#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 1.55 -1.47 -5.12 0.00 -1.89 -3.41 119.26 108.92 2p0p h ALA 2 Ca 0.00 -0.23 -0.44 0.00 0.00 0.00 0.00 54.91 54.24 2p0p h ALA 2 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2p0p h ALA 2 CO 0.00 0.32 1.43 -1.12 0.00 0.00 0.00 179.25 179.87 2p0p s SER 3 N -6.92 4.66 0.60 0.00 0.01 -1.26 -4.02 113.70 106.77 2p0p s SER 3 Ca -0.03 0.74 0.37 0.00 1.31 0.00 0.00 55.95 58.34 2p0p s SER 3 Cb 0.15 -2.51 1.89 0.00 0.21 0.00 0.00 66.02 65.76 2p0p s SER 3 CO 0.70 -2.80 2.20 -0.37 0.41 0.00 0.00 173.24 173.38 2p0p h VAL 4 N 7.44 0.16 -3.68 3.43 -1.51 -1.89 -3.40 116.25 116.80 2p0p h VAL 4 Ca -0.22 -0.26 -0.25 0.00 -1.23 0.00 0.00 66.70 64.74 2p0p h VAL 4 Cb 1.21 1.22 -0.30 0.00 -2.13 0.00 0.00 31.29 31.29 2p0p h VAL 4 CO 1.17 0.03 -0.72 -1.61 -1.23 0.00 0.00 177.57 175.20 2p0p s GLU 5 N -4.05 -0.00 0.00 5.19 2.02 -1.26 -5.07 118.70 115.52 2p0p s GLU 5 Ca -0.03 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.01 2p0p s GLU 5 Cb 0.12 -0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.27 2p0p s GLU 5 CO 0.49 -0.04 0.00 -2.13 0.02 0.00 0.00 175.26 173.60 2p0p n ARG 6 N 3.38 2.52 -1.97 1.61 3.00 -1.26 -5.06 116.66 118.87 2p0p n ARG 6 Ca -0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.30 2p0p n ARG 6 Cb 0.57 -0.69 0.01 0.00 0.00 0.00 0.00 32.46 32.35 2p0p n ARG 6 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2p0p s ASP 7 N -1.29 6.02 0.57 6.15 2.15 -1.26 -4.90 116.67 124.11 2p0p s ASP 7 Ca 0.00 2.69 0.27 0.00 0.43 0.00 0.00 52.55 55.94 2p0p s ASP 7 Cb 0.00 -2.64 1.52 0.00 -0.30 0.00 0.00 42.92 41.51 2p0p s ASP 7 CO 0.00 -1.05 2.05 -0.33 -0.17 0.00 0.00 175.17 175.67 2p0p h GLU 8 N 2.32 0.00 -0.84 4.34 4.39 -2.01 -1.83 114.58 120.95 2p0p h GLU 8 Ca -0.50 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.27 2p0p h GLU 8 Cb 1.26 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.85 2p0p h GLU 8 CO 0.61 0.00 0.51 1.15 -1.16 0.00 0.00 179.01 180.12 2p0p h THR 9 N 0.00 1.00 -0.81 1.13 2.02 -1.99 -0.60 112.91 113.67 2p0p h THR 9 Ca 0.14 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 2p0p h THR 9 Cb 0.67 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2p0p h THR 9 CO -0.00 0.16 0.34 -0.09 0.37 0.00 0.00 175.52 176.31 2p0p h ARG 10 N 0.90 1.19 -0.28 6.66 9.65 -1.70 0.10 114.38 130.91 2p0p h ARG 10 Ca 0.38 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 59.00 2p0p h ARG 10 Cb 0.23 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 2p0p h ARG 10 CO -0.19 0.95 -0.05 0.93 2.80 0.00 0.00 179.97 184.40 2p0p h GLU 11 N 1.16 0.53 -0.36 0.20 4.39 -1.48 -0.62 114.58 118.42 2p0p h GLU 11 Ca 0.27 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2p0p h GLU 11 Cb 0.19 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2p0p h GLU 11 CO -0.03 0.72 0.22 1.25 -1.16 0.00 0.00 179.01 180.02 2p0p h HIS 12 N 0.29 0.46 -0.14 4.33 -0.00 -0.83 -1.77 115.15 117.49 2p0p h HIS 12 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.38 2p0p h HIS 12 Cb 0.52 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.77 2p0p h HIS 12 CO 0.05 0.32 -0.16 0.00 -0.00 0.00 0.00 177.93 178.14 2p0p h ARG 13 N 0.47 0.35 -0.74 5.26 2.47 -0.65 -0.50 114.38 121.04 2p0p h ARG 13 Ca 0.13 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2p0p h ARG 13 Cb -0.02 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 2p0p h ARG 13 CO -0.03 0.75 0.47 0.97 0.56 0.00 0.00 179.97 182.70 2p0p h ILE 14 N -0.03 1.20 0.54 2.04 2.10 -1.11 -1.64 117.51 120.61 2p0p h ILE 14 Ca 0.02 -0.40 -0.03 0.00 1.08 0.00 0.00 64.86 65.53 2p0p h ILE 14 Cb 0.70 0.13 0.01 0.00 -1.09 0.00 0.00 36.82 36.57 2p0p h ILE 14 CO 0.04 0.20 -0.26 -0.08 -1.08 0.00 0.00 178.15 176.97 2p0p h GLU 15 N 1.01 -0.70 0.00 2.19 4.81 -1.25 -0.09 114.58 120.55 2p0p h GLU 15 Ca 0.27 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2p0p h GLU 15 Cb -0.08 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2p0p h GLU 15 CO -0.05 -0.46 0.00 0.25 -0.73 0.00 0.00 179.01 178.01 2p0p n THR 16 N -5.40 0.34 -0.00 0.32 -2.24 -0.20 -2.17 114.28 104.93 2p0p n THR 16 Ca -0.12 0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2p0p n THR 16 Cb 0.30 -0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 67.76 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 -1.23 3.11 -0.01 -0.78 1.02 -0.64 -4.82 120.64 117.30 2p0p n GLU 17 Ca 0.10 -0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 2p0p n GLU 17 Cb 0.14 -1.01 -0.01 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.91 0.08 -2.25 -3.67 5.41 -0.06 -4.85 119.36 112.10 2p0p n ILE 18 Ca -0.01 -0.04 0.03 0.00 1.00 0.00 0.00 62.75 63.73 2p0p n ILE 18 Cb 0.41 -0.80 0.08 0.00 -0.71 0.00 0.00 39.64 38.62 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 -2.25 0.88 -0.21 1.39 -0.00 -1.06 -4.70 119.36 113.43 2p0p n ILE 19 Ca -0.02 -1.99 0.20 0.00 -0.00 0.00 0.00 62.75 60.94 2p0p n ILE 19 Cb 0.53 0.57 0.56 0.00 -0.00 0.00 0.00 39.64 41.30 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 4.90 0.67 -0.11 7.28 -1.51 -1.75 -2.61 116.25 123.12 2p0p h VAL 20 Ca -0.13 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 2p0p h VAL 20 Cb 1.56 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2p0p h VAL 20 CO 0.11 0.06 0.00 -0.90 -1.23 0.00 0.00 177.57 175.61 2p0p n ASP 21 N -4.46 1.60 -4.00 4.19 5.75 -1.26 -4.91 116.55 113.46 2p0p n ASP 21 Ca 0.18 -1.63 -0.13 0.00 -0.01 0.00 0.00 54.79 53.20 2p0p n ASP 21 Cb 0.72 -0.07 -0.12 0.00 -1.03 0.00 0.00 41.12 40.62 2p0p n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2p0p s ALA 22 N -1.86 0.41 0.00 2.12 0.00 -0.99 -5.05 121.76 116.39 2p0p s ALA 22 Ca 0.34 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.79 2p0p s ALA 22 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.32 2p0p s ALA 22 CO 0.29 -0.00 0.30 0.39 0.00 0.00 0.00 175.76 176.74 2p0p n GLU 23 N 2.06 0.12 -4.00 0.00 1.02 -1.26 -4.88 120.64 113.69 2p0p n GLU 23 Ca -0.19 -0.34 -0.10 0.00 -0.02 0.00 0.00 57.16 56.51 2p0p n GLU 23 Cb 0.56 -0.59 -0.11 0.00 -0.02 0.00 0.00 31.44 31.28 2p0p n GLU 23 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2p0p s ASP 24 N -0.08 0.43 0.38 1.62 -1.08 -1.26 -5.04 116.67 111.64 2p0p s ASP 24 Ca 0.00 -0.49 0.13 0.00 -0.52 0.00 0.00 52.55 51.66 2p0p s ASP 24 Cb 0.00 0.07 0.94 0.00 -1.46 0.00 0.00 42.92 42.47 2p0p s ASP 24 CO 0.00 -0.25 1.85 0.07 0.52 0.00 0.00 175.17 177.35 2p0p h LYS 25 N 4.67 0.55 -0.30 4.34 2.10 -1.98 0.11 116.57 126.06 2p0p h LYS 25 Ca -0.33 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.18 2p0p h LYS 25 Cb 1.21 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 2p0p h LYS 25 CO 0.41 0.36 -0.25 0.93 -2.00 0.00 0.00 179.45 178.90 2p0p h GLU 26 N 0.56 0.70 -0.35 0.07 5.08 -1.98 0.02 114.58 118.68 2p0p h GLU 26 Ca 0.48 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2p0p h GLU 26 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2p0p h GLU 26 CO -0.22 0.96 -0.30 0.93 -1.00 0.00 0.00 179.01 179.38 2p0p h GLU 27 N 0.44 0.75 0.00 2.33 4.39 -1.61 -2.49 114.58 118.40 2p0p h GLU 27 Ca 0.05 -0.34 -0.12 0.00 0.34 0.00 0.00 59.36 59.29 2p0p h GLU 27 Cb 0.81 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 2p0p h GLU 27 CO 0.06 0.95 -0.59 0.00 -1.16 0.00 0.00 179.01 178.28 2p0p h ARG 28 N 0.64 0.00 -0.83 2.33 3.08 -0.73 -0.53 114.38 118.34 2p0p h ARG 28 Ca 0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 2p0p h ARG 28 Cb 0.82 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 2p0p h ARG 28 CO 0.07 0.59 0.42 0.00 -1.07 0.00 0.00 179.97 179.98 2p0p h ALA 29 N 1.41 1.07 -0.64 0.04 0.00 -0.75 -0.71 119.26 119.68 2p0p h ALA 29 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2p0p h ALA 29 Cb 1.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2p0p h ALA 29 CO 0.08 0.62 0.06 0.52 0.00 0.00 0.00 179.25 180.53 2p0p h MET 30 N 1.17 1.09 -0.04 0.00 2.86 -0.97 0.03 114.93 119.09 2p0p h MET 30 Ca 0.29 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2p0p h MET 30 Cb 0.09 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2p0p h MET 30 CO -0.04 1.03 -0.07 0.78 1.06 0.00 0.00 176.91 179.67 2p0p h GLY 31 N 1.01 -0.04 0.33 8.32 0.00 -0.68 0.80 103.07 112.80 2p0p h GLY 31 Ca 0.19 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.65 2p0p h GLY 31 CO 0.02 -0.08 -0.23 1.49 0.00 0.00 0.00 176.54 177.74 2p0p h TRP 32 N -0.11 -0.62 -0.42 5.60 4.06 -1.05 -2.83 115.95 120.58 2p0p h TRP 32 