#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 1.19 0.00 -5.12 0.00 -1.92 -3.33 119.26 110.08 2p0p h ALA 2 Ca 0.00 -0.24 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 2p0p h ALA 2 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2p0p h ALA 2 CO 0.00 0.33 1.50 -1.13 0.00 0.00 0.00 179.25 179.95 2p0p n SER 3 N -3.68 5.26 0.27 0.00 3.41 -1.26 -4.18 113.62 113.44 2p0p n SER 3 Ca -0.01 -2.33 0.14 0.00 -0.26 0.00 0.00 58.87 56.41 2p0p n SER 3 Cb 0.38 -1.18 0.78 0.00 -0.26 0.00 0.00 64.21 63.93 2p0p n SER 3 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2p0p h VAL 4 N 2.75 0.43 -4.15 -3.33 -1.51 -1.90 -3.45 116.25 105.09 2p0p h VAL 4 Ca 0.40 -0.47 -0.52 0.00 -1.23 0.00 0.00 66.70 64.88 2p0p h VAL 4 Cb 0.67 1.33 0.11 0.00 -2.13 0.00 0.00 31.29 31.28 2p0p h VAL 4 CO 0.95 0.09 0.41 -1.83 -1.23 0.00 0.00 177.57 175.96 2p0p s GLU 5 N -4.12 2.76 0.33 5.19 1.03 -1.26 -4.96 118.70 117.66 2p0p s GLU 5 Ca -0.03 1.63 0.10 0.00 0.03 0.00 0.00 54.97 56.70 2p0p s GLU 5 Cb 0.13 -1.92 0.56 0.00 -0.80 0.00 0.00 34.13 32.09 2p0p s GLU 5 CO 0.56 -1.33 1.74 0.07 -1.33 0.00 0.00 175.26 174.97 2p0p h ARG 6 N 0.34 0.09 -1.98 -4.83 0.11 -2.03 -3.46 114.38 102.63 2p0p h ARG 6 Ca -0.48 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 59.51 2p0p h ARG 6 Cb 1.27 -0.00 -0.20 0.00 1.11 0.00 0.00 29.97 32.15 2p0p h ARG 6 CO 0.54 0.50 0.18 0.34 0.10 0.00 0.00 179.97 181.63 2p0p s ASP 7 N -6.90 -0.69 0.20 0.08 -1.08 -1.26 -5.05 116.67 101.97 2p0p s ASP 7 Ca -0.03 1.09 0.14 0.00 -0.52 0.00 0.00 52.55 53.22 2p0p s ASP 7 Cb 0.14 1.01 0.75 0.00 -1.46 0.00 0.00 42.92 43.36 2p0p s ASP 7 CO 0.75 -0.41 1.43 -1.84 0.52 0.00 0.00 175.17 175.62 2p0p n GLU 8 N 1.84 0.09 -0.27 4.34 0.00 -1.26 -2.13 120.64 123.25 2p0p n GLU 8 Ca -0.16 0.57 0.25 0.00 0.00 0.00 0.00 57.16 57.81 2p0p n GLU 8 Cb 0.56 -1.78 0.58 0.00 0.00 0.00 0.00 31.44 30.80 2p0p n GLU 8 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2p0p h THR 9 N 0.00 0.56 -0.21 3.84 2.02 -1.98 -0.60 112.91 116.54 2p0p h THR 9 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2p0p h THR 9 Cb 0.03 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2p0p h THR 9 CO 0.00 0.05 0.13 0.03 0.37 0.00 0.00 175.52 176.10 2p0p h ARG 10 N 0.27 0.27 -0.22 6.66 2.47 -1.86 0.52 114.38 122.48 2p0p h ARG 10 Ca 0.52 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 59.12 2p0p h ARG 10 Cb 1.55 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.81 2p0p h ARG 10 CO -0.16 0.19 -0.27 0.93 0.56 0.00 0.00 179.97 181.22 2p0p h GLU 11 N 0.27 0.57 -0.05 0.04 4.39 -1.40 -1.03 114.58 117.38 2p0p h GLU 11 Ca 0.08 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.47 2p0p h GLU 11 Cb -0.02 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2p0p h GLU 11 CO -0.02 0.92 -0.04 1.25 -1.16 0.00 0.00 179.01 179.97 2p0p h HIS 12 N 0.26 -0.09 0.05 4.33 -0.00 -1.12 -2.28 115.15 116.30 2p0p h HIS 12 Ca 0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2p0p h HIS 12 Cb 0.84 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 2p0p h HIS 12 CO 0.08 -0.06 -0.02 0.00 -0.00 0.00 0.00 177.93 177.93 2p0p h ARG 13 N -0.04 -0.06 -0.87 5.26 3.08 -0.86 -2.18 114.38 118.71 2p0p h ARG 13 Ca 0.03 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.13 2p0p h ARG 13 Cb 0.09 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 2p0p h ARG 13 CO -0.07 0.18 0.55 0.97 -1.07 0.00 0.00 179.97 180.52 2p0p h ILE 14 N -0.30 1.11 -0.78 2.04 2.10 -1.12 0.73 117.51 121.29 2p0p h ILE 14 Ca -0.01 -0.36 -0.02 0.00 1.08 0.00 0.00 64.86 65.55 2p0p h ILE 14 Cb 0.27 -0.03 -0.04 0.00 -1.09 0.00 0.00 36.82 35.93 2p0p h ILE 14 CO 0.01 0.19 0.40 -0.08 -1.08 0.00 0.00 178.15 177.59 2p0p h GLU 15 N 1.05 1.10 -0.13 2.19 4.57 -1.36 -1.55 114.58 120.45 2p0p h GLU 15 Ca 0.36 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2p0p h GLU 15 Cb 0.07 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2p0p h GLU 15 CO -0.14 0.83 0.00 0.25 -1.18 0.00 0.00 179.01 178.78 2p0p n THR 16 N -4.40 0.14 0.00 0.32 -2.24 -0.33 -2.58 114.28 105.18 2p0p n THR 16 Ca 0.07 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2p0p n THR 16 Cb 0.11 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 2p0p n THR 16 