#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0p n ALA 2 N 0.00 0.66 0.27 -5.12 0.00 -1.26 -4.65 120.51 110.41 2p0p n ALA 2 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2p0p n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2p0p n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2p0p n SER 3 N -0.00 3.53 0.13 0.00 7.64 -1.26 -4.27 113.62 119.39 2p0p n SER 3 Ca 0.00 -1.96 0.11 0.00 1.01 0.00 0.00 58.87 58.03 2p0p n SER 3 Cb 0.19 -0.68 0.50 0.00 -1.01 0.00 0.00 64.21 63.20 2p0p n SER 3 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2p0p n VAL 4 N 1.02 0.98 0.07 0.44 0.31 -1.26 -2.22 118.33 117.67 2p0p n VAL 4 Ca 0.00 0.45 0.04 0.00 -0.01 0.00 0.00 64.34 64.82 2p0p n VAL 4 Cb 0.43 -1.40 0.22 0.00 -0.91 0.00 0.00 33.84 32.18 2p0p n VAL 4 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2p0p n GLU 5 N -2.17 0.05 0.27 5.55 2.13 -1.26 -1.85 120.64 123.36 2p0p n GLU 5 Ca 0.01 0.52 0.17 0.00 0.66 0.00 0.00 57.16 58.51 2p0p n GLU 5 Cb 0.14 -1.75 0.81 0.00 0.27 0.00 0.00 31.44 30.91 2p0p n GLU 5 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 2p0p h ARG 6 N 0.00 0.00 -2.65 5.31 0.11 -1.83 -3.08 114.38 112.24 2p0p h ARG 6 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 2p0p h ARG 6 Cb 0.15 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 30.82 2p0p h ARG 6 CO 0.00 0.00 -0.75 -3.47 0.10 0.00 0.00 179.97 175.85 2p0p n ASP 7 N -3.14 1.74 0.33 0.08 2.03 -0.77 -4.97 116.55 111.86 2p0p n ASP 7 Ca 0.00 -2.93 0.19 0.00 0.52 0.00 0.00 54.79 52.58 2p0p n ASP 7 Cb 0.43 -0.67 1.02 0.00 -0.72 0.00 0.00 41.12 41.18 2p0p n ASP 7 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2p0p h GLU 8 N 5.20 0.00 -0.67 -0.67 5.08 -1.77 -2.52 114.58 119.23 2p0p h GLU 8 Ca 0.19 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.68 2p0p h GLU 8 Cb 0.80 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.95 2p0p h GLU 8 CO 0.60 0.00 0.15 1.15 -1.00 0.00 0.00 179.01 179.91 2p0p h THR 9 N 0.00 0.58 -0.42 1.13 2.02 -1.93 -0.30 112.91 113.99 2p0p h THR 9 Ca 0.00 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 2p0p h THR 9 Cb 0.33 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2p0p h THR 9 CO -0.00 0.05 -0.20 -0.09 0.37 0.00 0.00 175.52 175.65 2p0p h ARG 10 N 0.27 0.83 -0.22 6.66 9.65 -1.84 -0.08 114.38 129.65 2p0p h ARG 10 Ca 0.36 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2p0p h ARG 10 Cb 0.58 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 2p0p h ARG 10 CO -0.46 0.96 0.09 0.93 2.80 0.00 0.00 179.97 184.28 2p0p h GLU 11 N 0.72 0.33 -0.18 0.20 4.39 -1.42 -0.25 114.58 118.38 2p0p h GLU 11 Ca 0.10 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2p0p h GLU 11 Cb 0.72 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2p0p h GLU 11 CO 0.06 0.39 0.06 0.45 -1.16 0.00 0.00 179.01 178.80 2p0p h HIS 12 N 0.20 0.29 -0.33 4.33 3.86 -0.97 -2.81 115.15 119.72 2p0p h HIS 12 Ca 0.07 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 2p0p h HIS 12 Cb 0.18 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2p0p h HIS 12 CO -0.01 0.38 -0.07 0.00 0.86 0.00 0.00 177.93 179.09 2p0p h ARG 13 N 0.11 0.63 -0.58 2.45 3.08 -0.84 -1.63 114.38 117.61 2p0p h ARG 13 Ca 0.06 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2p0p h ARG 13 Cb 0.22 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2p0p h ARG 13 CO -0.00 0.80 0.32 0.97 -1.07 0.00 0.00 179.97 180.98 2p0p h ILE 14 N 0.42 1.19 -0.93 2.04 2.10 -1.10 -0.89 117.51 120.34 2p0p h ILE 14 Ca 0.09 -0.48 0.06 0.00 1.08 0.00 0.00 64.86 65.60 2p0p h ILE 14 Cb 0.56 0.46 -0.06 0.00 -1.09 0.00 0.00 36.82 36.68 2p0p h ILE 14 CO 0.03 0.21 0.61 -0.08 -1.08 0.00 0.00 178.15 177.83 2p0p h GLU 15 N 0.78 1.05 -0.02 2.19 4.57 -1.31 -1.38 114.58 120.46 2p0p h GLU 15 Ca 0.20 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2p0p h GLU 15 Cb 0.05 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 2p0p h GLU 15 CO -0.03 0.70 -0.33 0.25 -1.18 0.00 0.00 179.01 178.42 2p0p n THR 16 N -4.49 0.00 0.00 0.32 -2.24 -0.63 -2.44 114.28 104.80 2p0p n THR 16 Ca 0.14 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2p0p n THR 16 Cb 0.18 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 2p0p