Ca 0.04 0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.08 2p0p h TRP 32 Cb 0.16 0.29 -0.05 0.00 -1.00 0.00 0.00 29.16 28.56 2p0p h TRP 32 CO -0.16 -0.32 0.12 -0.92 -3.56 0.00 0.00 178.44 173.61 2p0p h TYR 33 N -0.31 0.21 0.05 0.49 3.20 -0.51 -1.26 116.97 118.84 2p0p h TYR 33 Ca 0.09 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2p0p h TYR 33 Cb 0.45 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2p0p h TYR 33 CO -0.32 0.06 -0.03 1.88 -1.64 0.00 0.00 178.16 178.11 2p0p h TYR 34 N 0.27 -0.07 -0.23 -3.82 0.05 -0.65 0.36 116.97 112.89 2p0p h TYR 34 Ca 0.20 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.84 2p0p h TYR 34 Cb 0.21 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 2p0p h TYR 34 CO -0.17 0.19 -0.43 0.10 -1.05 0.00 0.00 178.16 176.80 2p0p h TYR 35 N -0.32 0.66 0.19 4.88 -0.00 -1.46 -2.05 116.97 118.87 2p0p h TYR 35 Ca -0.01 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.73 58.52 2p0p h TYR 35 Cb 0.29 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 36.88 2p0p h TYR 35 CO 0.01 0.89 -0.09 1.25 -0.00 0.00 0.00 178.16 180.21 2p0p h LEU 36 N 0.45 -0.21 -0.91 0.10 5.85 -1.05 -0.94 115.31 118.59 2p0p h LEU 36 Ca 0.03 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2p0p h LEU 36 Cb 0.93 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 2p0p h LEU 36 CO 0.08 -0.01 0.60 -0.78 -0.34 0.00 0.00 178.44 177.99 2p0p h ASP 37 N -0.42 1.00 0.34 1.25 3.58 -0.91 0.73 116.42 122.00 2p0p h ASP 37 Ca -0.03 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2p0p h ASP 37 Cb 0.32 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2p0p h ASP 37 CO 0.04 0.69 -0.12 -0.78 -2.88 0.00 0.00 179.24 176.20 2p0p h ASP 38 N 1.17 0.00 0.15 2.28 3.58 -1.21 -3.25 116.42 119.14 2p0p h ASP 38 Ca 0.36 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.45 2p0p h ASP 38 Cb -0.03 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 2p0p h ASP 38 CO -0.11 0.12 -2.09 0.41 -2.88 0.00 0.00 179.24 174.69 2p0p n THR 39 N -3.70 1.66 -1.67 2.25 -1.04 -0.21 -4.90 114.28 106.66 2p0p n THR 39 Ca -0.02 -0.68 -0.44 0.00 -2.04 0.00 0.00 64.05 60.88 2p0p n THR 39 Cb 0.23 -1.44 -0.03 0.00 -1.82 0.00 0.00 70.33 67.27 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 -3.30 3.95 -2.03 -4.42 4.77 0.08 -4.45 117.00 111.60 2p0p n LEU 40 Ca -0.33 0.95 -0.14 0.00 -0.03 0.00 0.00 56.01 56.47 2p0p n LEU 40 Cb 1.04 -1.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.50 2p0p n LEU 40 CO 0.39 0.13 1.54 -0.62 -1.33 0.00 0.00 177.39 177.50 2p0p n GLU 41 N 6.53 1.97 -1.45 3.23 -0.58 -1.26 -4.96 120.64 124.12 2p0p n GLU 41 Ca 0.20 -1.15 -0.34 0.00 -0.42 0.00 0.00 57.16 55.45 2p0p n GLU 41 Cb 0.37 -1.92 0.09 0.00 -0.57 0.00 0.00 31.44 29.41 2p0p n GLU 41 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2p0p s PHE 42 N 0.36 2.14 0.62 -0.32 -0.12 -1.26 -4.42 117.98 114.98 2p0p s PHE 42 Ca 0.58 1.60 -0.17 0.00 -0.05 0.00 0.00 56.93 58.90 2p0p s PHE 42 Cb 0.30 -3.40 -0.02 0.00 -0.63 0.00 0.00 43.02 39.27 2p0p s PHE 42 CO -0.04 -2.43 1.13 -1.25 -0.05 0.00 0.00 175.22 172.58 2p0p s PRO 43 N -4.01 2.98 0.00 1.99 0.04 -1.26 -5.03 135.00 129.72 2p0p s PRO 43 Ca 0.72 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.27 2p0p s PRO 43 Cb -0.27 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2p0p s PRO 43 CO 0.45 -1.13 0.00 1.97 0.04 0.00 0.00 177.00 178.34 2p0p n PHE 44 N -1.97 -0.04 -4.26 0.56 -1.74 -0.23 -5.00 117.46 104.77 2p0p n PHE 44 Ca 0.11 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.86 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 -1.55 1.21 0.20 3.97 0.23 -1.25 -0.19 119.30 121.93 2p0p s MET 45 Ca 0.00 -1.62 -0.17 0.00 -1.03 0.00 0.00 55.69 52.88 2p0p s MET 45 Cb 0.00 -0.21 0.06 0.00 -1.53 0.00 0.00 34.83 33.15 2p0p s MET 45 CO 0.00 -0.21 0.82 0.41 -2.03 0.00 0.00 175.02 174.01 2p0p n GLY 46 N -0.32 0.82 3.22 3.16 0.00 -0.06 -1.06 105.19 110.95 2p0p n GLY 46 Ca -0.04 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 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 3.17 -0.40 1.61 2.47 0.17 -0.95 119.74 123.76 2p0p s LYS 47 Ca 0.18 -0.74 -0.29 0.00 -1.56 0.00 0.00 55.97 53.56 2p0p s LYS 47 Cb -0.03 -2.82 0.01 0.00 -1.46 