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2p0p n GLU 17 N 1.27 1.31 -0.04 -0.78 0.28 0.10 -4.82 120.64 117.96 2p0p n GLU 17 Ca 0.16 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.08 2p0p n GLU 17 Cb 0.58 -0.11 -0.04 0.00 1.43 0.00 0.00 31.44 33.30 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2p0p n ILE 18 N -0.16 0.49 -0.75 3.84 2.08 -0.59 -4.85 119.36 119.42 2p0p n ILE 18 Ca 0.00 -0.15 0.06 0.00 0.56 0.00 0.00 62.75 63.22 2p0p n ILE 18 Cb 0.00 -1.27 0.09 0.00 -0.75 0.00 0.00 39.64 37.70 2p0p n ILE 18 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 2p0p n ILE 19 N -3.12 1.48 -0.18 1.39 -5.35 -1.16 -4.72 119.36 107.70 2p0p n ILE 19 Ca -0.17 -1.71 0.11 0.00 -0.27 0.00 0.00 62.75 60.72 2p0p n ILE 19 Cb 0.64 0.06 0.43 0.00 -1.74 0.00 0.00 39.64 39.03 2p0p n ILE 19 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2p0p h VAL 20 N 0.34 0.89 -0.09 7.28 2.07 -1.76 -2.14 116.25 122.84 2p0p h VAL 20 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2p0p h VAL 20 Cb 0.85 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2p0p h VAL 20 CO 0.00 0.11 0.00 -0.67 0.02 0.00 0.00 177.57 177.03 2p0p n ASP 21 N -4.50 1.51 -4.17 0.57 2.03 -1.26 -4.89 116.55 105.84 2p0p n ASP 21 Ca 0.13 -1.59 -0.25 0.00 0.52 0.00 0.00 54.79 53.61 2p0p n ASP 21 Cb 0.40 -0.05 -0.15 0.00 -0.72 0.00 0.00 41.12 40.59 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 -1.89 1.45 0.00 -1.67 0.00 -0.81 -5.03 121.76 113.81 2p0p s ALA 22 Ca 0.35 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2p0p s ALA 22 Cb 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2p0p s ALA 22 CO 0.30 0.35 0.25 0.39 0.00 0.00 0.00 175.76 177.05 2p0p n GLU 23 N 2.55 -0.08 -4.38 0.00 -0.58 -1.26 -4.87 120.64 112.01 2p0p n GLU 23 Ca -0.15 -0.28 -0.21 0.00 -0.42 0.00 0.00 57.16 56.10 2p0p n GLU 23 Cb 0.54 -0.66 -0.13 0.00 -0.57 0.00 0.00 31.44 30.62 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 -0.06 1.72 0.44 1.62 -1.08 -1.26 -5.04 116.67 113.01 2p0p s ASP 24 Ca 0.00 -0.46 0.19 0.00 -0.52 0.00 0.00 52.55 51.77 2p0p s ASP 24 Cb 0.00 -0.12 1.14 0.00 -1.46 0.00 0.00 42.92 42.48 2p0p s ASP 24 CO 0.00 0.05 1.87 0.07 0.52 0.00 0.00 175.17 177.68 2p0p h LYS 25 N 4.95 0.33 -0.17 4.34 -0.00 -1.97 0.28 116.57 124.33 2p0p h LYS 25 Ca -0.38 -0.02 -0.12 0.00 -0.00 0.00 0.00 60.65 60.13 2p0p h LYS 25 Cb 1.18 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 2p0p h LYS 25 CO 0.44 0.22 -0.36 0.93 -0.00 0.00 0.00 179.45 180.68 2p0p h GLU 26 N 0.34 0.55 -0.50 0.07 5.08 -1.95 -0.59 114.58 117.59 2p0p h GLU 26 Ca 0.45 -0.36 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 2p0p h GLU 26 Cb 1.20 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2p0p h GLU 26 CO -0.15 0.97 -0.08 0.93 -1.00 0.00 0.00 179.01 179.68 2p0p h GLU 27 N 0.20 0.91 -0.06 2.33 4.39 -1.59 -1.29 114.58 119.47 2p0p h GLU 27 Ca 0.01 -0.30 -0.13 0.00 0.34 0.00 0.00 59.36 59.27 2p0p h GLU 27 Cb 0.95 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2p0p h GLU 27 CO 0.08 0.95 -0.54 0.00 -1.16 0.00 0.00 179.01 178.34 2p0p h ARG 28 N 0.82 0.18 -0.78 2.33 3.08 -0.97 -0.22 114.38 118.83 2p0p h ARG 28 Ca 0.14 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2p0p h ARG 28 Cb 0.60 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 2p0p h ARG 28 CO 0.04 0.68 0.30 0.00 -1.07 0.00 0.00 179.97 179.92 2p0p h ALA 29 N 1.30 1.01 -0.48 0.04 0.00 -0.69 -1.38 119.26 119.07 2p0p h ALA 29 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2p0p h ALA 29 Cb 1.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2p0p h ALA 29 CO 0.08 0.65 0.06 0.52 0.00 0.00 0.00 179.25 180.56 2p0p h MET 30 N 1.14 0.81 -0.23 0.00 2.86 -0.76 -0.09 114.93 118.64 2p0p h MET 30 Ca 0.26 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2p0p h MET 30 Cb 0.23 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 2p0p h MET 30 CO -0.02 0.82 -0.10 0.78 1.06 0.00 0.00 176.91 179.45 2p0p h GLY 31 N 0.67 0.10 0.39 8.32 0.00 -0.80 0.65 103.07 112.41 2p0p h GLY 31 Ca 0.14 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.61 2p0p h GLY 31 CO 0.01 -0.13 -0.39 1.49 0.00 0.00 0.00 176.54 177.52 2p0p h TRP 32 N -0.07 -1.09 -0.56 5.60 4.06 -1.15 -2.85 115.95 119.90 2p0p h TRP 32 Ca 0.12 