p s VAL 65 CO 0.12 -0.91 1.37 -0.07 0.00 0.00 0.00 175.10 175.60 2p0p h LEU 66 N 10.66 0.03 0.00 3.92 3.38 -1.15 -0.68 115.31 131.48 2p0p h LEU 66 Ca -0.25 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2p0p h LEU 66 Cb 1.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2p0p h LEU 66 CO 1.04 0.92 0.00 0.61 0.09 0.00 0.00 178.44 181.10 2p0p n GLY 67 N 1.04 -0.79 3.75 0.83 0.00 -1.25 -4.12 105.19 104.65 2p0p n GLY 67 Ca -0.01 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.97 2.97 1.01 1.61 -1.94 -1.26 -0.78 119.30 118.94 2p0p s MET 68 Ca 0.00 1.92 -0.12 0.00 -1.71 0.00 0.00 55.69 55.78 2p0p s MET 68 Cb 0.00 -1.99 0.19 0.00 2.01 0.00 0.00 34.83 35.04 2p0p s MET 68 CO 0.00 -1.23 1.09 0.00 -0.01 0.00 0.00 175.02 174.87 2p0p s ALA 69 N -1.51 0.88 0.25 3.03 0.00 -0.23 -4.39 121.76 119.79 2p0p s ALA 69 Ca 0.77 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 2p0p s ALA 69 Cb -0.33 -3.13 -0.15 0.00 0.00 0.00 0.00 23.12 19.52 2p0p s ALA 69 CO 0.36 -2.89 1.00 -2.30 0.00 0.00 0.00 175.76 171.93 2p0p n PRO 70 N -4.22 1.18 0.17 0.00 -0.02 -1.26 -4.87 135.00 125.98 2p0p n PRO 70 Ca 0.05 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.07 2p0p n PRO 70 Cb 0.57 -1.78 0.67 0.00 -0.02 0.00 0.00 33.50 32.94 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 2.23 0.00 -0.11 2.55 2.03 -1.96 -1.67 116.42 119.50 2p0p h ASP 71 Ca -0.39 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.89 2p0p h ASP 71 Cb 1.35 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.84 2p0p h ASP 71 CO 0.63 0.00 0.03 -0.78 -1.03 0.00 0.00 179.24 178.08 2p0p h ASP 72 N 0.00 0.22 1.71 4.15 3.58 -2.02 -0.82 116.42 123.23 2p0p h ASP 72 Ca 0.09 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2p0p h ASP 72 Cb 0.36 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2p0p h ASP 72 CO -0.00 0.24 -0.18 -0.33 -2.88 0.00 0.00 179.24 176.09 2p0p h GLU 73 N 0.24 0.00 -0.58 0.28 5.08 -1.66 -3.35 114.58 114.59 2p0p h GLU 73 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2p0p h GLU 73 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2p0p h GLU 73 CO -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 179.01 178.02 2p0p n LEU 75 N 0.57 0.00 0.00 0.00 4.77 -1.19 -4.02 117.00 117.13 2p0p n LEU 75 Ca 0.29 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2p0p n LEU 75 Cb 1.21 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.28 2p0p n LEU 75 CO 0.33 -0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.68 2p0p n LYS 76 N -1.02 2.48 -3.69 3.23 2.85 -1.26 -4.13 118.16 116.63 2p0p n LYS 76 Ca 0.19 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.33 2p0p n LYS 76 Cb 0.10 -0.35 -0.09 0.00 -0.65 0.00 0.00 35.03 34.04 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 -0.40 -0.60 0.04 -5.58 2.15 -1.26 -4.89 116.67 106.13 2p0p s ASP 77 Ca 0.00 1.10 -0.30 0.00 0.43 0.00 0.00 52.55 53.77 2p0p s ASP 77 Cb 0.00 1.06 -0.05 0.00 -0.30 0.00 0.00 42.92 43.63 2p0p s ASP 77 CO 0.00 -0.19 1.24 -0.04 -0.17 0.00 0.00 175.17 176.00 2p0p s MET 78 N 0.69 4.39 0.16 4.34 -1.94 -1.26 -4.28 119.30 121.41 2p0p s MET 78 Ca -0.03 1.80 0.10 0.00 -1.71 0.00 0.00 55.69 55.85 2p0p s MET 78 Cb -0.05 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 