n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2p0p n GLU 17 N 0.38 2.52 0.00 -0.78 1.02 -0.39 -4.72 120.64 118.67 2p0p n GLU 17 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2p0p n GLU 17 Cb 0.50 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2p0p n ILE 18 N -0.84 0.00 -0.20 -3.67 5.41 -0.56 -4.76 119.36 114.75 2p0p n ILE 18 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2p0p n ILE 18 Cb 0.10 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 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 -2.01 0.76 -0.07 1.39 -5.35 -0.99 -4.55 119.36 108.54 2p0p n ILE 19 Ca 0.00 -0.78 0.02 0.00 -0.27 0.00 0.00 62.75 61.72 2p0p n ILE 19 Cb 0.47 0.63 0.33 0.00 -1.74 0.00 0.00 39.64 39.33 2p0p n ILE 19 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 2p0p h VAL 20 N 0.58 1.16 0.00 7.28 3.04 -1.69 -2.10 116.25 124.52 2p0p h VAL 20 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2p0p h VAL 20 Cb 0.58 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 2p0p h VAL 20 CO 0.00 0.17 0.00 -0.67 -1.01 0.00 0.00 177.57 176.06 2p0p n ASP 21 N -4.41 0.00 -4.07 3.17 2.03 -1.26 -4.82 116.55 107.19 2p0p n ASP 21 Ca 0.04 -1.20 -0.22 0.00 0.52 0.00 0.00 54.79 53.93 2p0p n ASP 21 Cb 0.10 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.35 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 -2.00 1.11 0.00 -1.67 0.00 -0.79 -5.04 121.76 113.37 2p0p s ALA 22 Ca 0.36 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2p0p s ALA 22 Cb 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2p0p s ALA 22 CO 0.28 0.23 0.11 0.39 0.00 0.00 0.00 175.76 176.78 2p0p n GLU 23 N 2.97 2.79 -4.24 0.00 -0.58 -1.26 -4.87 120.64 115.46 2p0p n GLU 23 Ca -0.16 -0.11 -0.19 0.00 -0.42 0.00 0.00 57.16 56.27 2p0p n GLU 23 Cb 0.55 -0.50 -0.12 0.00 -0.57 0.00 0.00 31.44 30.79 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 -0.43 1.75 0.45 1.62 -1.08 -1.26 -5.06 116.67 112.67 2p0p s ASP 24 Ca 0.00 -0.57 0.17 0.00 -0.52 0.00 0.00 52.55 51.63 2p0p s ASP 24 Cb 0.00 -0.08 1.12 0.00 -1.46 0.00 0.00 42.92 42.51 2p0p s ASP 24 CO 0.00 -0.03 1.95 0.07 0.52 0.00 0.00 175.17 177.68 2p0p h LYS 25 N 4.48 0.31 -0.49 4.34 2.10 -1.96 -0.52 116.57 124.84 2p0p h LYS 25 Ca -0.40 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.16 2p0p h LYS 25 Cb 1.19 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.43 2p0p h LYS 25 CO 0.41 0.21 0.03 0.93 -2.00 0.00 0.00 179.45 179.03 2p0p h GLU 26 N 0.32 0.85 -0.49 0.07 5.08 -1.94 -0.36 114.58 118.11 2p0p h GLU 26 Ca 0.33 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 2p0p h GLU 26 Cb 0.83 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2p0p h GLU 26 CO -0.08 0.88 -0.10 0.93 -1.00 0.00 0.00 179.01 179.63 2p0p h GLU 27 N 0.71 0.90 0.00 2.33 5.08 -1.53 -2.62 114.58 119.45 2p0p h GLU 27 Ca 0.14 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 2p0p h GLU 27 Cb 0.47 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2p0p h GLU 27 CO 0.02 0.96 -0.52 0.00 -1.00 0.00 0.00 179.01 178.47 2p0p h ARG 28 N 0.81 0.00 -0.87 2.33 3.08 -0.91 -0.22 114.38 118.59 2p0p h ARG 28 Ca 0.13 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 2p0p h ARG 28 Cb 0.63 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 2p0p h ARG 28 CO 0.04 0.52 0.44 0.00 -1.07 0.00 0.00 179.97 179.90 2p0p h ALA 29 N 1.48 1.13 -0.50 0.04 0.00 -0.83 -1.63 119.26 118.96 2p0p h ALA 29 Ca -0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2p0p h ALA 29 Cb 0.93 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2p0p h ALA 29 CO 0.07 0.67 -0.15 0.52 0.00 0.00 0.00 179.25 180.36 2p0p h MET 30 N 1.23 0.97 -0.06 0.00 2.86 -0.97 0.02 114.93 118.98 2p0p h MET 30 Ca 0.30 -0.37 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2p0p h MET 30 Cb 0.08 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 2p0p h MET 30 CO -0.04 1.04 -0.17 0.78 1.06 0.00 0.00 176.91 179.57 2p0p h GLY 31 N 0.93 -0.18 0.33 8.32 0.00 -0.74 0.79 103.07 112.53 2p0p h GLY 31 Ca 0.13 0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.71 2p0p h GLY 31 CO 0.05 -0.16 -0.24 1.49 0.00 0.00 0.00 176.54 177.68 2p0p h TRP 32 N -0.25 -0.65 -0.36 5.60 4.06 -1.23 -2.86 115.95 120.26 