0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.19 2p0p h TRP 32 Cb 0.25 0.45 -0.07 0.00 -1.00 0.00 0.00 29.16 28.79 2p0p h TRP 32 CO -0.28 -0.51 0.15 -0.92 -3.56 0.00 0.00 178.44 173.32 2p0p h TYR 33 N -0.68 0.24 0.41 0.49 3.20 -0.42 -0.59 116.97 119.62 2p0p h TYR 33 Ca 0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2p0p h TYR 33 Cb 0.67 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.92 2p0p h TYR 33 CO -0.31 0.02 -0.20 1.88 -1.64 0.00 0.00 178.16 177.91 2p0p h TYR 34 N 0.29 -0.51 -0.17 -3.82 0.05 -0.76 -0.82 116.97 111.23 2p0p h TYR 34 Ca 0.28 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.89 2p0p h TYR 34 Cb 0.38 0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 2p0p h TYR 34 CO -0.21 -0.29 -0.58 0.10 -1.05 0.00 0.00 178.16 176.13 2p0p h TYR 35 N -0.61 0.68 0.30 4.88 -0.00 -1.32 -2.29 116.97 118.61 2p0p h TYR 35 Ca -0.06 -0.25 -0.01 0.00 -0.00 0.00 0.00 58.73 58.41 2p0p h TYR 35 Cb 0.45 -0.13 0.00 0.00 -0.00 0.00 0.00 36.73 37.06 2p0p h TYR 35 CO -0.03 0.99 -0.14 1.25 -0.00 0.00 0.00 178.16 180.22 2p0p h LEU 36 N 0.41 -0.34 -1.03 0.10 6.46 -0.99 -0.99 115.31 118.93 2p0p h LEU 36 Ca 0.00 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 2p0p h LEU 36 Cb 1.13 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 41.11 2p0p h LEU 36 CO 0.11 -0.02 0.41 -0.78 -0.62 0.00 0.00 178.44 177.54 2p0p h ASP 37 N -0.68 0.98 0.22 1.25 3.58 -1.20 0.22 116.42 120.78 2p0p h ASP 37 Ca -0.04 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 2p0p h ASP 37 Cb 0.47 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2p0p h ASP 37 CO 0.07 0.80 -0.10 -0.78 -2.88 0.00 0.00 179.24 176.34 2p0p h ASP 38 N 1.09 0.00 0.62 2.28 3.58 -1.32 -2.86 116.42 119.81 2p0p h ASP 38 Ca 0.27 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.45 2p0p h ASP 38 Cb 0.05 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 2p0p h ASP 38 CO -0.04 0.10 -1.53 0.74 -2.88 0.00 0.00 179.24 175.64 2p0p h THR 39 N 0.00 1.07 -2.40 2.25 2.02 0.38 -3.46 112.91 112.77 2p0p h THR 39 Ca -0.00 -2.89 -0.54 0.00 0.77 0.00 0.00 66.41 63.75 2p0p h THR 39 Cb 0.24 2.53 0.03 0.00 -1.74 0.00 0.00 68.15 69.22 2p0p h THR 39 CO 0.01 0.61 1.12 0.18 0.37 0.00 0.00 175.52 177.82 2p0p n LEU 40 N -3.13 3.96 -1.97 2.58 4.77 -0.18 -4.33 117.00 118.70 2p0p n LEU 40 Ca -0.13 0.97 -0.12 0.00 -0.03 0.00 0.00 56.01 56.71 2p0p n LEU 40 Cb 1.02 -1.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.45 2p0p n LEU 40 CO 0.45 0.14 1.55 -0.62 -1.33 0.00 0.00 177.39 177.58 2p0p n GLU 41 N 6.08 1.91 -1.53 3.23 -0.58 -1.26 -4.96 120.64 123.54 2p0p n GLU 41 Ca 0.19 -0.97 -0.34 0.00 -0.42 0.00 0.00 57.16 55.62 2p0p n GLU 41 Cb 0.37 -1.90 0.08 0.00 -0.57 0.00 0.00 31.44 29.42 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 0.72 2.21 0.63 -0.32 -0.12 -1.26 -4.38 117.98 115.46 2p0p s PHE 42 Ca 0.59 1.59 -0.16 0.00 -0.05 0.00 0.00 56.93 58.90 2p0p s PHE 42 Cb 0.29 -3.39 -0.02 0.00 -0.63 0.00 0.00 43.02 39.28 2p0p s PHE 42 CO -0.01 -2.34 1.10 -1.25 -0.05 0.00 0.00 175.22 172.67 2p0p s PRO 43 N -3.96 2.99 0.00 1.99 0.04 -1.26 -5.04 135.00 129.76 2p0p s PRO 43 Ca 0.72 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2p0p s PRO 43 Cb -0.27 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2p0p s PRO 43 CO 0.44 -1.10 0.00 1.97 0.04 0.00 0.00 177.00 178.35 2p0p n PHE 44 N -2.16 -0.19 -4.31 0.56 -1.74 -0.57 -4.99 117.46 104.05 2p0p n PHE 44 Ca 0.10 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.83 2p0p n PHE 44 Cb 0.52 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.42 2p0p n PHE 44 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2p0p s MET 45 N -1.37 1.32 0.25 3.97 0.23 -1.25 -0.25 119.30 122.20 2p0p s MET 45 Ca 0.00 -1.69 -0.16 0.00 -1.03 0.00 0.00 55.69 52.82 2p0p s MET 45 Cb 0.00 -0.38 0.06 0.00 -1.53 0.00 0.00 34.83 32.97 2p0p s MET 45 CO 0.00 -0.20 0.78 0.41 -2.03 0.00 0.00 175.02 173.99 2p0p n GLY 46 N -0.41 0.91 3.21 3.16 0.00 -0.09 -1.24 105.19 110.73 2p0p n GLY 46 Ca -0.03 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.06 3.16 -0.50 1.61 2.47 0.24 -1.00 119.74 123.66 2p0p s LYS 47 Ca 0.17 -0.75 -0.28 0.00 -1.56 0.00 0.00 55.97 53.54 2p0p s LYS 47 Cb -0.03 -2.70 0.02 0.00 -1.46 0.00 0.00 37.83 33.66 2p0p s LYS 47 CO 0.07 -0.14 