0.00 0.00 37.83 33.54 2p0p s LYS 47 CO 0.06 -0.22 1.32 -0.46 0.16 0.00 0.00 175.35 176.21 2p0p s TRP 48 N 1.39 2.57 -0.10 4.03 -0.11 0.46 -0.83 118.94 126.34 2p0p s TRP 48 Ca 0.05 0.73 -0.05 0.00 1.22 0.00 0.00 56.10 58.05 2p0p s TRP 48 Cb -0.14 -4.25 -0.18 0.00 -1.50 0.00 0.00 33.47 27.40 2p0p s TRP 48 CO -0.08 -1.74 3.38 1.63 -4.62 0.00 0.00 176.95 175.53 2p0p n LYS 49 N 7.84 2.06 -1.67 5.86 4.76 -0.42 -1.08 118.16 135.52 2p0p n LYS 49 Ca 0.15 -1.27 -0.42 0.00 -2.87 0.00 0.00 58.31 53.89 2p0p n LYS 49 Cb 0.48 -2.00 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 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 2.09 2.83 -1.71 1.97 4.81 -0.72 -4.76 118.16 122.67 2p0p n LYS 50 Ca 0.43 1.04 -0.42 0.00 -0.87 0.00 0.00 58.31 58.49 2p0p n LYS 50 Cb 0.82 -2.98 -0.03 0.00 0.02 0.00 0.00 35.03 32.86 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 4.23 4.15 0.20 1.64 1.02 -1.26 -0.25 119.74 129.47 2p0p s LYS 51 Ca 0.88 2.56 -0.12 0.00 0.02 0.00 0.00 55.97 59.32 2p0p s LYS 51 Cb -0.45 -4.09 0.23 0.00 -0.52 0.00 0.00 37.83 33.00 2p0p s LYS 51 CO 0.42 -0.93 1.71 0.77 -0.92 0.00 0.00 175.35 176.39 2p0p h SER 52 N 10.28 -0.04 -0.36 2.83 0.02 -1.39 -3.45 113.55 121.44 2p0p h SER 52 Ca -0.48 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2p0p h SER 52 Cb 1.23 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2p0p h SER 52 CO 0.94 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 177.18 2p0p n ARG 53 N -5.14 0.00 -1.21 3.45 3.00 -1.26 -4.99 116.66 110.51 2p0p n ARG 53 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.48 2p0p n ARG 53 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.69 2p0p n ARG 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2p0p n LYS 54 N 0.00 1.65 -3.90 5.56 4.81 -1.26 -4.78 118.16 120.24 2p0p n LYS 54 Ca 0.00 -1.92 -0.08 0.00 -0.87 0.00 0.00 58.31 55.44 2p0p n LYS 54 Cb 0.00 -2.95 -0.03 0.00 0.02 0.00 0.00 35.03 32.07 2p0p n LYS 54 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2p0p s THR 55 N 4.80 0.00 0.00 3.15 -1.32 -1.26 -5.06 115.64 115.95 2p0p s THR 55 Ca 0.56 -1.14 0.27 0.00 -1.21 0.00 0.00 61.69 60.18 2p0p s THR 55 Cb 0.14 -2.16 0.31 0.00 -1.51 0.00 0.00 72.50 69.29 2p0p s THR 55 CO 0.10 0.00 1.83 0.28 -2.21 0.00 0.00 174.62 174.62 2p0p h SER 56 N 2.08 0.00 -4.11 8.08 0.02 -2.00 -3.43 113.55 114.19 2p0p h SER 56 Ca -0.23 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.18 2p0p h SER 56 Cb 1.25 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.93 2p0p h SER 56 CO 0.29 0.10 0.50 -0.89 -1.14 0.00 0.00 176.83 175.69 2p0p s THR 57 N -3.54 2.23 -0.00 -2.27 2.01 -1.26 -4.92 115.64 107.89 2p0p s THR 57 Ca 0.02 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.21 2p0p s THR 57 Cb 0.09 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 2p0p s THR 57 CO 0.61 -0.03 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.75 2p0p s ILE 58 N -1.47 1.03 -0.45 1.82 1.01 -1.26 -1.13 121.20 120.74 2p0p s ILE 58 Ca 0.81 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 2p0p s ILE 58 Cb -0.35 -0.87 0.08 0.00 0.01 0.00 0.00 42.46 41.33 2p0p s ILE 58 CO 0.38 0.25 0.34 -1.61 0.00 0.00 0.00 174.94 174.29 2p0p s GLU 59 N -0.42 2.80 -0.83 2.79 2.02 0.66 -4.79 118.70 120.92 2p0p s GLU 59 Ca 0.04 -1.43 -0.24 0.00 0.02 0.00 0.00 54.97 53.36 2p0p s GLU 59 Cb -0.05 -3.98 0.05 0.00 0.10 0.00 0.00 34.13 30.25 2p0p s GLU 59 CO -0.00 -1.02 1.27 -1.21 0.02 0.00 0.00 175.26 174.32 2p0p s GLU 60 N 1.53 3.34 -0.31 1.61 2.02 -1.26 -1.76 118.70 123.88 2p0p s GLU 60 Ca 0.04 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 54.15 2p0p s GLU 60 Cb -0.24 -4.62 -0.03 0.00 0.10 0.00 0.00 34.13 29.34 2p0p s GLU 60 CO 0.04 -2.08 0.28 0.21 0.02 0.00 0.00 175.26 173.73 2p0p s LYS 61 N 4.97 3.77 0.18 1.61 2.20 -0.24 -4.92 119.74 127.30 2p0p s LYS 61 Ca 0.36 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.33 2p0p s LYS 61 Cb -0.07 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 32.44 2p0p s LYS 61 CO 0.04 -0.34 1.34 0.99 -0.36 0.00 0.00 175.35 177.02 2p0p s THR 62 N 1.88 3.22 0.01 3.43 2.01 -1.26 -0.40 115.64 124.52 2p0p s THR 62 Ca 0.10 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.06 2p0p s THR 62 Cb -0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 2p0p s THR 62 CO 0.11 0.12 -0.02 0.68 -0.69 0.00 0.00 174.62 174.82 2p0p s VAL 63 N 0.40 0.10 -0.31 3.82 -7.23 -0.13 -1.48 120.40 115.57 2p0p s VAL 63 Ca 0.59 -0.55 -0.14 0.00 -1.81 0.00 0.00 61.98 60.07 2p0p s VAL 63 Cb -0.37 -0.18 -0.03 0.00 0.56 0.00 0.00 36.38 36.36 2p0p s VAL 63 CO 0.36 -0.28 0.33 -0.70 -0.31 0.00 0.00 175.10 174.49 2p0p s GLU 64 N -0.86 3.77 -0.46 4.82 2.12 -0.44 -0.88 118.70 126.77 2p0p s GLU 64 Ca -0.09 -0.27 -0.23 0.00 0.36 0.00 0.00 54.97 54.73 2p0p s GLU 64 Cb -0.06 -3.73 0.03 0.00 0.26 0.00 0.00 34.13 30.63 2p0p s GLU 64 CO -0.01 -0.38 0.80 0.08 -0.54 0.00 0.00 175.26 175.22 2p0p s VAL 65 N 1.97 4.63 0.15 3.70 1.01 0.74 -0.80 120.40 131.79 2p0p s VAL 65 Ca 0.11 0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.61 2p0p s VAL 65 Cb -0.16 -4.34 -0.15 0.00 0.00 0.00 0.00 36.38 31.72 2p0p s VAL 65 CO 0.11 -0.75 1.37 -0.07 0.00 0.00 0.00 175.10 175.76 2p0p h LEU 66 N 10.20 0.00 0.00 3.92 3.38 -1.20 -0.60 115.31 131.02 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 0.97 0.88 0.00 0.61 0.09 0.00 0.00 178.44 181.00 2p0p n GLY 67 N 1.05 -0.13 3.75 0.83 0.00 -1.25 -4.14 105.19 105.31 2p0p n GLY 67 Ca -0.00 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 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 2.81 1.05 1.61 -1.94 -1.26 -0.84 119.30 118.77 2p0p s MET 68 Ca 0.00 1.81 -0.12 0.00 -1.71 0.00 0.00 55.69 55.66 2p0p s MET 68 Cb 0.00 -1.91 0.22 0.00 2.01 0.00 0.00 34.83 35.15 2p0p s MET 68 CO 0.00 -1.33 1.07 0.00 -0.01 0.00 0.00 175.02 174.75 2p0p s ALA 69 N -1.68 0.44 0.43 3.03 0.00 -0.17 -4.37 121.76 119.44 2p0p s ALA 69 Ca 0.77 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.31 2p0p s ALA 69 Cb -0.30 -3.19 -0.12 0.00 0.00 0.00 0.00 23.12 19.51 2p0p s ALA 69 CO 0.36 -3.21 0.70 -2.30 0.00 0.00 0.00 175.76 171.31 2p0p n PRO 70 N -4.46 0.80 0.18 0.00 -0.02 -1.26 -4.82 135.00 125.41 2p0p n PRO 70 Ca 0.05 0.29 0.15 0.00 -2.02 0.00 0.00 63.50 61.96 2p0p n PRO 70 Cb 0.56 -1.69 0.74 0.00 -0.02 0.00 0.00 33.50 33.09 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 0.99 0.00 -0.60 2.55 2.03 -1.95 -1.47 116.42 117.96 2p0p h ASP 71 Ca -0.42 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 55.92 2p0p h ASP 71 Cb 1.38 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.85 2p0p h ASP 71 CO 0.53 0.00 0.40 -0.78 -1.03 0.00 0.00 179.24 178.36 2p0p h ASP 72 N 0.00 0.59 0.43 4.15 3.58 -2.02 -1.66 116.42 121.48 2p0p h ASP 72 Ca 0.09 -0.01 -0.30 0.00 0.42 0.00 0.00 57.03 57.24 2p0p h ASP 72 Cb 0.40 -0.14 0.02 0.00 1.72 0.00 0.00 39.33 41.33 2p0p h ASP 72 CO -0.00 0.40 -1.31 -0.33 -2.88 0.00 0.00 179.24 175.13 2p0p h GLU 73 N 0.69 0.42 -0.40 0.28 4.39 -1.62 -3.35 114.58 114.97 2p0p h GLU 73 Ca 0.24 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2p0p h GLU 73 Cb 0.12 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2p0p h GLU 73 CO -0.07 1.31 0.00 0.00 -1.16 0.00 0.00 179.01 179.09 2p0p n LEU 75 N -0.20 0.00 0.00 0.00 7.99 -1.14 -4.26 117.00 119.39 2p0p n LEU 75 Ca 0.00 0.47 0.00 0.00 -0.01 0.00 0.00 56.01 56.47 2p0p n LEU 75 Cb 0.10 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 42.94 2p0p n LEU 75 CO 0.00 -0.11 -0.07 2.29 -1.51 0.00 0.00 177.39 177.99 2p0p n LYS 76 N -1.47 0.31 -3.53 3.23 2.85 -1.25 -4.57 118.16 113.73 2p0p n LYS 76 Ca 0.06 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.19 2p0p n LYS 76 Cb 0.25 -0.57 -0.04 0.00 -0.65 0.00 0.00 35.03 34.02 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 -2.04 -0.47 -0.06 -5.58 2.15 -1.26 -5.05 116.67 104.37 2p0p s ASP 77 Ca 0.00 0.11 -0.25 0.00 0.43 0.00 0.00 52.55 52.84 2p0p s ASP 77 Cb 0.00 0.52 -0.03 0.00 -0.30 0.00 0.00 42.92 43.11 2p0p s ASP 77 CO 0.00 -0.80 0.76 -0.04 -0.17 0.00 0.00 175.17 174.93 2p0p s MET 78 N -2.89 4.45 0.12 4.34 -1.94 -1.26 -4.20 119.30 117.93 2p0p s MET 78 Ca -0.03 1.00 0.06 0.00 -1.71 0.00 0.00 55.69 55.01 2p0p s MET 78 Cb -0.00 -3.46 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 2p0p s MET 78 CO -0.05 0.02 -0.15 0.71 -0.01 0.00 0.00 175.02 175.54 2p0p s TYR 79 N 0.92 1.44 0.01 -0.03 2.02 -1.26 -1.00 117.35 119.45 2p0p s TYR 79 Ca 0.40 