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 0.36 0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.77 2p0p h TRP 32 CO -0.25 -0.33 0.08 -0.92 -3.56 0.00 0.00 178.44 173.46 2p0p h TYR 33 N -0.33 0.14 0.16 0.49 3.20 -0.39 -0.76 116.97 119.48 2p0p h TYR 33 Ca 0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2p0p h TYR 33 Cb 0.46 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2p0p h TYR 33 CO -0.32 0.03 -0.08 1.88 -1.64 0.00 0.00 178.16 178.03 2p0p h TYR 34 N 0.21 -0.21 -0.19 -3.82 0.05 -0.72 0.02 116.97 112.31 2p0p h TYR 34 Ca 0.17 -0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.78 2p0p h TYR 34 Cb 0.19 0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 2p0p h TYR 34 CO -0.18 -0.06 -0.55 0.10 -1.05 0.00 0.00 178.16 176.42 2p0p h TYR 35 N -0.31 0.71 0.14 4.88 -0.00 -1.41 -2.31 116.97 118.68 2p0p h TYR 35 Ca -0.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 58.73 58.45 2p0p h TYR 35 Cb 0.24 -0.13 0.00 0.00 -0.00 0.00 0.00 36.73 36.84 2p0p h TYR 35 CO -0.04 0.99 -0.07 1.25 -0.00 0.00 0.00 178.16 180.30 2p0p h LEU 36 N 0.44 -0.15 -1.03 0.10 5.85 -0.96 -1.09 115.31 118.47 2p0p h LEU 36 Ca 0.01 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2p0p h LEU 36 Cb 1.10 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 2p0p h LEU 36 CO 0.10 0.09 0.65 -0.78 -0.34 0.00 0.00 178.44 178.16 2p0p h ASP 37 N -0.40 1.11 0.39 1.25 3.58 -1.02 0.79 116.42 122.11 2p0p h ASP 37 Ca -0.02 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2p0p h ASP 37 Cb 0.32 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2p0p h ASP 37 CO 0.03 0.78 -0.14 -0.78 -2.88 0.00 0.00 179.24 176.25 2p0p h ASP 38 N 1.29 0.00 0.16 2.28 3.58 -1.25 -3.26 116.42 119.22 2p0p h ASP 38 Ca 0.38 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.47 2p0p h ASP 38 Cb -0.07 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 40.93 2p0p h ASP 38 CO -0.10 0.14 -2.12 0.41 -2.88 0.00 0.00 179.24 174.69 2p0p n THR 39 N -3.70 1.60 -1.67 2.25 -1.04 -0.18 -4.90 114.28 106.64 2p0p n THR 39 Ca -0.02 -0.71 -0.43 0.00 -2.04 0.00 0.00 64.05 60.86 2p0p n THR 39 Cb 0.26 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 67.49 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 -3.18 4.09 -2.00 -4.42 4.77 0.09 -4.42 117.00 111.93 2p0p n LEU 40 Ca -0.32 0.93 -0.13 0.00 -0.03 0.00 0.00 56.01 56.46 2p0p n LEU 40 Cb 1.06 -1.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.49 2p0p n LEU 40 CO 0.39 0.18 1.54 -0.62 -1.33 0.00 0.00 177.39 177.55 2p0p n GLU 41 N 7.05 1.93 -1.38 3.23 -0.58 -1.26 -4.96 120.64 124.67 2p0p n GLU 41 Ca 0.20 -1.07 -0.33 0.00 -0.42 0.00 0.00 57.16 55.54 2p0p n GLU 41 Cb 0.39 -1.90 0.09 0.00 -0.57 0.00 0.00 31.44 29.46 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 0.50 2.13 0.64 -0.32 -0.12 -1.26 -4.41 117.98 115.14 2p0p s PHE 42 Ca 0.58 1.61 -0.16 0.00 -0.05 0.00 0.00 56.93 58.91 2p0p s PHE 42 Cb 0.29 -3.37 -0.01 0.00 -0.63 0.00 0.00 43.02 39.30 2p0p s PHE 42 CO -0.03 -2.41 1.13 -1.25 -0.05 0.00 0.00 175.22 172.60 2p0p s PRO 43 N -4.11 2.87 0.06 1.99 0.04 -1.26 -5.02 135.00 129.58 2p0p s PRO 43 Ca 0.71 1.48 0.01 0.00 0.04 0.00 0.00 61.00 63.24 2p0p s PRO 43 Cb -0.26 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 2p0p s PRO 43 CO 0.47 -1.21 0.06 1.97 0.04 0.00 0.00 177.00 178.33 2p0p n PHE 44 N -2.18 -0.33 -4.38 0.56 -1.74 -0.28 -5.01 117.46 104.11 2p0p n PHE 44 Ca 0.11 -0.46 -0.19 0.00 -0.56 0.00 0.00 57.45 56.35 2p0p n PHE 44 Cb 0.52 0.07 -0.10 0.00 1.52 0.00 0.00 39.48 41.48 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 -2.20 1.46 0.15 3.97 0.23 -1.25 -0.25 119.30 121.41 2p0p s MET 45 Ca 0.06 -1.76 -0.13 0.00 -1.03 0.00 0.00 55.69 52.83 2p0p s MET 45 Cb 0.00 -0.73 0.05 0.00 -1.53 0.00 0.00 34.83 32.62 2p0p s MET 45 CO 0.04 -0.12 0.64 0.41 -2.03 0.00 0.00 175.02 173.97 2p0p n GLY 46 N -0.52 0.94 3.16 3.16 0.00 -0.14 -1.14 105.19 110.65 2p0p n GLY 46 Ca -0.04 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 2p0p n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2p0p s LYS 47 N -2.04 3.07 -0.47 1.61 2.47 0.29 -0.94 119.74 123.73 2p0p s LYS 47 Ca 0.14 -0.79 -0.29 0.00 -1.56 0.00 0.00 55.97 53.47 2p0p s LYS 47 Cb -0.02 -2.64 0.02 0.00 -1.46 