2p0p s MET 78 CO -0.05 -0.34 -0.22 0.71 -0.01 0.00 0.00 175.02 175.11 2p0p s TYR 79 N 1.41 2.05 0.02 -0.03 2.02 -1.26 -0.89 117.35 120.66 2p0p s TYR 79 Ca 0.59 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.90 2p0p s TYR 79 Cb -0.29 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 2p0p s TYR 79 CO 0.28 0.37 -0.05 0.14 -1.57 0.00 0.00 175.55 174.71 2p0p s VAL 80 N -1.60 0.38 0.26 0.71 -7.23 0.11 -1.07 120.40 111.97 2p0p s VAL 80 Ca 0.15 -0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 59.44 2p0p s VAL 80 Cb -0.08 -0.40 -0.09 0.00 0.56 0.00 0.00 36.38 36.37 2p0p s VAL 80 CO 0.07 -0.15 1.01 -1.61 -0.31 0.00 0.00 175.10 174.11 2p0p s GLU 81 N -0.79 4.74 -0.02 4.82 2.02 0.04 -0.65 118.70 128.86 2p0p s GLU 81 Ca -0.05 1.61 -0.02 0.00 0.02 0.00 0.00 54.97 56.54 2p0p s GLU 81 Cb -0.06 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.97 2p0p s GLU 81 CO -0.00 0.37 0.05 0.14 0.02 0.00 0.00 175.26 175.83 2p0p s VAL 82 N -1.20 0.01 -0.11 2.63 -7.23 -0.17 -0.69 120.40 113.64 2p0p s VAL 82 Ca 0.43 -0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.52 2p0p s VAL 82 Cb -0.28 -0.10 -0.03 0.00 0.56 0.00 0.00 36.38 36.53 2p0p s VAL 82 CO 0.35 -0.03 -0.02 0.00 -0.31 0.00 0.00 175.10 175.08 2p0p s ALA 83 N -0.08 3.12 -1.50 1.32 0.00 -0.11 -0.48 121.76 124.03 2p0p s ALA 83 Ca -0.01 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 2p0p s ALA 83 Cb -0.01 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.64 2p0p s ALA 83 CO 0.00 0.43 2.57 -3.47 0.00 0.00 0.00 175.76 175.29 2p0p n ASP 84 N 2.74 7.04 0.30 0.00 2.03 -1.11 -1.27 116.55 126.27 2p0p n ASP 84 Ca -0.18 -2.79 0.19 0.00 0.52 0.00 0.00 54.79 52.52 2p0p n ASP 84 Cb 0.53 -1.54 0.99 0.00 -0.72 0.00 0.00 41.12 40.38 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 3.26 0.00 -0.01 5.18 3.07 -1.84 0.23 117.51 127.40 2p0p h ILE 85 Ca 0.72 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.13 2p0p h ILE 85 Cb 0.41 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 2p0p h ILE 85 CO 1.74 0.00 -0.08 0.61 -1.05 0.00 0.00 178.15 179.38 2p0p n GLY 86 N -1.16 -0.64 0.00 0.16 0.00 -0.03 -4.71 105.19 98.82 2p0p n GLY 86 Ca -0.02 -0.32 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 1.21 0.45 0.30 -0.02 0.00 -0.13 -4.80 105.19 102.20 2p0p n GLY 87 Ca 0.17 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.40 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 0.52 0.00 1.61 1.79 -1.78 -3.46 116.57 115.25 2p0p h LYS 88 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2p0p h LYS 88 Cb 0.00 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 2p0p h LYS 88 CO 0.00 0.39 0.00 -3.47 -1.08 0.00 0.00 179.45 175.29 2p0p n ASP 89 N -4.43 0.00 -0.28 0.86 2.03 0.63 -4.40 116.55 110.96 2p0p n ASP 89 Ca 0.03 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.36 2p0p n ASP 89 Cb 0.10 -0.22 0.07 0.00 -0.72 0.00 0.00 41.12 40.35 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 2.41 -4.21 1.67 2.03 -1.26 -4.74 116.55 112.47 2p0p n ASP 90 Ca 0.00 -2.02 -0.12 0.00 0.52 0.00 0.00 54.79 53.17 2p0p n ASP 90 Cb 0.00 -0.11 -0.10 0.00 -0.72 0.00 0.00 41.12 40.19 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 -1.03 1.09 0.04 1.67 2.15 -1.26 -5.10 116.67 