1.30 -0.46 0.16 0.00 0.00 175.35 176.29 2p0p s TRP 48 N 1.19 2.51 -0.15 4.03 -0.11 0.39 -0.98 118.94 125.82 2p0p s TRP 48 Ca 0.02 0.58 -0.05 0.00 1.22 0.00 0.00 56.10 57.87 2p0p s TRP 48 Cb -0.14 -4.41 -0.14 0.00 -1.50 0.00 0.00 33.47 27.28 2p0p s TRP 48 CO -0.06 -1.73 3.23 1.63 -4.62 0.00 0.00 176.95 175.40 2p0p n LYS 49 N 8.26 2.06 -1.66 5.86 4.76 -0.39 -1.50 118.16 135.55 2p0p n LYS 49 Ca 0.13 -1.38 -0.46 0.00 -2.87 0.00 0.00 58.31 53.73 2p0p n LYS 49 Cb 0.49 -1.98 -0.04 0.00 -1.84 0.00 0.00 35.03 31.66 2p0p n LYS 49 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2p0p n LYS 50 N 1.88 2.33 -1.94 1.97 4.81 -0.08 -4.68 118.16 122.45 2p0p n LYS 50 Ca 0.42 0.84 -0.41 0.00 -0.87 0.00 0.00 58.31 58.29 2p0p n LYS 50 Cb 0.77 -2.77 -0.02 0.00 0.02 0.00 0.00 35.03 33.03 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 4.39 4.22 0.97 1.64 3.01 -1.26 -0.40 119.74 132.31 2p0p s LYS 51 Ca 0.93 2.39 -0.11 0.00 -1.01 0.00 0.00 55.97 58.16 2p0p s LYS 51 Cb -0.61 -3.09 0.17 0.00 -1.01 0.00 0.00 37.83 33.30 2p0p s LYS 51 CO 0.48 -0.49 1.10 -1.12 0.51 0.00 0.00 175.35 175.83 2p0p s SER 52 N 0.44 2.62 -0.57 2.83 0.01 0.11 -4.81 113.70 114.32 2p0p s SER 52 Ca 0.61 1.87 -0.29 0.00 1.31 0.00 0.00 55.95 59.46 2p0p s SER 52 Cb -0.44 -2.44 -0.11 0.00 0.21 0.00 0.00 66.02 63.25 2p0p s SER 52 CO 0.44 -3.24 2.44 0.54 0.41 0.00 0.00 173.24 173.83 2p0p n ARG 53 N -4.30 0.87 -3.98 12.44 3.00 -1.26 -1.67 116.66 121.76 2p0p n ARG 53 Ca 0.08 0.07 -0.32 0.00 -0.01 0.00 0.00 57.85 57.68 2p0p n ARG 53 Cb 0.53 -2.85 -0.04 0.00 0.00 0.00 0.00 32.46 30.10 2p0p n ARG 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2p0p n LYS 54 N 8.76 -2.15 -3.98 5.56 5.02 -1.26 -4.94 118.16 125.18 2p0p n LYS 54 Ca 0.44 0.24 -0.10 0.00 -2.02 0.00 0.00 58.31 56.88 2p0p n LYS 54 Cb 0.38 -4.88 -0.11 0.00 -0.02 0.00 0.00 35.03 30.40 2p0p n LYS 54 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2p0p s THR 55 N -3.03 0.13 -0.23 -0.18 -4.23 -0.67 -5.05 115.64 102.37 2p0p s THR 55 Ca 0.63 -0.85 0.28 0.00 -1.18 0.00 0.00 61.69 60.57 2p0p s THR 55 Cb -0.35 -0.26 0.31 0.00 1.34 0.00 0.00 72.50 73.54 2p0p s THR 55 CO 0.77 -0.45 1.83 0.28 -0.54 0.00 0.00 174.62 176.51 2p0p h SER 56 N 4.76 0.00 -3.71 3.99 0.02 -1.92 -3.22 113.55 113.47 2p0p h SER 56 Ca -0.32 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.14 2p0p h SER 56 Cb 1.21 0.00 0.21 0.00 0.14 0.00 0.00 62.40 63.96 2p0p h SER 56 CO 0.42 0.00 -0.03 0.41 -1.14 0.00 0.00 176.83 176.49 2p0p n THR 57 N -2.62 0.00 -4.53 -2.27 -1.04 -1.26 -4.82 114.28 97.74 2p0p n THR 57 Ca 0.02 -0.19 -0.21 0.00 -2.04 0.00 0.00 64.05 61.63 2p0p n THR 57 Cb 0.27 -0.93 -0.15 0.00 -1.82 0.00 0.00 70.33 67.70 2p0p n THR 57 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2p0p s ILE 58 N -2.51 1.05 -0.01 12.58 1.01 -1.26 -0.72 121.20 131.34 2p0p s ILE 58 Ca 0.66 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2p0p s ILE 58 Cb -0.23 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2p0p s ILE 58 CO 0.62 0.22 0.03 -1.61 0.00 0.00 0.00 174.94 174.20 2p0p s GLU 59 N -0.51 2.90 -0.44 2.79 0.41 0.46 -4.87 118.70 119.44 2p0p s GLU 59 Ca 0.04 -0.55 0.03 0.00 -0.41 0.00 0.00 54.97 54.08 2p0p s GLU 59 Cb -0.06 -2.75 0.12 0.00 -1.78 0.00 0.00 34.13 29.67 2p0p s GLU 59 CO -0.00 0.64 0.20 -1.21 -0.49 0.00 0.00 175.26 174.40 2p0p s GLU 60 N -1.54 1.53 -0.27 1.61 2.02 -1.26 -0.90 118.70 119.90 2p0p s GLU 60 Ca 0.20 -2.13 -0.14 0.00 0.02 0.00 0.00 54.97 52.91 2p0p s GLU 60 Cb -0.12 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 2p0p s GLU 60 CO 0.10 -1.08 0.34 0.21 0.02 0.00 0.00 175.26 174.85 2p0p s LYS 61 N 0.32 3.99 0.15 1.61 2.20 -0.56 -4.91 119.74 122.53 2p0p s LYS 61 Ca 0.15 -0.04 -0.31 0.00 -0.36 0.00 0.00 55.97 55.42 2p0p s LYS 61 Cb -0.23 -3.66 -0.08 0.00 -1.51 0.00 0.00 37.83 32.34 2p0p s LYS 61 CO -0.04 -0.27 1.31 0.99 -0.36 0.00 0.00 175.35 176.98 2p0p s THR 62 N 2.02 3.39 0.02 3.43 2.01 -1.26 -0.46 115.64 124.78 2p0p s THR 62 Ca 0.14 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.21 2p0p s THR 62 Cb -0.16 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 2p0p s THR 62 CO 0.10 0.12 -0.03 0.68 -0.69 0.00 0.00 174.62 174.81 2p0p s VAL 63 N 0.57 0.16 -0.14 3.82 -7.23 -0.17 -1.31 