0.00 0.00 37.83 33.73 2p0p s LYS 47 CO 0.04 -0.18 1.30 -0.46 0.16 0.00 0.00 175.35 176.21 2p0p s TRP 48 N 1.26 2.55 -0.09 4.03 -0.11 0.38 -1.06 118.94 125.91 2p0p s TRP 48 Ca 0.04 0.64 -0.05 0.00 1.22 0.00 0.00 56.10 57.95 2p0p s TRP 48 Cb -0.14 -4.39 -0.17 0.00 -1.50 0.00 0.00 33.47 27.28 2p0p s TRP 48 CO -0.10 -1.69 3.24 1.63 -4.62 0.00 0.00 176.95 175.41 2p0p n LYS 49 N 8.12 1.94 -1.68 5.86 4.76 -0.60 -1.43 118.16 135.13 2p0p n LYS 49 Ca 0.14 -1.13 -0.47 0.00 -2.87 0.00 0.00 58.31 53.97 2p0p n LYS 49 Cb 0.49 -1.89 -0.04 0.00 -1.84 0.00 0.00 35.03 31.74 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 2.03 2.23 -0.47 1.97 4.81 0.01 -4.57 118.16 124.17 2p0p n LYS 50 Ca 0.39 0.81 -0.02 0.00 -0.87 0.00 0.00 58.31 58.62 2p0p n LYS 50 Cb 0.80 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 33.21 2p0p n LYS 50 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2p0p n LYS 51 N 5.79 1.08 0.00 1.64 4.81 -1.26 -0.42 118.16 129.80 2p0p n LYS 51 Ca 0.21 -0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2p0p n LYS 51 Cb 0.30 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.29 2p0p n LYS 51 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2p0p n SER 52 N 1.25 0.00 0.00 3.14 7.64 -0.89 -3.64 113.62 121.12 2p0p n SER 52 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2p0p n SER 52 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2p0p n SER 52 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2p0p n ARG 53 N 14.00 2.35 0.05 1.43 3.00 -1.26 -4.86 116.66 131.36 2p0p n ARG 53 Ca 0.00 0.00 0.21 0.00 -0.01 0.00 0.00 57.85 58.05 2p0p n ARG 53 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 32.46 33.19 2p0p n ARG 53 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2p0p h LYS 54 N 0.00 0.00 -0.57 5.56 3.64 -2.01 -0.23 116.57 122.96 2p0p h LYS 54 Ca 0.00 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.54 2p0p h LYS 54 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2p0p h LYS 54 CO 0.00 0.00 0.54 1.79 -2.27 0.00 0.00 179.45 179.51 2p0p h THR 55 N 0.00 0.40 0.00 1.00 1.35 -1.92 -3.45 112.91 110.29 2p0p h THR 55 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 2p0p h THR 55 Cb 1.16 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2p0p h THR 55 CO -0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 2p0p n SER 56 N -3.83 -0.87 -4.77 5.36 7.64 -0.10 -4.95 113.62 112.10 2p0p n SER 56 Ca 0.11 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.60 2p0p n SER 56 Cb 0.76 -2.47 -0.06 0.00 -1.01 0.00 0.00 64.21 61.43 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 -0.93 4.18 0.34 0.44 2.01 -1.26 -4.82 115.64 115.61 2p0p s THR 57 Ca 0.00 1.91 -0.26 0.00 0.31 0.00 0.00 61.69 63.65 2p0p s THR 57 Cb 0.00 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 2p0p s THR 57 CO 0.00 0.36 1.01 -0.63 -0.69 0.00 0.00 174.62 174.67 2p0p s ILE 58 N -1.35 3.90 0.14 1.82 1.01 -1.26 -2.10 121.20 123.37 2p0p s ILE 58 Ca 0.44 1.60 0.07 0.00 0.00 0.00 0.00 60.65 62.76 2p0p s ILE 58 Cb -0.23 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2p0p s ILE 58 CO 0.28 0.15 -0.16 -1.61 0.00 0.00 0.00 174.94 173.60 2p0p s GLU 59 N -2.07 1.11 -0.26 2.79 2.02 0.44 -4.92 118.70 117.82 2p0p s GLU 59 Ca 0.52 -1.29 0.01 0.00 0.02 0.00 0.00 54.97 54.22 2p0p s GLU 59 Cb -0.22 -1.07 0.07 0.00 0.10 0.00 0.00 34.13 33.00 2p0p s GLU 59 CO 0.28 0.21 -0.01 -1.21 0.02 0.00 0.00 175.26 174.56 2p0p s GLU 60 N -2.68 1.37 -0.22 1.61 2.02 -1.26 -0.81 118.70 118.74 2p0p s GLU 60 Ca 0.11 -1.07 -0.04 0.00 0.02 0.00 0.00 54.97 53.99 2p0p s GLU 60 Cb -0.05 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 2p0p s GLU 60 CO 0.04 -0.71 -0.04 0.21 0.02 0.00 0.00 175.26 174.79 2p0p s LYS 61 N 1.41 3.41 0.16 1.61 2.20 -0.52 -4.95 119.74 123.06 2p0p s LYS 61 Ca -0.01 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 2p0p s LYS 61 Cb -0.18 -3.02 -0.08 0.00 -1.51 0.00 0.00 37.83 33.04 2p0p s LYS 61 CO -0.10 -0.17 1.28 0.99 -0.36 0.00 0.00 175.35 176.99 2p0p s THR 62 N 1.42 3.45 0.04 3.43 2.01 -1.26 -0.47 115.64 124.26 2p0p s THR 62 Ca 0.05 1.14 -0.02 0.00 0.31 0.00 0.00 61.69 63.17 2p0p s THR 62 Cb -0.14 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 2p0p