114.22 2p0p s ASP 91 Ca 0.11 -1.14 0.03 0.00 0.43 0.00 0.00 52.55 51.97 2p0p s ASP 91 Cb 0.06 0.13 -0.02 0.00 -0.30 0.00 0.00 42.92 42.79 2p0p s ASP 91 CO 0.07 -0.56 -0.08 0.54 -0.17 0.00 0.00 175.17 174.96 2p0p s VAL 92 N -3.70 0.61 0.07 1.11 0.11 -1.26 -2.75 120.40 114.59 2p0p s VAL 92 Ca 0.21 -0.95 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2p0p s VAL 92 Cb 0.06 -0.64 -0.00 0.00 -1.53 0.00 0.00 36.38 34.27 2p0p s VAL 92 CO 0.02 -0.26 0.07 -1.22 -3.33 0.00 0.00 175.10 170.38 2p0p n TYR 93 N 1.72 -0.26 -4.52 1.54 4.01 0.36 -5.00 117.16 115.01 2p0p n TYR 93 Ca -0.21 -0.57 -0.26 0.00 -0.16 0.00 0.00 57.90 56.70 2p0p n TYR 93 Cb 0.55 0.07 -0.13 0.00 -0.31 0.00 0.00 39.34 39.52 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 -2.33 1.87 0.08 -0.72 2.01 -1.26 -0.99 115.64 114.30 2p0p s THR 94 Ca 0.08 -1.45 0.03 0.00 0.31 0.00 0.00 61.69 60.66 2p0p s THR 94 Cb 0.00 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 2p0p s THR 94 CO 0.06 0.12 -0.09 0.00 -0.69 0.00 0.00 174.62 174.02 2p0p s ALA 95 N -0.97 0.93 -0.02 7.40 0.00 0.18 -4.91 121.76 124.38 2p0p s ALA 95 Ca 0.09 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 2p0p s ALA 95 Cb -0.10 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 2p0p s ALA 95 CO 0.03 -0.06 1.36 0.15 0.00 0.00 0.00 175.76 177.24 2p0p s LYS 96 N -2.58 4.29 0.41 0.00 1.02 -1.26 -0.71 119.74 120.91 2p0p s LYS 96 Ca 0.02 1.90 0.07 0.00 0.02 0.00 0.00 55.97 57.98 2p0p s LYS 96 Cb -0.04 -3.58 0.86 0.00 -0.52 0.00 0.00 37.83 34.55 2p0p s LYS 96 CO -0.01 -0.55 2.05 1.25 -0.92 0.00 0.00 175.35 177.17 2p0p h LEU 97 N 8.37 0.49 -0.45 3.17 5.85 -1.33 -1.07 115.31 130.34 2p0p h LEU 97 Ca -0.37 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2p0p h LEU 97 Cb 1.17 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2p0p h LEU 97 CO 0.90 0.35 0.18 -1.20 -0.34 0.00 0.00 178.44 178.33 2p0p n SER 98 N -4.47 0.18 -0.12 1.25 7.64 -1.25 -1.88 113.62 114.96 2p0p n SER 98 Ca 0.04 0.47 0.04 0.00 1.01 0.00 0.00 58.87 60.42 2p0p n SER 98 Cb 0.09 -0.46 0.05 0.00 -1.01 0.00 0.00 64.21 62.89 2p0p n SER 98 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2p0p n ASP 99 N -1.69 1.45 -4.46 6.43 2.03 -0.41 -5.04 116.55 114.87 2p0p n ASP 99 Ca -0.00 -2.26 -0.26 0.00 0.52 0.00 0.00 54.79 52.79 2p0p n ASP 99 Cb 0.19 -0.20 -0.11 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.36 2.51 -0.18 5.18 1.01 -0.79 -1.77 121.20 125.80 2p0p s ILE 100 Ca 0.12 -2.06 0.01 0.00 0.00 0.00 0.00 60.65 58.72 2p0p s ILE 100 Cb 0.10 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.37 2p0p s ILE 100 CO 0.01 -0.18 -0.17 -0.70 0.00 0.00 0.00 174.94 173.91 2p0p s GLU 101 N -2.87 2.64 0.23 2.79 2.12 -0.19 -4.93 118.70 118.49 2p0p s GLU 101 Ca 0.23 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.49 2p0p s GLU 101 Cb -0.07 -2.42 -0.09 0.00 0.26 0.00 0.00 34.13 31.81 2p0p s GLU 101 CO 0.12 -0.26 1.00 0.00 -0.54 0.00 0.00 175.26 175.58 2p0p s ALA 102 N 1.35 3.35 0.03 6.30 0.00 -1.26 -0.54 121.76 130.99 2p0p s ALA 102 Ca 0.04 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.74 2p0p s ALA 102 Cb -0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2p0p s ALA 102 CO -0.11 0.06 -0.12 0.42 0.00 0.00 0.00 175.76 176.00 