120.40 116.10 2p0p s VAL 63 Ca 0.59 -0.63 -0.13 0.00 -1.81 0.00 0.00 61.98 60.00 2p0p s VAL 63 Cb -0.35 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.30 2p0p s VAL 63 CO 0.34 -0.30 0.28 -0.70 -0.31 0.00 0.00 175.10 174.41 2p0p s GLU 64 N -0.97 4.12 -0.33 4.82 2.12 -0.47 -0.92 118.70 127.08 2p0p s GLU 64 Ca -0.09 0.10 -0.08 0.00 0.36 0.00 0.00 54.97 55.25 2p0p s GLU 64 Cb -0.07 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 30.96 2p0p s GLU 64 CO -0.00 0.36 0.13 0.08 -0.54 0.00 0.00 175.26 175.28 2p0p s VAL 65 N 0.11 4.23 0.13 3.70 1.01 0.65 -0.69 120.40 129.54 2p0p s VAL 65 Ca 0.17 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.47 2p0p s VAL 65 Cb -0.13 -3.26 -0.20 0.00 0.00 0.00 0.00 36.38 32.78 2p0p s VAL 65 CO 0.05 -0.05 1.29 -0.07 0.00 0.00 0.00 175.10 176.32 2p0p h LEU 66 N 8.31 0.02 0.00 3.92 4.07 -1.30 -1.52 115.31 128.80 2p0p h LEU 66 Ca -0.29 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2p0p h LEU 66 Cb 1.12 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.85 2p0p h LEU 66 CO 0.62 0.99 0.00 0.61 -1.08 0.00 0.00 178.44 179.59 2p0p n GLY 67 N 1.30 1.34 3.75 0.83 0.00 -1.25 -4.32 105.19 106.84 2p0p n GLY 67 Ca -0.00 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.85 2.75 1.14 1.61 -1.94 -1.26 -0.96 119.30 118.78 2p0p s MET 68 Ca 0.00 1.73 -0.18 0.00 -1.71 0.00 0.00 55.69 55.54 2p0p s MET 68 Cb 0.00 -1.91 0.26 0.00 2.01 0.00 0.00 34.83 35.19 2p0p s MET 68 CO 0.00 -1.36 1.12 0.00 -0.01 0.00 0.00 175.02 174.77 2p0p s ALA 69 N -1.82 0.78 0.49 3.03 0.00 -0.30 -4.45 121.76 119.50 2p0p s ALA 69 Ca 0.75 -0.84 -0.20 0.00 0.00 0.00 0.00 51.96 51.67 2p0p s ALA 69 Cb -0.28 -2.93 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 2p0p s ALA 69 CO 0.37 -3.35 0.48 -2.30 0.00 0.00 0.00 175.76 170.95 2p0p n PRO 70 N -4.57 0.51 -0.35 0.00 -0.02 -1.26 -4.71 135.00 124.59 2p0p n PRO 70 Ca 0.11 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.86 2p0p n PRO 70 Cb 0.59 -1.54 0.24 0.00 -0.02 0.00 0.00 33.50 32.77 2p0p n PRO 70 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2p0p h ASP 71 N 0.52 0.86 0.52 2.55 5.19 -1.95 -0.82 116.42 123.28 2p0p h ASP 71 Ca -0.43 0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 55.97 2p0p h ASP 71 Cb 1.40 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.79 2p0p h ASP 71 CO 0.49 0.43 -0.35 -0.78 -3.12 0.00 0.00 179.24 175.91 2p0p h ASP 72 N 0.92 0.00 -0.01 6.45 3.58 -1.99 -1.74 116.42 123.62 2p0p h ASP 72 Ca 0.50 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.83 2p0p h ASP 72 Cb 0.55 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.61 2p0p h ASP 72 CO -0.29 0.35 -0.47 -0.33 -2.88 0.00 0.00 179.24 175.62 2p0p h GLU 73 N 0.00 0.33 0.00 0.28 4.39 -1.54 -3.29 114.58 114.75 2p0p h GLU 73 Ca -0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2p0p h GLU 73 Cb 0.71 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2p0p h GLU 73 CO 0.05 1.03 0.00 0.00 -1.16 0.00 0.00 179.01 178.93 2p0p n LEU 75 N -0.68 0.19 0.00 0.00 7.94 -0.71 -4.29 117.00 119.45 2p0p n LEU 75 Ca 0.05 0.26 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 2p0p n LEU 75 Cb 0.02 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 43.63 2p0p n LEU 75 CO 0.04 0.04 -0.06 2.29 -1.11 0.00 0.00 177.39 178.59 2p0p n LYS 76 N -1.32 0.44 -3.50 1.96 2.85 -1.23 -4.56 118.16 112.81 2p0p n LYS 76 Ca 0.10 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.24 2p0p n LYS 76 Cb 0.30 -0.56 -0.03 0.00 -0.65 0.00 0.00 35.03 34.09 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 -1.35 -0.45 -0.07 -5.58 2.15 -1.26 -4.95 116.67 105.16 2p0p s ASP 77 Ca 0.00 -0.07 -0.24 0.00 0.43 0.00 0.00 52.55 52.67 2p0p s ASP 77 Cb 0.00 0.55 -0.03 0.00 -0.30 0.00 0.00 42.92 43.13 2p0p s ASP 77 CO 0.00 -0.90 0.73 -0.04 -0.17 0.00 0.00 175.17 174.79 2p0p s MET 78 N -3.59 4.43 0.12 4.34 -1.94 -1.26 -4.07 119.30 117.32 2p0p s MET 78 Ca 0.01 0.92 0.04 0.00 -1.71 0.00 0.00 55.69 54.95 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 -0.11 0.02 -0.10 0.71 -0.01 0.00 0.00 175.02 175.53 2p0p s TYR 79 N 0.93 1.15 0.02 -0.03 2.02 -1.26 -0.85 117.35 119.32 2p0p s TYR 79 Ca 0.38 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 2p0p s TYR 79 Cb -0.18 -0.61 -0.01 0.00 -0.40 0.00 0.00 41.96 40.76 2p0p s TYR 79 CO 0.18 0.03 -0.04 0.14 -1.57 0.00 0.00 175.55 174.30 2p0p s VAL 80 N -2.77 0.23 0.28 0.71 -7.23 0.15 -1.15 120.40 110.62 2p0p s VAL 80 Ca 0.10 -0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 59.38 2p0p s VAL 80 Cb -0.01 -0.29 -0.09 0.00 0.56 0.00 0.00 36.38 36.55 2p0p s VAL 80 CO 0.00 -0.24 1.06 -1.61 -0.31 0.00 0.00 175.10 174.00 2p0p s GLU 81 N -0.88 4.64 -0.03 4.82 2.02 -0.14 -0.69 118.70 128.43 2p0p s GLU 81 Ca -0.07 1.70 -0.06 0.00 0.02 0.00 0.00 54.97 56.55 2p0p s GLU 81 Cb -0.06 -3.13 0.01 0.00 0.10 0.00 0.00 34.13 31.05 2p0p s GLU 81 CO -0.00 0.24 0.14 0.08 0.02 0.00 0.00 175.26 175.74 2p0p s VAL 82 N -1.23 0.04 -0.06 2.63 1.01 -0.13 -0.93 120.40 121.73 2p0p s VAL 82 Ca 0.45 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.16 2p0p s VAL 82 Cb -0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 2p0p s VAL 82 CO 0.37 -0.16 -0.13 0.00 0.00 0.00 0.00 175.10 175.18 2p0p s ALA 83 N -0.53 2.69 -1.48 5.51 0.00 0.14 -0.26 121.76 127.82 2p0p s ALA 83 Ca -0.06 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 2p0p s ALA 83 Cb -0.04 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.07 2p0p s ALA 83 CO 0.01 0.52 2.61 -3.47 0.00 0.00 0.00 175.76 175.42 2p0p n ASP 84 N 2.46 7.71 0.25 0.00 -0.08 -1.07 -1.37 116.55 124.46 2p0p n ASP 84 Ca -0.17 -2.83 0.16 0.00 -1.51 0.00 0.00 54.79 50.43 2p0p n ASP 84 Cb 0.52 -1.50 0.83 0.00 2.34 0.00 0.00 41.12 43.31 2p0p n ASP 84 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2p0p h ILE 85 N 3.04 0.00 0.00 5.18 3.07 -1.80 0.26 117.51 127.26 2p0p h ILE 85 Ca 0.75 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.16 2p0p h ILE 85 Cb 0.35 0.67 0.00 0.00 -0.27 0.00 0.00 36.82 37.58 2p0p h ILE 85 CO 1.69 0.00 -0.25 0.61 -1.05 0.00 0.00 178.15 179.15 2p0p n GLY 86 N -1.20 -1.44 0.92 0.16 0.00 -0.43 -4.63 105.19 98.57 2p0p n GLY 86 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.45 -0.02 2.74 -0.02 0.00 -0.27 -4.88 105.19 104.20 2p0p n GLY 87 Ca 0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 2p0p n GLY 87 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2p0p n LYS 88 N -1.96 0.64 -0.28 1.61 2.85 0.76 -5.02 118.16 116.75 2p0p n LYS 88 Ca 0.00 -1.71 0.32 0.00 -1.05 0.00 0.00 58.31 55.87 2p0p n LYS 88 Cb 0.00 -1.32 0.71 0.00 -0.65 0.00 0.00 35.03 33.77 2p0p n LYS 88 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2p0p h ASP 89 N 4.21 0.06 0.60 -5.58 3.58 -1.63 -1.24 116.42 116.43 2p0p h ASP 89 Ca -0.09 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2p0p h ASP 89 Cb 1.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2p0p h ASP 89 CO 0.19 0.01 0.00 -0.78 -2.88 0.00 0.00 179.24 175.78 2p0p h ASP 90 N 0.06 0.00 -2.88 2.28 3.58 -1.96 -3.42 116.42 114.08 2p0p h ASP 90 Ca 0.53 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 57.36 2p0p h ASP 90 Cb 2.01 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.90 2p0p h ASP 90 CO -0.05 0.00 -0.80 -0.62 -2.88 0.00 0.00 179.24 174.90 2p0p s ASP 91 N -4.32 3.41 0.02 2.28 -1.08 -0.47 -5.08 116.67 111.44 2p0p s ASP 91 Ca 0.03 -0.93 0.02 0.00 -0.52 0.00 0.00 52.55 51.15 2p0p s ASP 91 Cb 0.09 -0.26 -0.01 0.00 -1.46 0.00 0.00 42.92 41.27 2p0p s ASP 91 CO 0.36 0.08 -0.07 -0.69 0.52 0.00 0.00 175.17 175.36 2p0p s VAL 92 N -2.02 0.56 0.03 1.11 1.01 -1.26 -2.60 120.40 117.24 2p0p s VAL 92 Ca 0.24 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2p0p s VAL 92 Cb -0.07 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 2p0p s VAL 92 CO 0.11 -0.09 0.03 -1.22 0.00 0.00 0.00 175.10 173.93 2p0p n TYR 93 N 2.22 -0.18 -4.80 5.22 4.01 0.64 -4.98 117.16 119.30 2p0p n TYR 93 Ca -0.17 -0.27 -0.30 0.00 -0.16 0.00 0.00 57.90 56.99 2p0p n TYR 93 Cb 0.56 0.03 -0.14 0.00 -0.31 0.00 0.00 39.34 39.49 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 -2.21 2.38 0.08 -0.72 2.01 -1.26 -0.95 115.64 114.97 2p0p s THR 94 Ca 0.04 -1.33 0.04 0.00 0.31 0.00 0.00 61.69 60.75 2p0p s THR 94 Cb 0.00 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 2p0p s THR 94 CO 0.03 0.35 -0.11 0.00 -0.69 0.00 0.00 174.62 174.19 2p0p s ALA 95 N -0.86 1.09 -0.02 7.40 0.00 0.13 -4.91 121.76 124.58 2p0p s ALA 95 Ca 0.13 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 