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 2p0p s TYR 79 Cb -0.18 -0.75 -0.01 0.00 -0.40 0.00 0.00 41.96 40.61 2p0p s TYR 79 CO 0.20 0.16 -0.03 0.14 -1.57 0.00 0.00 175.55 174.44 2p0p s VAL 80 N -2.04 0.17 0.26 0.71 -7.23 0.21 -1.00 120.40 111.48 2p0p s VAL 80 Ca 0.09 -0.56 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 2p0p s VAL 80 Cb -0.05 -0.24 -0.09 0.00 0.56 0.00 0.00 36.38 36.55 2p0p s VAL 80 CO 0.03 -0.25 0.96 -1.61 -0.31 0.00 0.00 175.10 173.92 2p0p s GLU 81 N -0.86 4.77 -0.02 4.82 2.02 -0.02 -0.68 118.70 128.73 2p0p s GLU 81 Ca -0.08 1.50 -0.01 0.00 0.02 0.00 0.00 54.97 56.40 2p0p s GLU 81 Cb -0.06 -3.17 0.01 0.00 0.10 0.00 0.00 34.13 31.01 2p0p s GLU 81 CO -0.00 0.43 0.05 0.14 0.02 0.00 0.00 175.26 175.89 2p0p s VAL 82 N -1.26 -0.02 -0.16 2.63 -7.23 -0.19 -0.76 120.40 113.41 2p0p s VAL 82 Ca 0.43 0.07 -0.10 0.00 -1.81 0.00 0.00 61.98 60.58 2p0p s VAL 82 Cb -0.25 -0.09 -0.05 0.00 0.56 0.00 0.00 36.38 36.55 2p0p s VAL 82 CO 0.32 0.03 0.17 0.00 -0.31 0.00 0.00 175.10 175.31 2p0p s ALA 83 N 0.39 3.74 -1.43 1.32 0.00 0.02 -0.46 121.76 125.34 2p0p s ALA 83 Ca -0.03 -0.61 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 2p0p s ALA 83 Cb -0.04 -2.15 0.06 0.00 0.00 0.00 0.00 23.12 20.98 2p0p s ALA 83 CO -0.01 0.31 2.27 -3.47 0.00 0.00 0.00 175.76 174.86 2p0p n ASP 84 N 2.95 5.23 0.03 0.00 2.03 -1.01 -1.33 116.55 124.46 2p0p n ASP 84 Ca -0.17 -2.89 0.02 0.00 0.52 0.00 0.00 54.79 52.28 2p0p n ASP 84 Cb 0.53 -1.58 0.12 0.00 -0.72 0.00 0.00 41.12 39.48 2p0p n ASP 84 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2p0p n ILE 85 N 4.19 1.79 0.78 5.18 -5.35 -1.19 -0.42 119.36 124.34 2p0p n ILE 85 Ca 0.54 0.54 0.11 0.00 -0.27 0.00 0.00 62.75 63.68 2p0p n ILE 85 Cb 0.35 -1.54 0.09 0.00 -1.74 0.00 0.00 39.64 36.80 2p0p n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p0p n GLY 86 N -1.43 -1.21 0.00 3.28 0.00 -0.55 -4.60 105.19 100.67 2p0p n GLY 86 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.43 0.00 0.04 -0.02 0.00 -0.53 -4.89 105.19 101.22 2p0p n GLY 87 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2p0p n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p0p n LYS 88 N -0.15 0.00 0.00 1.61 4.76 0.35 -5.04 118.16 119.69 2p0p n LYS 88 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2p0p n LYS 88 Cb 0.00 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 2p0p n LYS 88 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2p0p n ASP 89 N -1.63 0.00 -0.86 4.39 2.03 0.44 -4.50 116.55 116.43 2p0p n ASP 89 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 2p0p n ASP 89 Cb 0.05 -0.05 0.16 0.00 -0.72 0.00 0.00 41.12 40.56 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 2.99 -4.21 1.67 2.03 -1.26 -4.77 116.55 113.01 2p0p n ASP 90 Ca 0.00 -1.87 -0.12 0.00 0.52 0.00 0.00 54.79 53.31 2p0p n ASP 90 Cb 0.00 -0.20 -0.10 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.20 1.28 0.05 1.67 2.15 -1.26 -5.09 116.67 114.26 2p0p s ASP 91 Ca 0.29 -1.06 0.04 0.00 0.43 0.00 0.00 52.55 52.26 2p0p s ASP 91 Cb 0.17 0.08 -0.02 0.00 -0.30 0.00 0.00 42.92 42.85 2p0p s ASP 91 CO 0.23 -0.47 -0.13 -0.69 -0.17 0.00 0.00 175.17 173.95 2p0p s VAL 92 N -3.58 0.98 0.08 1.11 1.01 -1.26 -2.41 120.40 116.32 2p0p s VAL 92 Ca 0.16 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2p0p s VAL 92 Cb 0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 2p0p s VAL 92 CO -0.01 -0.13 0.06 -1.22 0.00 0.00 0.00 175.10 173.80 2p0p n TYR 93 N 1.67 -0.17 -4.62 5.22 4.01 0.40 -4.99 117.16 118.68 2p0p n TYR 93 Ca -0.20 -0.64 -0.29 0.00 -0.16 0.00 0.00 57.90 56.61 2p0p n TYR 93 Cb 0.55 0.06 -0.14 0.00 -0.31 0.00 0.00 39.34 39.50 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 -2.29 2.20 0.07 -0.72 2.01 -1.26 -1.02 115.64 114.64 2p0p s THR 94 Ca 0.09 -1.60 0.02 0.00 0.31 0.00 0.00 61.69 60.51 2p0p s THR 94 Cb 0.00 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 2p0p s THR 94 CO 0.06 0.21 -0.08 0.00 -0.69 0.00 0.00 174.62 174.13 2p0p s ALA 95 N -0.95 0.83 -0.01 7.40 0.00 0.14 -4.91 121.76 124.26 2p0p s ALA 95 Ca 0.13 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 2p0p s ALA 95 Cb -0.10 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 2p0p