s THR 62 CO -0.02 0.14 -0.00 0.68 -0.69 0.00 0.00 174.62 174.73 2p0p s VAL 63 N 0.42 0.16 -0.29 3.82 -7.23 -0.11 -1.91 120.40 115.27 2p0p s VAL 63 Ca 0.58 -1.35 -0.07 0.00 -1.81 0.00 0.00 61.98 59.33 2p0p s VAL 63 Cb -0.34 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 35.65 2p0p s VAL 63 CO 0.35 -0.74 0.08 -0.70 -0.31 0.00 0.00 175.10 173.77 2p0p s GLU 64 N -2.79 3.19 -0.37 4.82 2.12 -0.39 -0.97 118.70 124.31 2p0p s GLU 64 Ca -0.04 -0.79 -0.24 0.00 0.36 0.00 0.00 54.97 54.27 2p0p s GLU 64 Cb -0.00 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 31.03 2p0p s GLU 64 CO -0.06 -0.40 0.83 0.08 -0.54 0.00 0.00 175.26 175.17 2p0p s VAL 65 N 1.52 4.68 0.02 3.70 1.01 0.66 -0.57 120.40 131.42 2p0p s VAL 65 Ca 0.03 0.96 0.10 0.00 0.00 0.00 0.00 61.98 63.07 2p0p s VAL 65 Cb -0.17 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.84 2p0p s VAL 65 CO 0.03 -0.48 1.34 -0.07 0.00 0.00 0.00 175.10 175.91 2p0p h LEU 66 N 9.87 0.00 0.00 3.92 3.38 -1.12 -0.73 115.31 130.63 2p0p h LEU 66 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2p0p h LEU 66 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2p0p h LEU 66 CO 0.94 0.82 0.00 0.61 0.09 0.00 0.00 178.44 180.90 2p0p n GLY 67 N 1.30 0.06 3.75 0.83 0.00 -1.24 -4.06 105.19 105.84 2p0p n GLY 67 Ca 0.01 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 2p0p n GLY 67 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2p0p s MET 68 N -1.86 2.96 1.04 1.61 -1.94 -1.26 -0.76 119.30 119.10 2p0p s MET 68 Ca 0.00 1.89 -0.12 0.00 -1.71 0.00 0.00 55.69 55.74 2p0p s MET 68 Cb 0.00 -1.96 0.21 0.00 2.01 0.00 0.00 34.83 35.09 2p0p s MET 68 CO 0.00 -1.23 1.07 0.00 -0.01 0.00 0.00 175.02 174.85 2p0p s ALA 69 N -1.54 0.54 0.32 3.03 0.00 -0.20 -4.38 121.76 119.53 2p0p s ALA 69 Ca 0.77 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 2p0p s ALA 69 Cb -0.32 -3.17 -0.14 0.00 0.00 0.00 0.00 23.12 19.49 2p0p s ALA 69 CO 0.35 -3.13 0.84 -2.30 0.00 0.00 0.00 175.76 171.52 2p0p n PRO 70 N -4.40 0.99 0.17 0.00 -0.02 -1.26 -4.80 135.00 125.68 2p0p n PRO 70 Ca 0.05 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 2p0p n PRO 70 Cb 0.56 -1.67 0.71 0.00 -0.02 0.00 0.00 33.50 33.08 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 1.55 0.00 -0.08 2.55 2.03 -1.95 -1.09 116.42 119.42 2p0p h ASP 71 Ca -0.38 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.91 2p0p h ASP 71 Cb 1.37 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.86 2p0p h ASP 71 CO 0.58 0.00 0.03 -0.78 -1.03 0.00 0.00 179.24 178.04 2p0p h ASP 72 N 0.00 0.14 0.59 4.15 3.58 -2.03 -1.89 116.42 120.97 2p0p h ASP 72 Ca 0.09 -0.01 -0.28 0.00 0.42 0.00 0.00 57.03 57.25 2p0p h ASP 72 Cb 0.39 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 2p0p h ASP 72 CO -0.00 0.15 -1.50 -0.33 -2.88 0.00 0.00 179.24 174.68 2p0p h GLU 73 N 0.16 0.08 -0.66 0.28 5.08 -1.56 -3.37 114.58 114.59 2p0p h GLU 73 Ca 0.04 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2p0p h GLU 73 Cb 0.07 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2p0p h GLU 73 CO -0.00 0.82 0.00 0.00 -1.00 0.00 0.00 179.01 178.83 2p0p n LEU 75 N 0.03 0.55 0.00 0.00 7.99 -1.21 -4.23 117.00 120.13 2p0p n LEU 75 Ca 0.00 0.62 0.00 0.00 -0.01 0.00 0.00 56.01 56.62 2p0p n LEU 75 Cb 0.17 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 42.95 2p0p n LEU 75 CO 0.00 -0.44 -0.04 2.29 -1.51 0.00 0.00 177.39 177.69 2p0p n LYS 76 N -2.09 3.69 -3.70 3.23 2.85 -1.25 -4.68 118.16 116.21 2p0p n LYS 76 Ca 0.03 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 2p0p n LYS 76 Cb 0.25 -0.54 -0.07 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 -0.51 -0.27 -1.25 -5.58 -1.08 -1.26 -4.74 116.67 101.99 2p0p s ASP 77 Ca 0.00 0.09 -0.19 0.00 -0.52 0.00 0.00 52.55 51.93 2p0p s ASP 77 Cb 0.00 0.38 0.05 0.00 -1.46 0.00 0.00 42.92 41.89 2p0p s ASP 77 CO 0.00 -0.56 1.73 -0.04 0.52 0.00 0.00 175.17 176.83 2p0p s MET 78 N -1.85 3.75 0.48 4.34 -1.94 -1.26 -4.27 119.30 118.55 2p0p s MET 78 Ca -0.09 -1.78 -0.20 0.00 -1.71 0.00 0.00 55.69 51.90 2p0p s MET 78 Cb -0.03 -5.48 -0.09 0.00 2.01 0.00 0.00 34.83 31.25 2p0p s MET 78 CO 0.02 -2.48 1.02 0.71 -0.01 0.00 0.00 175.02 174.28 2p0p s TYR 79 N 5.21 3.06 0.01 -0.03 2.02 -1.26 -1.28 117.35 125.09 2p0p s TYR 79 Ca 0.55 1.58 0.02 0.00 -0.37 0.00 0.00 57.07 58.85 2p0p s TYR 79 Cb 0.03 -3.02 -0.01 0.00 -0.40 0.00 0.00 41.96 38.56 2p0p s TYR 79 CO 0.07 -0.70 -0.06 0.14 -1.57 0.00 0.00 175.55 173.42 2p0p s VAL 80 N -2.06 0.48 0.35 0.71 -7.23 0.21 -1.03 120.40 111.84 2p0p s VAL 80 Ca 0.66 -0.42 -0.26 0.00 -1.81 0.00 0.00 61.98 60.15 2p0p s VAL 80 Cb -0.15 -0.44 -0.09 0.00 0.56 0.00 0.00 36.38 36.26 2p0p s VAL 80 CO 0.20 0.03 1.03 -1.61 -0.31 0.00 0.00 175.10 174.43 2p0p s GLU 81 N -0.44 4.39 -0.14 4.82 2.02 0.06 -0.71 118.70 128.70 2p0p s GLU 81 Ca -0.00 1.51 -0.13 0.00 0.02 0.00 0.00 54.97 56.37 2p0p s GLU 81 Cb -0.04 -2.75 0.04 0.00 0.10 0.00 0.00 34.13 31.48 2p0p s GLU 81 CO -0.00 0.06 0.38 0.54 0.02 0.00 0.00 175.26 176.26 2p0p s VAL 82 N -1.54 -0.00 -0.11 2.63 0.11 -0.31 -0.62 120.40 120.55 2p0p s VAL 82 Ca 0.53 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.56 2p0p s VAL 82 Cb -0.23 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 2p0p s VAL 82 CO 0.29 0.00 -0.03 0.00 -3.33 0.00 0.00 175.10 172.03 2p0p s ALA 83 N 0.24 3.08 -1.36 1.54 0.00 0.27 -0.43 121.76 125.09 2p0p s ALA 83 Ca -0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 2p0p s ALA 83 Cb -0.03 -1.46 0.11 0.00 0.00 0.00 0.00 23.12 21.74 2p0p s ALA 83 CO 0.00 0.41 2.00 -3.47 0.00 0.00 0.00 175.76 174.70 2p0p n ASP 84 N 2.82 4.56 0.00 0.00 2.03 -1.18 -1.27 116.55 123.51 2p0p n ASP 84 Ca -0.18 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.16 2p0p n ASP 84 Cb 0.53 -1.58 0.01 0.00 -0.72 0.00 0.00 41.12 39.36 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 4.34 1.92 0.50 5.18 -5.35 -1.23 -0.42 119.36 124.30 2p0p n ILE 85 Ca 0.45 0.48 0.11 0.00 -0.27 0.00 0.00 62.75 63.53 2p0p n ILE 85 Cb 0.38 -1.47 0.01 0.00 -1.74 0.00 0.00 39.64 36.83 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 -1.22 0.00 3.28 0.00 -0.80 -4.59 105.19 100.43 2p0p n GLY 86 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.35 0.27 0.85 -0.02 0.00 -0.68 -4.95 105.19 102.01 2p0p n GLY 87 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 0.00 1.61 4.76 0.33 -5.04 118.16 119.82 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 -0.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.86 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 -2.04 0.00 -0.60 4.39 2.03 0.43 -4.47 116.55 116.29 2p0p n ASP 89 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2p0p n ASP 89 Cb 0.06 -0.16 0.13 0.00 -0.72 0.00 0.00 41.12 40.43 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 2.68 -4.22 1.67 2.03 -1.26 -4.80 116.55 112.65 2p0p n ASP 90 Ca 0.00 -1.86 -0.12 0.00 0.52 0.00 0.00 54.79 53.33 2p0p n ASP 90 Cb 0.00 -0.17 -0.10 0.00 -0.72 0.00 0.00 41.12 40.13 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 -0.99 1.27 0.05 1.67 2.15 -1.26 -5.12 116.67 114.44 2p0p s ASP 91 Ca 0.21 -1.09 0.04 0.00 0.43 0.00 0.00 52.55 52.14 2p0p s ASP 91 Cb 0.12 0.09 -0.02 0.00 -0.30 0.00 0.00 42.92 42.80 2p0p s ASP 91 CO 0.16 -0.49 -0.11 -0.69 -0.17 0.00 0.00 175.17 173.86 2p0p s VAL 92 N -3.60 0.85 0.02 1.11 1.01 -1.26 -3.13 120.40 115.40 2p0p s VAL 92 Ca 0.18 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2p0p s VAL 92 Cb 0.05 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 2p0p s VAL 92 CO 0.00 -0.21 0.01 -1.22 0.00 0.00 0.00 175.10 173.68 2p0p n TYR 93 N 1.60 -0.03 -4.55 5.22 4.01 0.42 -5.00 117.16 118.83 2p0p n TYR 93 Ca -0.20 -0.13 -0.26 0.00 -0.16 0.00 0.00 57.90 57.15 2p0p n TYR 93 Cb 0.55 0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.99 1.84 0.10 -0.72 2.01 -1.26 -1.16 115.64 114.45 2p0p s THR 94 Ca 0.02 -1.40 0.02 0.00 0.31 0.00 0.00 61.69 60.64 2p0p s THR 94 Cb 0.00 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 2p0p s THR 94 CO 0.01 0.14 -0.07 0.00 -0.69 0.00 0.00 174.62 174.02 2p0p s ALA 95 N -0.93 0.98 -0.07 7.40 0.00 0.11 -4.92 121.76 124.32 2p0p s ALA 95 Ca 0.09 -1.34 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 2p0p s ALA 95 Cb -0.09 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2p0p s ALA 95 CO 0.03 -0.22 0.95 0.15 0.00 0.00 0.00 175.76 176.66 2p0p s LYS 96 N -3.76 4.46 0.47 0.00 1.02 -1.26 -0.62 119.74 120.04 2p0p s LYS 