#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0p s ALA 2 N 0.00 3.39 0.56 -5.12 0.00 -1.26 -4.94 121.76 114.40 2p0p s ALA 2 Ca 0.00 0.86 0.39 0.00 0.00 0.00 0.00 51.96 53.21 2p0p s ALA 2 Cb 0.00 -3.34 2.11 0.00 0.00 0.00 0.00 23.12 21.89 2p0p s ALA 2 CO 0.00 -0.19 2.28 0.77 0.00 0.00 0.00 175.76 178.62 2p0p h SER 3 N 4.48 0.00 0.46 0.00 0.02 -1.98 -0.75 113.55 115.78 2p0p h SER 3 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2p0p h SER 3 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2p0p h SER 3 CO 0.70 0.01 0.00 1.33 -1.14 0.00 0.00 176.83 177.73 2p0p n VAL 4 N -3.28 0.57 -1.20 2.27 0.24 -1.26 -4.27 118.33 111.39 2p0p n VAL 4 Ca -0.02 0.14 -0.41 0.00 -2.04 0.00 0.00 64.34 62.01 2p0p n VAL 4 Cb 0.12 -0.83 -0.04 0.00 -1.47 0.00 0.00 33.84 31.61 2p0p n VAL 4 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2p0p n GLU 5 N -1.37 1.81 -0.16 7.34 1.02 -0.29 -4.75 120.64 124.24 2p0p n GLU 5 Ca 0.07 -1.93 -0.03 0.00 -0.02 0.00 0.00 57.16 55.25 2p0p n GLU 5 Cb 0.17 -2.93 0.07 0.00 -0.02 0.00 0.00 31.44 28.73 2p0p n GLU 5 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2p0p h ARG 6 N 7.38 0.31 -1.82 3.49 9.65 -1.87 -3.45 114.38 128.07 2p0p h ARG 6 Ca 0.46 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.39 2p0p h ARG 6 Cb 0.61 -0.07 -0.20 0.00 -1.39 0.00 0.00 29.97 28.91 2p0p h ARG 6 CO 1.90 0.21 0.48 0.34 2.80 0.00 0.00 179.97 185.69 2p0p s ASP 7 N -5.36 -0.41 0.60 -3.80 2.15 -1.26 -5.06 116.67 103.52 2p0p s ASP 7 Ca -0.13 0.35 0.40 0.00 0.43 0.00 0.00 52.55 53.59 2p0p s ASP 7 Cb 0.15 0.36 2.02 0.00 -0.30 0.00 0.00 42.92 45.15 2p0p s ASP 7 CO 0.73 -0.46 2.20 -0.33 -0.17 0.00 0.00 175.17 177.14 2p0p h GLU 8 N 2.48 0.00 -0.92 4.34 5.08 -2.01 -1.25 114.58 122.31 2p0p h GLU 8 Ca -0.21 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.33 2p0p h GLU 8 Cb 1.18 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.32 2p0p h GLU 8 CO 0.32 0.00 0.50 1.79 -1.00 0.00 0.00 179.01 180.62 2p0p h THR 9 N 0.00 0.67 -0.49 1.13 1.35 -1.99 -1.11 112.91 112.47 2p0p h THR 9 Ca 0.00 -0.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 2p0p h THR 9 Cb 0.15 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.53 2p0p h THR 9 CO 0.00 0.12 0.17 0.03 -0.25 0.00 0.00 175.52 175.59 2p0p h ARG 10 N 0.63 0.75 0.04 4.72 -0.00 -1.65 0.75 114.38 119.62 2p0p h ARG 10 Ca 0.53 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.98 59.86 2p0p h ARG 10 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.69 2p0p h ARG 10 CO -0.40 0.69 -0.02 0.93 0.00 0.00 0.00 179.97 181.17 2p0p h GLU 11 N 0.65 -0.05 -0.00 0.04 4.39 -1.44 -1.54 114.58 116.63 2p0p h GLU 11 Ca 0.16 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2p0p h GLU 11 Cb 0.24 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2p0p h GLU 11 CO -0.01 -0.02 0.00 