2p0p s ALA 95 Cb -0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 2p0p s ALA 95 CO 0.03 0.05 1.33 0.15 0.00 0.00 0.00 175.76 177.32 2p0p s LYS 96 N -2.25 4.30 0.34 0.00 1.02 -1.26 -0.68 119.74 121.21 2p0p s LYS 96 Ca 0.01 1.86 0.03 0.00 0.02 0.00 0.00 55.97 57.89 2p0p s LYS 96 Cb -0.06 -3.58 0.60 0.00 -0.52 0.00 0.00 37.83 34.27 2p0p s LYS 96 CO 0.01 -0.54 1.94 1.25 -0.92 0.00 0.00 175.35 177.09 2p0p h LEU 97 N 8.36 0.64 -0.64 3.17 5.85 -1.29 -1.13 115.31 130.26 2p0p h LEU 97 Ca -0.36 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2p0p h LEU 97 Cb 1.17 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2p0p h LEU 97 CO 0.90 0.57 0.21 -1.20 -0.34 0.00 0.00 178.44 178.58 2p0p n SER 98 N -4.36 0.25 -0.09 1.25 7.64 -1.25 -1.91 113.62 115.14 2p0p n SER 98 Ca 0.04 0.51 0.04 0.00 1.01 0.00 0.00 58.87 60.47 2p0p n SER 98 Cb 0.14 -0.49 0.06 0.00 -1.01 0.00 0.00 64.21 62.91 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 -1.83 1.71 -4.43 6.43 2.03 -0.43 -5.05 116.55 114.97 2p0p n ASP 99 Ca -0.01 -2.38 -0.27 0.00 0.52 0.00 0.00 54.79 52.66 2p0p n ASP 99 Cb 0.23 -0.21 -0.12 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.59 2.41 -0.18 5.18 1.01 -0.80 -1.26 121.20 125.96 2p0p s ILE 100 Ca 0.14 -2.00 0.01 0.00 0.00 0.00 0.00 60.65 58.80 2p0p s ILE 100 Cb 0.12 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.46 2p0p s ILE 100 CO 0.01 -0.11 -0.17 -0.70 0.00 0.00 0.00 174.94 173.98 2p0p s GLU 101 N -2.66 2.63 0.24 2.79 2.12 -0.15 -4.92 118.70 118.74 2p0p s GLU 101 Ca 0.21 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.44 2p0p s GLU 101 Cb -0.08 -2.45 -0.09 0.00 0.26 0.00 0.00 34.13 31.77 2p0p s GLU 101 CO 0.10 -0.27 1.00 0.00 -0.54 0.00 0.00 175.26 175.55 2p0p s ALA 102 N 1.34 3.36 0.01 6.30 0.00 -1.26 -0.59 121.76 130.92 2p0p s ALA 102 Ca 0.03 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.75 2p0p s ALA 102 Cb -0.14 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 2p0p s ALA 102 CO -0.11 0.05 -0.14 0.42 0.00 0.00 0.00 175.76 175.98 2p0p s ILE 103 N -1.04 1.07 -1.48 0.00 1.01 -0.37 -4.86 121.20 115.53 2p0p s ILE 103 Ca 0.43 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 2p0p s ILE 103 Cb -0.28 -0.92 0.08 0.00 0.01 0.00 0.00 42.46 41.35 2p0p s ILE 103 CO 0.35 0.20 0.80 -0.67 0.00 0.00 0.00 174.94 175.62 2p0p n ASP 104 N 2.48 -4.58 -4.71 3.58 2.03 -1.26 -3.96 116.55 110.13 2p0p n ASP 104 Ca -0.15 -0.64 -0.24 0.00 0.52 0.00 0.00 54.79 54.28 2p0p n ASP 104 Cb 0.55 -3.70 -0.07 0.00 -0.72 0.00 0.00 41.12 37.18 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 -3.18 2.58 0.64 5.18 0.11 -1.26 -4.86 120.40 119.60 2p0p s VAL 105 Ca 0.57 -1.78 -0.17 0.00 -2.93 0.00 0.00 61.98 57.67 2p0p s VAL 105 Cb -0.29 -2.94 -0.01 0.00 -1.53 0.00 0.00 36.38 31.62 2p0p s VAL 105 CO 0.70 -0.10 1.17 -0.62 -3.33 0.00 0.00 175.10 172.91 2p0p s ASP 106 N -3.83 5.01 0.27 3.54 2.15 -1.26 -4.79 116.67 117.75 2p0p s ASP 106 Ca 0.38 2.24 0.00 0.00 0.43 0.00 0.00 52.55 55.60 2p0p s ASP 106 Cb 0.01 -2.58 0.52 0.00 -0.30 0.00 0.00 42.92 40.58 2p0p s ASP 106 CO 0.22 -1.71 1.83 -0.78 -0.17 0.00 0.00 175.17 174.55 2p0p h ASP 107 N 0.41 0.86 0.59 -0.34 3.58 -2.00 0.21 116.42 119.73 2p0p h ASP 107 Ca -0.49 0.05 -0.15 0.00 0.42 0.00 0.00 57.03 56.86 2p0p h ASP 107 Cb 1.28 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2p0p h ASP 107 CO 0.54 0.45 -0.70 -0.78 -2.88 0.00 0.00 179.24 175.87 2p0p h ASP 108 N 0.93 0.11 0.04 2.28 3.58 -1.93 0.80 116.42 122.24 2p0p h ASP 108 Ca 0.48 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.85 2p0p h ASP 108 Cb 0.48 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2p0p h ASP 108 CO -0.27 0.77 -0.02 0.74 -2.88 0.00 0.00 179.24 177.58 2p0p h THR 109 N 0.06 1.26 -0.49 2.25 2.02 -1.57 -1.96 112.91 114.49 2p0p h THR 109 Ca -0.01 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.19 2p0p h THR 109 Cb 1.24 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 69.54 2p0p h THR 109 CO 0.10 0.25 0.26 -0.61 0.37 0.00 0.00 175.52 175.89 2p0p h GLN 110 N -0.50 0.50 -0.66 6.66 -0.00 -0.81 -1.88 115.11 118.42 2p0p h GLN 110 Ca -0.01 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 2p0p h GLN 110 Cb 0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 