96 Ca 0.11 1.30 0.14 0.00 0.02 0.00 0.00 55.97 57.54 2p0p s LYS 96 Cb 0.05 -3.51 1.10 0.00 -0.52 0.00 0.00 37.83 34.95 2p0p s LYS 96 CO -0.04 -0.19 2.08 1.25 -0.92 0.00 0.00 175.35 177.52 2p0p h LEU 97 N 7.50 0.22 -1.10 3.17 5.85 -1.52 -1.16 115.31 128.28 2p0p h LEU 97 Ca -0.35 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2p0p h LEU 97 Cb 1.18 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2p0p h LEU 97 CO 0.81 0.15 0.33 0.28 -0.34 0.00 0.00 178.44 179.66 2p0p h SER 98 N 0.26 0.00 0.00 1.25 0.02 -1.92 -2.19 113.55 110.97 2p0p h SER 98 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2p0p h SER 98 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2p0p h SER 98 CO -0.02 0.00 -0.04 -0.67 -1.14 0.00 0.00 176.83 174.96 2p0p n ASP 99 N -2.25 1.68 -4.42 3.07 2.03 -0.44 -5.04 116.55 111.19 2p0p n ASP 99 Ca -0.01 -2.20 -0.25 0.00 0.52 0.00 0.00 54.79 52.85 2p0p n ASP 99 Cb 0.35 -0.15 -0.11 0.00 -0.72 0.00 0.00 41.12 40.49 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 2.28 -0.15 5.18 1.01 -0.82 -1.55 121.20 125.78 2p0p s ILE 100 Ca 0.10 -2.12 0.00 0.00 0.00 0.00 0.00 60.65 58.63 2p0p s ILE 100 Cb 0.09 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 40.46 2p0p s ILE 100 CO 0.01 -0.24 -0.13 -0.70 0.00 0.00 0.00 174.94 173.88 2p0p s GLU 101 N -2.95 2.18 0.26 2.79 2.12 -0.22 -4.92 118.70 117.96 2p0p s GLU 101 Ca 0.22 -0.57 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 2p0p s GLU 101 Cb -0.06 -2.10 -0.09 0.00 0.26 0.00 0.00 34.13 32.13 2p0p s GLU 101 CO 0.11 -0.27 0.97 0.00 -0.54 0.00 0.00 175.26 175.53 2p0p s ALA 102 N 1.50 3.33 0.02 6.30 0.00 -1.26 -0.54 121.76 131.11 2p0p s ALA 102 Ca 0.04 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.71 2p0p s ALA 102 Cb -0.13 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2p0p s ALA 102 CO -0.10 0.12 -0.13 0.42 0.00 0.00 0.00 175.76 176.07 2p0p s ILE 103 N -1.23 1.00 -1.47 0.00 1.01 -0.29 -4.88 121.20 115.34 2p0p s ILE 103 Ca 0.43 -0.83 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 2p0p s ILE 103 Cb -0.26 -0.89 0.08 0.00 0.01 0.00 0.00 42.46 41.40 2p0p s ILE 103 CO 0.33 0.06 0.75 -0.67 0.00 0.00 0.00 174.94 175.41 2p0p n ASP 104 N 2.17 -4.38 -4.77 3.58 2.03 -1.26 -3.90 116.55 110.02 2p0p n ASP 104 Ca -0.17 -0.62 -0.23 0.00 0.52 0.00 0.00 54.79 54.29 2p0p n ASP 104 Cb 0.55 -3.55 -0.06 0.00 -0.72 0.00 0.00 41.12 37.34 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 -3.15 2.54 0.64 5.18 0.11 -1.26 -4.83 120.40 119.62 2p0p s VAL 105 Ca 0.55 -1.62 -0.17 0.00 -2.93 0.00 0.00 61.98 57.81 2p0p s VAL 105 Cb -0.28 -2.99 -0.01 0.00 -1.53 0.00 0.00 36.38 31.56 2p0p s VAL 105 CO 0.67 -0.04 1.18 -0.62 -3.33 0.00 0.00 175.10 172.97 2p0p s ASP 106 N -3.94 4.96 0.24 3.54 2.15 -1.26 -4.79 116.67 117.57 2p0p s ASP 106 Ca 0.42 2.29 -0.05 0.00 0.43 0.00 0.00 52.55 55.64 2p0p s ASP 106 Cb 0.01 -2.59 0.37 0.00 -0.30 0.00 0.00 42.92 40.41 2p0p s ASP 106 CO 0.24 -1.74 1.82 -0.78 -0.17 0.00 0.00 175.17 174.53 2p0p h ASP 107 N 0.45 0.69 0.74 -0.34 3.58 -1.99 0.11 116.42 119.65 2p0p h ASP 107 Ca -0.49 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 56.88 2p0p h ASP 107 Cb 1.28 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 2p0p h ASP 107 CO 0.54 0.41 -0.59 -0.78 -2.88 0.00 0.00 179.24 175.94 2p0p h ASP 108 N 0.81 0.00 0.03 2.28 3.58 -1.93 0.36 116.42 121.55 2p0p h ASP 108 Ca 0.38 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.83 2p0p h ASP 108 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2p0p h ASP 108 CO -0.23 0.59 -0.01 0.74 -2.88 0.00 0.00 179.24 177.45 2p0p h THR 109 N 0.00 1.33 -0.56 2.25 2.02 -1.59 -2.01 112.91 114.36 2p0p h THR 109 Ca -0.01 -1.17 0.02 0.00 0.77 0.00 0.00 66.41 66.03 2p0p h THR 109 Cb 1.12 2.11 -0.04 0.00 -1.74 0.00 0.00 68.15 69.60 2p0p h THR 109 CO 0.08 0.30 0.34 -0.61 0.37 0.00 0.00 175.52 175.99 2p0p h GLN 110 N -0.55 0.65 -0.72 6.66 -0.00 -0.78 -1.49 115.11 118.88 2p0p h GLN 110 Ca -0.00 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.55 2p0p h GLN 110 Cb 0.51 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.81 2p0p h GLN 110 CO 0.01 0.43 0.21 0.93 0.00 0.00 0.00 178.83 180.41 2p0p h GLU 111 N 0.67 1.12 -0.64 1.69 4.39 -0.98 