s ALA 95 CO 0.04 -0.12 1.35 0.15 0.00 0.00 0.00 175.76 177.19 2p0p s LYS 96 N -2.73 4.30 0.33 0.00 1.02 -1.26 -0.62 119.74 120.78 2p0p s LYS 96 Ca 0.02 1.89 0.01 0.00 0.02 0.00 0.00 55.97 57.91 2p0p s LYS 96 Cb -0.02 -3.56 0.57 0.00 -0.52 0.00 0.00 37.83 34.30 2p0p s LYS 96 CO -0.02 -0.54 1.99 1.25 -0.92 0.00 0.00 175.35 177.11 2p0p h LEU 97 N 8.25 0.78 -0.22 3.17 5.85 -1.37 -1.32 115.31 130.45 2p0p h LEU 97 Ca -0.37 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2p0p h LEU 97 Cb 1.18 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2p0p h LEU 97 CO 0.89 0.58 0.16 -1.20 -0.34 0.00 0.00 178.44 178.53 2p0p n SER 98 N -4.42 0.08 -0.06 1.25 7.64 -1.25 -1.51 113.62 115.35 2p0p n SER 98 Ca 0.07 0.41 0.03 0.00 1.01 0.00 0.00 58.87 60.38 2p0p n SER 98 Cb 0.05 -0.41 0.04 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.51 1.56 -4.59 6.43 2.03 -0.51 -5.04 116.55 114.91 2p0p n ASP 99 Ca -0.00 -2.10 -0.26 0.00 0.52 0.00 0.00 54.79 52.94 2p0p n ASP 99 Cb 0.16 -0.13 -0.09 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.21 3.30 -0.19 5.18 1.01 -0.57 -1.29 121.20 127.42 2p0p s ILE 100 Ca 0.08 -1.64 0.01 0.00 0.00 0.00 0.00 60.65 59.10 2p0p s ILE 100 Cb 0.07 -2.65 0.03 0.00 0.01 0.00 0.00 42.46 39.92 2p0p s ILE 100 CO 0.01 -0.14 -0.18 -0.70 0.00 0.00 0.00 174.94 173.93 2p0p s GLU 101 N -2.93 2.84 0.20 2.79 2.12 -0.01 -4.92 118.70 118.79 2p0p s GLU 101 Ca 0.26 -0.92 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 2p0p s GLU 101 Cb -0.09 -2.62 -0.08 0.00 0.26 0.00 0.00 34.13 31.61 2p0p s GLU 101 CO 0.16 -0.28 0.99 0.00 -0.54 0.00 0.00 175.26 175.60 2p0p s ALA 102 N 1.26 3.33 -0.03 6.30 0.00 -1.26 -0.65 121.76 130.71 2p0p s ALA 102 Ca 0.02 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.70 2p0p s ALA 102 Cb -0.14 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 2p0p s ALA 102 CO -0.11 0.03 -0.13 0.42 0.00 0.00 0.00 175.76 175.96 2p0p s ILE 103 N -0.73 1.11 -1.92 0.00 1.01 -0.22 -4.80 121.20 115.64 2p0p s ILE 103 Ca 0.44 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2p0p s ILE 103 Cb -0.27 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.25 2p0p s ILE 103 CO 0.33 0.33 0.00 -0.67 0.00 0.00 0.00 174.94 174.93 2p0p n ASP 104 N 3.09 -5.29 -4.83 3.58 2.03 -1.26 -3.80 116.55 110.07 2p0p n ASP 104 Ca -0.17 0.32 -0.30 0.00 0.52 0.00 0.00 54.79 55.16 2p0p n ASP 104 Cb 0.54 -4.60 0.08 0.00 -0.72 0.00 0.00 41.12 36.43 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 -2.77 3.02 0.69 5.18 -7.23 -1.26 -4.90 120.40 113.13 2p0p s VAL 105 Ca 0.00 0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 60.36 2p0p s VAL 105 Cb 0.00 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.81 2p0p s VAL 105 CO 0.00 -0.43 1.10 -0.62 -0.31 0.00 0.00 175.10 174.84 2p0p s ASP 106 N -4.06 4.95 0.20 4.85 2.15 -1.26 -4.83 116.67 118.67 2p0p s ASP 106 Ca 0.60 1.93 -0.10 0.00 0.43 0.00 0.00 52.55 55.41 2p0p s ASP 106 Cb -0.13 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 40.16 2p0p s ASP 106 CO 0.53 -1.73 1.81 -0.78 -0.17 0.00 0.00 175.17 174.83 2p0p h ASP 107 N -0.33 0.54 0.74 -0.34 3.58 -1.98 0.57 116.42 119.20 2p0p h ASP 107 Ca -0.46 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 56.90 2p0p h ASP 107 Cb 1.24 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2p0p h ASP 107 CO 0.53 0.35 -0.58 -0.78 -2.88 0.00 0.00 179.24 175.89 2p0p h ASP 108 N 0.67 0.00 0.02 2.28 3.58 -1.93 0.01 116.42 121.05 2p0p h ASP 108 Ca 0.28 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 2p0p h ASP 108 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2p0p h ASP 108 CO -0.17 0.58 -0.01 0.74 -2.88 0.00 0.00 179.24 177.50 2p0p h THR 109 N 0.00 1.27 -0.40 2.25 2.02 -1.66 -2.22 112.91 114.17 2p0p h THR 109 Ca -0.01 -0.94 0.03 0.00 0.77 0.00 0.00 66.41 66.27 2p0p h THR 109 Cb 1.11 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 2p0p h THR 109 CO 0.08 0.24 0.20 -0.61 0.37 0.00 0.00 175.52 175.80 2p0p h GLN 110 N -0.44 0.40 -0.56 6.66 -0.00 -0.59 -1.97 115.11 118.60 2p0p h GLN 110 Ca -0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.57 2p0p h GLN 110 Cb 0.42 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.78 2p0p h GLN 110 CO 0.01 0.26 0.15 