2p0p s ILE 103 N -0.99 0.96 -1.48 0.00 1.01 -0.33 -4.87 121.20 115.50 2p0p s ILE 103 Ca 0.43 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 2p0p s ILE 103 Cb -0.28 -0.87 0.08 0.00 0.01 0.00 0.00 42.46 41.41 2p0p s ILE 103 CO 0.34 0.03 0.78 -0.67 0.00 0.00 0.00 174.94 175.42 2p0p n ASP 104 N 2.12 -4.52 -4.69 3.58 2.03 -1.26 -3.88 116.55 109.92 2p0p n ASP 104 Ca -0.17 -0.62 -0.25 0.00 0.52 0.00 0.00 54.79 54.27 2p0p n ASP 104 Cb 0.55 -3.65 -0.08 0.00 -0.72 0.00 0.00 41.12 37.22 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 -3.17 2.38 0.64 5.18 0.11 -1.26 -4.83 120.40 119.45 2p0p s VAL 105 Ca 0.55 -1.81 -0.17 0.00 -2.93 0.00 0.00 61.98 57.62 2p0p s VAL 105 Cb -0.28 -2.95 -0.01 0.00 -1.53 0.00 0.00 36.38 31.61 2p0p s VAL 105 CO 0.68 -0.06 1.21 -0.62 -3.33 0.00 0.00 175.10 172.98 2p0p s ASP 106 N -3.83 4.88 0.24 3.54 2.15 -1.26 -4.78 116.67 117.62 2p0p s ASP 106 Ca 0.38 2.37 -0.04 0.00 0.43 0.00 0.00 52.55 55.69 2p0p s ASP 106 Cb 0.03 -2.59 0.39 0.00 -0.30 0.00 0.00 42.92 40.45 2p0p s ASP 106 CO 0.21 -1.80 1.82 -0.78 -0.17 0.00 0.00 175.17 174.45 2p0p h ASP 107 N 0.48 0.70 0.86 -0.34 3.58 -2.00 0.05 116.42 119.76 2p0p h ASP 107 Ca -0.49 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 56.89 2p0p h ASP 107 Cb 1.30 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 2p0p h ASP 107 CO 0.53 0.41 -0.53 -0.78 -2.88 0.00 0.00 179.24 176.00 2p0p h ASP 108 N 0.82 0.00 -0.02 2.28 3.58 -1.95 0.44 116.42 121.57 2p0p h ASP 108 Ca 0.39 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 2p0p h ASP 108 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2p0p h ASP 108 CO -0.23 0.53 -0.04 0.74 -2.88 0.00 0.00 179.24 177.35 2p0p h THR 109 N 0.00 1.45 -0.40 2.25 2.02 -1.59 -2.00 112.91 114.64 2p0p h THR 109 Ca -0.01 -1.39 0.02 0.00 0.77 0.00 0.00 66.41 65.81 2p0p h THR 109 Cb 1.10 2.33 -0.03 0.00 -1.74 0.00 0.00 68.15 69.81 2p0p h THR 109 CO 0.07 0.37 0.23 -0.61 0.37 0.00 0.00 175.52 175.95 2p0p h GLN 110 N -0.48 0.46 -0.62 6.66 -0.00 -0.82 -2.20 115.11 118.10 2p0p h GLN 110 Ca 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.56 2p0p h GLN 110 Cb 0.62 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.97 2p0p h GLN 110 CO 0.01 0.30 0.15 0.93 0.00 0.00 0.00 178.83 180.23 2p0p h GLU 111 N 0.47 0.97 -0.52 1.69 4.39 -0.96 0.41 114.58 121.03 2p0p h GLU 111 Ca 0.16 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2p0p h GLU 111 Cb 0.01 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2p0p h GLU 111 CO -0.08 0.87 0.24 0.00 -1.16 0.00 0.00 179.01 178.88 2p0p h ALA 112 N 1.23 0.67 -0.21 3.43 0.00 -0.95 0.62 119.26 124.05 2p0p h ALA 112 Ca 0.20 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2p0p h ALA 112 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2p0p h ALA 112 CO -0.00 0.25 -0.05 0.82 0.00 0.00 0.00 179.25 180.27 2p0p h ILE 113 N 0.70 1.28 -0.77 0.00 2.04 -1.07 -1.85 117.51 117.85 2p0p h ILE 113 Ca 0.18 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 65.03 2p0p h ILE 113 Cb 0.14 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 2p0p h ILE 113 CO -0.02 0.31 0.49 0.00 0.00 0.00 0.00 178.15 178.94 2p0p h ALA 114 N 0.74 0.99 -0.25 1.87 0.00 -0.77 -1.76 119.26 120.08 2p0p h ALA 114 