0.67 114.58 121.50 2p0p h GLU 111 Ca 0.22 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2p0p h GLU 111 Cb 0.02 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 2p0p h GLU 111 CO -0.10 0.96 0.20 0.00 -1.16 0.00 0.00 179.01 178.92 2p0p h ALA 112 N 1.15 0.84 -0.20 3.43 0.00 -0.77 0.40 119.26 124.11 2p0p h ALA 112 Ca 0.23 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2p0p h ALA 112 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2p0p h ALA 112 CO -0.01 0.51 -0.10 0.82 0.00 0.00 0.00 179.25 180.48 2p0p h ILE 113 N 0.92 1.31 -0.79 0.00 2.04 -0.97 -1.16 117.51 118.85 2p0p h ILE 113 Ca 0.21 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.93 2p0p h ILE 113 Cb 0.30 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2p0p h ILE 113 CO -0.01 0.35 0.51 0.00 0.00 0.00 0.00 178.15 179.01 2p0p h ALA 114 N 0.70 1.03 -0.39 1.87 0.00 -0.74 -1.54 119.26 120.18 2p0p h ALA 114 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2p0p h ALA 114 Cb 0.59 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2p0p h ALA 114 CO 0.03 0.36 -0.21 0.22 0.00 0.00 0.00 179.25 179.65 2p0p h ASP 115 N 1.02 0.77 -0.36 0.00 3.58 -0.76 0.96 116.42 121.64 2p0p h ASP 115 Ca 0.31 -0.27 0.01 0.00 0.42 0.00 0.00 57.03 57.50 2p0p h ASP 115 Cb -0.04 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 2p0p h ASP 115 CO -0.09 0.96 0.22 -0.25 -2.88 0.00 0.00 179.24 177.19 2p0p h TRP 116 N 0.67 0.41 -0.69 0.28 2.91 -0.86 0.22 115.95 118.88 2p0p h TRP 116 Ca 0.10 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.07 2p0p h TRP 116 Cb 0.71 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.20 2p0p h TRP 116 CO 0.04 0.25 0.21 -0.07 -1.03 0.00 0.00 178.44 177.84 2p0p h LEU 117 N 0.44 1.01 -0.52 0.65 3.38 -0.78 -0.42 115.31 119.08 2p0p h LEU 117 Ca 0.14 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2p0p h LEU 117 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2p0p h LEU 117 CO -0.05 0.96 0.19 1.88 0.09 0.00 0.00 178.44 181.50 2p0p h TYR 118 N 1.02 0.81 -0.83 1.13 0.05 -0.60 -2.10 116.97 116.45 2p0p h TYR 118 Ca 0.22 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.94 2p0p h TYR 118 Cb 0.31 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 2p0p h TYR 118 CO 0.02 0.68 0.55 2.35 -1.05 0.00 0.00 178.16 180.72 2p0p h TRP 119 N 0.70 1.05 -0.68 4.88 2.91 -0.61 0.14 115.95 124.35 2p0p h TRP 119 Ca 0.17 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.22 2p0p h TRP 119 Cb 0.23 -0.36 -0.04 0.00 -0.51 0.00 0.00 29.16 28.49 2p0p h TRP 119 CO 0.01 0.67 0.44 1.25 -1.03 0.00 0.00 178.44 179.78 2p0p h LEU 120 N 1.13 0.75 -0.33 0.65 5.85 -0.69 -2.26 115.31 120.41 2p0p h LEU 120 Ca 0.31 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.83 2p0p h LEU 120 Cb -0.12 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 2p0p h LEU 120 CO -0.07 0.54 -0.56 0.00 -0.34 0.00 0.00 178.44 178.01 2p0p h ALA 121 N 1.26 0.50 -0.47 1.25 0.00 -1.07 -2.56 119.26 118.17 2p0p h ALA 121 Ca 0.25 -0.52 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2p0p h ALA 121 Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2p0p h ALA 121 CO -0.07 0.68 0.32 -0.09 0.00 0.00 0.00 179.25 180.10 2p0p h ARG 122 N 0.62 0.26 0.00 0.00 9.65 -0.18 -3.40 114.38 121.34 2p0p h ARG 122 Ca 0.01 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2p0p h ARG 122 Cb 1.16 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2p0p h ARG 122 CO 0.12 0.18 0.00 0.41 2.80 0.00 0.00 179.97 183.48 2p0p n GLY 123 N -1.54 -0.32 3.69 2.80 0.00 -0.90 -4.94 105.19 103.98 2p0p n GLY 123 Ca 0.07 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.86 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 2.33 0.00 1.61 9.36 -0.97 -4.88 117.16 124.62 2p0p n TYR 124 Ca 0.00 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.63 2p0p n TYR 124 Cb 0.00 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.22 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 1.87 2.30 0.00 2.98 5.02 -1.26 -5.10 118.16 123.97 2p0p n LYS 125 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2p0p n LYS 125 Cb 0.33 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 2p0p n LYS 125 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85