0.93 0.00 0.00 0.00 178.83 180.18 2p0p h GLU 111 N 0.41 0.86 -0.28 1.69 4.39 -1.03 0.11 114.58 120.72 2p0p h GLU 111 Ca 0.17 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2p0p h GLU 111 Cb 0.08 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2p0p h GLU 111 CO -0.12 0.76 0.02 0.00 -1.16 0.00 0.00 179.01 178.51 2p0p h ALA 112 N 1.34 0.37 -0.15 3.43 0.00 -0.91 -0.52 119.26 122.82 2p0p h ALA 112 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2p0p h ALA 112 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2p0p h ALA 112 CO -0.00 0.09 0.04 0.82 0.00 0.00 0.00 179.25 180.19 2p0p h ILE 113 N 0.28 1.19 -0.45 0.00 2.04 -1.05 -2.13 117.51 117.39 2p0p h ILE 113 Ca 0.08 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.35 2p0p h ILE 113 Cb 0.38 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2p0p h ILE 113 CO 0.01 0.18 0.28 0.00 0.00 0.00 0.00 178.15 178.63 2p0p h ALA 114 N 0.85 0.57 -0.14 1.87 0.00 -0.72 -1.01 119.26 120.69 2p0p h ALA 114 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2p0p h ALA 114 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2p0p h ALA 114 CO -0.00 -0.01 -0.45 0.22 0.00 0.00 0.00 179.25 179.01 2p0p h ASP 115 N 0.58 0.35 -0.31 0.00 3.58 -1.01 0.61 116.42 120.22 2p0p h ASP 115 Ca 0.17 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2p0p h ASP 115 Cb -0.03 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 2p0p h ASP 115 CO -0.06 0.76 0.11 -0.25 -2.88 0.00 0.00 179.24 176.92 2p0p h TRP 116 N 0.27 0.48 -0.57 0.28 2.91 -1.10 0.11 115.95 118.33 2p0p h TRP 116 Ca 0.02 -0.04 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 2p0p h TRP 116 Cb 0.90 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.38 2p0p h TRP 116 CO 0.02 0.48 0.34 -0.07 -1.03 0.00 0.00 178.44 178.18 2p0p h LEU 117 N 0.35 0.70 -0.14 0.65 3.38 -0.69 -0.71 115.31 118.84 2p0p h LEU 117 Ca 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2p0p h LEU 117 Cb 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2p0p h LEU 117 CO -0.01 0.56 0.08 1.88 0.09 0.00 0.00 178.44 181.04 2p0p h TYR 118 N 0.78 0.20 -0.68 1.13 0.05 -0.81 -1.11 116.97 116.54 2p0p h TYR 118 Ca 0.21 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.07 2p0p h TYR 118 Cb -0.00 -0.06 -0.07 0.00 1.01 0.00 0.00 36.73 37.60 2p0p h TYR 118 CO -0.02 0.22 0.31 2.35 -1.05 0.00 0.00 178.16 179.97 2p0p h TRP 119 N 0.13 0.56 -0.34 4.88 2.91 -0.63 -1.24 115.95 122.21 2p0p h TRP 119 Ca 0.05 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 2p0p h TRP 119 Cb 0.09 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 2p0p h TRP 119 CO -0.04 0.19 0.09 -0.07 -1.03 0.00 0.00 178.44 177.59 2p0p h LEU 120 N 0.54 0.51 -1.94 0.65 3.38 -0.92 -2.90 115.31 114.63 2p0p h LEU 120 Ca 0.33 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2p0p h LEU 120 Cb 0.37 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2p0p h LEU 120 CO -0.28 0.60 -0.10 0.00 0.09 0.00 0.00 178.44 178.75 2p0p h ALA 121 N 0.93 1.63 0.00 1.53 0.00 -0.21 -0.36 119.26 122.78 2p0p h ALA 121 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2p0p h ALA 121 Cb 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2p0p h ALA 121 CO -0.00 0.12 -0.03 0.00 0.00 0.00 0.00 179.25 179.34 2p0p h ARG 122 N 0.00 0.00 0.00 0.00 3.08 -1.06 -3.43 114.38 112.97 2p0p h ARG 122 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2p0p h ARG 122 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2p0p h ARG 122 CO 0.01 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 2p0p n GLY 123 N -1.33 0.28 2.95 0.04 0.00 -0.17 -4.14 105.19 102.82 2p0p n GLY 123 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.17 -0.02 1.61 4.19 -1.08 -4.93 117.16 113.75 2p0p n TYR 124 Ca 0.00 1.34 -0.10 0.00 3.31 0.00 0.00 57.90 62.45 2p0p n TYR 124 Cb 0.00 -3.40 -0.04 0.00 0.49 0.00 0.00 39.34 36.40 2p0p n TYR 124 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 2p0p h LYS 125 N 2.51 0.09 0.00 2.98 1.79 -1.93 -3.51 116.57 118.50 2p0p h LYS 125 Ca -0.09 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2p0p h LYS 125 Cb 0.75 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2p0p h LYS 125 CO 0.15 0.06 0.00 1.19 -1.08 0.00 0.00 179.45 179.77