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2p0p h ALA 114 Cb 0.50 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2p0p h ALA 114 CO 0.02 0.33 -0.35 0.22 0.00 0.00 0.00 179.25 179.47 2p0p h ASP 115 N 0.98 0.57 -0.26 0.00 3.58 -0.74 0.65 116.42 121.20 2p0p h ASP 115 Ca 0.30 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2p0p h ASP 115 Cb -0.04 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2p0p h ASP 115 CO -0.09 0.87 0.16 -0.25 -2.88 0.00 0.00 179.24 177.05 2p0p h TRP 116 N 0.46 0.33 -0.46 0.28 2.91 -1.03 -0.04 115.95 118.41 2p0p h TRP 116 Ca 0.05 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 2p0p h TRP 116 Cb 0.82 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.34 2p0p h TRP 116 CO 0.03 0.22 0.25 -0.07 -1.03 0.00 0.00 178.44 177.85 2p0p h LEU 117 N 0.34 0.56 -0.38 0.65 3.38 -0.83 -1.41 115.31 117.62 2p0p h LEU 117 Ca 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2p0p h LEU 117 Cb -0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2p0p h LEU 117 CO -0.02 0.48 0.19 1.88 0.09 0.00 0.00 178.44 181.06 2p0p h TYR 118 N 0.60 0.55 -0.35 1.13 0.05 -0.75 -1.20 116.97 116.99 2p0p h TYR 118 Ca 0.16 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.95 2p0p h TYR 118 Cb 0.04 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 2p0p h TYR 118 CO -0.02 0.45 0.16 2.35 -1.05 0.00 0.00 178.16 180.05 2p0p h TRP 119 N 0.48 0.29 -0.23 4.88 2.91 -0.74 -1.13 115.95 122.41 2p0p h TRP 119 Ca 0.13 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.17 2p0p h TRP 119 Cb 0.11 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 2p0p h TRP 119 CO -0.02 0.15 0.15 -0.07 -1.03 0.00 0.00 178.44 177.62 2p0p h LEU 120 N 0.33 0.27 -1.52 0.65 3.38 -1.06 -2.81 115.31 114.56 2p0p h LEU 120 Ca 0.15 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2p0p h LEU 120 Cb 0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2p0p h LEU 120 CO -0.12 0.21 -0.14 0.00 0.09 0.00 0.00 178.44 178.47 2p0p h ALA 121 N 1.07 1.61 0.00 1.53 0.00 -0.79 -1.32 119.26 121.37 2p0p h ALA 121 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2p0p h ALA 121 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2p0p h ALA 121 CO -0.02 0.29 0.00 -0.09 0.00 0.00 0.00 179.25 179.43 2p0p h ARG 122 N 0.13 0.00 0.00 0.00 2.43 -0.94 -0.06 114.38 115.93 2p0p h ARG 122 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2p0p h ARG 122 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2p0p h ARG 122 CO 0.02 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.89 2p0p n GLY 123 N -0.24 0.68 3.57 2.80 0.00 -0.59 -4.80 105.19 106.61 2p0p n GLY 123 Ca 0.01 -0.29 -0.52 0.00 0.00 0.00 0.00 46.02 45.22 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 1.30 0.00 1.61 9.36 -0.66 -4.87 117.16 123.89 2p0p n TYR 124 Ca 0.00 0.71 0.00 0.00 3.32 0.00 0.00 57.90 61.93 2p0p n TYR 124 Cb 0.00 -2.28 0.00 0.00 -0.63 0.00 0.00 39.34 36.43 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 2.14 1.97 0.00 2.98 5.02 -1.26 -5.11 118.16 123.90 2p0p n LYS 125 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2p0p n LYS 125 Cb 0.19 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 2p0p n LYS 125 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85