0.45 -1.16 0.00 0.00 179.01 178.27 2p0p h HIS 12 N -0.07 0.00 -0.47 4.33 3.86 -1.03 -2.77 115.15 119.00 2p0p h HIS 12 Ca -0.01 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 2p0p h HIS 12 Cb 0.05 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2p0p h HIS 12 CO -0.07 0.18 -0.10 0.00 0.86 0.00 0.00 177.93 178.80 2p0p h ARG 13 N -0.18 0.89 -0.49 2.45 2.47 -0.79 -0.61 114.38 118.12 2p0p h ARG 13 Ca 0.00 -0.33 -0.01 0.00 -1.26 0.00 0.00 59.98 58.38 2p0p h ARG 13 Cb 0.18 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2p0p h ARG 13 CO -0.00 0.98 0.28 0.97 0.56 0.00 0.00 179.97 182.76 2p0p h ILE 14 N 0.73 1.16 -0.80 2.04 2.10 -1.31 -1.19 117.51 120.24 2p0p h ILE 14 Ca 0.12 -0.38 -0.04 0.00 1.08 0.00 0.00 64.86 65.63 2p0p h ILE 14 Cb 0.64 0.53 -0.04 0.00 -1.09 0.00 0.00 36.82 36.86 2p0p h ILE 14 CO 0.04 0.17 0.33 -0.08 -1.08 0.00 0.00 178.15 177.53 2p0p h GLU 15 N 0.65 1.19 -0.02 2.19 4.81 -1.27 -1.84 114.58 120.29 2p0p h GLU 15 Ca 0.17 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2p0p h GLU 15 Cb 0.02 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2p0p h GLU 15 CO -0.03 0.95 -0.10 0.25 -0.73 0.00 0.00 179.01 179.35 2p0p n THR 16 N -4.28 0.00 0.00 0.32 -2.24 -0.25 -2.51 114.28 105.32 2p0p n THR 16 Ca 0.07 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2p0p n THR 16 Cb 0.18 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2p0p n THR 16 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2p0p n GLU 17 N 0.39 2.02 -0.05 -0.78 2.13 -0.48 -4.70 120.64 119.16 2p0p n GLU 17 Ca 0.15 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.91 2p0p n GLU 17 Cb 0.45 -0.76 -0.07 0.00 0.27 0.00 0.00 31.44 31.33 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2p0p n ILE 18 N -1.28 0.66 -0.64 6.31 5.41 -0.70 -4.73 119.36 124.39 2p0p n ILE 18 Ca 0.00 -0.36 0.01 0.00 1.00 0.00 0.00 62.75 63.40 2p0p n ILE 18 Cb 0.26 -0.80 0.01 0.00 -0.71 0.00 0.00 39.64 38.40 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 -2.50 0.62 -0.09 1.39 -0.00 -1.23 -3.82 119.36 113.73 2p0p n ILE 19 Ca -0.17 -0.65 0.02 0.00 -0.00 0.00 0.00 62.75 61.95 2p0p n ILE 19 Cb 0.78 0.63 0.33 0.00 -0.00 0.00 0.00 39.64 41.38 2p0p n ILE 19 CO 0.00 0.00 0.00 1.62 -0.00 0.00 0.00 176.55 178.17 2p0p h VAL 20 N 1.72 1.16 -0.01 7.28 3.04 -1.76 -2.83 116.25 124.84 2p0p h VAL 20 Ca 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2p0p h VAL 20 Cb 0.81 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2p0p h VAL 20 CO 0.00 0.16 0.00 -0.67 -1.01 0.00 0.00 177.57 176.05 2p0p n ASP 21 N -4.42 0.13 -4.10 3.17 2.03 -1.26 -4.86 116.55 107.24 2p0p n ASP 21 Ca 0.05 -1.24 -0.08 0.00 0.52 0.00 0.00 54.79 54.04 2p0p n ASP 21 Cb 0.07 -0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.37 2p0p n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p0p