27.80 2p0p h GLN 110 CO 0.01 0.33 0.20 0.93 0.00 0.00 0.00 178.83 180.30 2p0p h GLU 111 N 0.52 1.02 -0.50 1.69 4.39 -0.88 0.89 114.58 121.70 2p0p h GLU 111 Ca 0.21 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2p0p h GLU 111 Cb 0.09 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2p0p h GLU 111 CO -0.13 0.87 0.19 0.00 -1.16 0.00 0.00 179.01 178.78 2p0p h ALA 112 N 1.24 0.65 -0.20 3.43 0.00 -0.71 0.98 119.26 124.65 2p0p h ALA 112 Ca 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2p0p h ALA 112 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2p0p h ALA 112 CO -0.01 0.27 -0.09 0.82 0.00 0.00 0.00 179.25 180.24 2p0p h ILE 113 N 0.66 1.31 -0.71 0.00 2.04 -1.08 -1.89 117.51 117.83 2p0p h ILE 113 Ca 0.16 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.89 2p0p h ILE 113 Cb 0.21 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2p0p h ILE 113 CO -0.01 0.34 0.47 0.00 0.00 0.00 0.00 178.15 178.95 2p0p h ALA 114 N 0.70 0.91 -0.28 1.87 0.00 -0.70 -1.37 119.26 120.39 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 0.57 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2p0p h ALA 114 CO 0.03 0.30 -0.29 0.22 0.00 0.00 0.00 179.25 179.51 2p0p h ASP 115 N 0.95 0.59 -0.16 0.00 3.58 -0.70 0.10 116.42 120.77 2p0p h ASP 115 Ca 0.27 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2p0p h ASP 115 Cb -0.09 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2p0p h ASP 115 CO -0.07 0.85 0.10 -0.25 -2.88 0.00 0.00 179.24 176.99 2p0p h TRP 116 N 0.50 0.22 -0.73 0.28 2.91 -1.03 -0.01 115.95 118.07 2p0p h TRP 116 Ca 0.06 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 2p0p h TRP 116 Cb 0.76 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 29.30 2p0p h TRP 116 CO 0.03 0.19 0.42 -0.07 -1.03 0.00 0.00 178.44 177.97 2p0p h LEU 117 N 0.18 0.91 -0.33 0.65 3.38 -0.67 0.17 115.31 119.60 2p0p h LEU 117 Ca 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2p0p h LEU 117 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2p0p h LEU 117 CO -0.01 0.73 0.14 1.88 0.09 0.00 0.00 178.44 181.27 2p0p h TYR 118 N 1.01 0.49 -0.47 1.13 0.05 -0.70 -1.20 116.97 117.28 2p0p h TYR 118 Ca 0.26 -0.03 0.04 0.00 0.05 0.00 0.00 58.73 59.05 2p0p h TYR 118 Cb 0.01 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 2p0p h TYR 118 CO -0.00 0.45 0.23 2.35 -1.05 0.00 0.00 178.16 180.13 2p0p h TRP 119 N 0.38 0.43 -0.13 4.88 2.91 -0.61 -0.39 115.95 123.42 2p0p h TRP 119 Ca 0.11 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.08 2p0p h TRP 119 Cb 0.16 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 2p0p h TRP 119 CO -0.01 0.21 -0.25 1.25 -1.03 0.00 0.00 178.44 178.61 2p0p h LEU 120 N 0.46 0.22 -0.36 0.65 5.85 -0.59 -0.49 115.31 121.05 2p0p h LEU 120 Ca 0.21 -0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.69 2p0p h LEU 120 Cb 0.12 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2p0p h LEU 120 CO -0.15 0.48 -0.51 0.00 -0.34 0.00 0.00 178.44 177.91 2p0p h ALA 121 N 1.55 0.54 0.00 1.25 0.00 -0.93 -3.22 119.26 118.43 2p0p h ALA 121 Ca 0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2p0p h ALA 121 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2p0p h ALA 121 CO 0.04 0.68 -0.22 -0.09 0.00 0.00 0.00 179.25 179.66 2p0p h ARG 122 N 0.65 0.00 0.00 0.00 2.43 0.21 -3.47 114.38 114.19 2p0p h ARG 122 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2p0p h ARG 122 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2p0p h ARG 122 CO 0.11 0.22 0.00 0.41 -1.51 0.00 0.00 179.97 179.20 2p0p n GLY 123 N -0.34 -0.07 2.64 2.80 0.00 -0.32 -4.94 105.19 104.96 2p0p n GLY 123 Ca -0.01 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.56 -0.66 0.09 1.61 9.36 -1.26 -3.82 117.16 121.93 2p0p n TYR 124 Ca 0.00 -2.47 -0.05 0.00 3.32 0.00 0.00 57.90 58.70 2p0p n TYR 124 Cb 0.00 0.56 0.10 0.00 -0.63 0.00 0.00 39.34 39.37 2p0p n TYR 124 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 2p0p h LYS 125 N 2.60 0.19 0.00 2.98 1.79 -1.97 -3.53 116.57 118.62 2p0p h LYS 125 Ca -0.16 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 2p0p h LYS 125 Cb 1.21 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2p0p h LYS 125 CO 0.24 0.78 0.00 1.97 -1.08 0.00 0.00 179.45 181.37