s ALA 22 N -1.99 0.58 0.00 -1.67 0.00 -1.07 -5.05 121.76 112.56 2p0p s ALA 22 Ca 0.38 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2p0p s ALA 22 Cb 0.18 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.54 2p0p s ALA 22 CO 0.29 -0.33 0.05 -0.85 0.00 0.00 0.00 175.76 174.92 2p0p n GLU 23 N 0.16 -0.05 -4.08 0.00 0.28 -1.26 -4.88 120.64 110.81 2p0p n GLU 23 Ca -0.14 -0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 56.68 2p0p n GLU 23 Cb 0.61 -0.52 -0.11 0.00 1.43 0.00 0.00 31.44 32.85 2p0p n GLU 23 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2p0p s ASP 24 N -0.01 0.89 0.34 -1.84 2.15 -1.26 -5.03 116.67 111.91 2p0p s ASP 24 Ca 0.00 -0.61 0.14 0.00 0.43 0.00 0.00 52.55 52.51 2p0p s ASP 24 Cb 0.00 0.04 1.08 0.00 -0.30 0.00 0.00 42.92 43.75 2p0p s ASP 24 CO 0.00 -0.24 1.66 0.07 -0.17 0.00 0.00 175.17 176.48 2p0p h LYS 25 N 4.28 0.28 -0.02 4.34 2.10 -1.93 0.13 116.57 125.76 2p0p h LYS 25 Ca -0.36 -0.02 -0.09 0.00 -2.00 0.00 0.00 60.65 58.18 2p0p h LYS 25 Cb 1.20 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2p0p h LYS 25 CO 0.44 0.19 -0.35 0.93 -2.00 0.00 0.00 179.45 178.66 2p0p h GLU 26 N 0.29 0.28 -0.51 0.07 5.08 -1.98 -0.47 114.58 117.34 2p0p h GLU 26 Ca 0.73 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.76 2p0p h GLU 26 Cb 1.68 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 2p0p h GLU 26 CO -0.62 0.96 0.07 0.93 -1.00 0.00 0.00 179.01 179.35 2p0p h GLU 27 N -0.30 0.81 -0.07 2.33 4.39 -1.67 -1.21 114.58 118.86 2p0p h GLU 27 Ca -0.04 -0.19 -0.17 0.00 0.34 0.00 0.00 59.36 59.30 2p0p h GLU 27 Cb 1.06 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2p0p h GLU 27 CO 0.07 0.77 -0.70 0.00 -1.16 0.00 0.00 179.01 177.98 2p0p h ARG 28 N 0.77 0.33 -0.41 2.33 3.08 -0.74 -0.11 114.38 119.63 2p0p h ARG 28 Ca 0.16 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 2p0p h ARG 28 Cb 0.36 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2p0p h ARG 28 CO 0.01 0.91 -0.03 0.00 -1.07 0.00 0.00 179.97 179.79 2p0p h ALA 29 N 1.02 1.19 -0.54 0.04 0.00 -0.67 -1.29 119.26 119.01 2p0p h ALA 29 Ca -0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2p0p h ALA 29 Cb 1.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2p0p h ALA 29 CO 0.12 0.53 -0.07 0.52 0.00 0.00 0.00 179.25 180.34 2p0p h MET 30 N 0.63 0.98 -0.13 0.00 2.86 -0.85 0.37 114.93 118.79 2p0p h MET 30 Ca 0.12 -0.34 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 2p0p h MET 30 Cb 0.43 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 2p0p h MET 30 CO 0.02 1.01 -0.17 0.78 1.06 0.00 0.00 176.91 179.61 2p0p h GLY 31 N 0.97 -0.12 0.46 8.32 0.00 -0.49 0.13 103.07 112.34 2p0p h GLY 31 Ca 0.15 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.74 2p0p h GLY 31 CO 0.04 -0.16 -0.09 1.49 0.00 0.00 0.00 176.54 177.81 2p0p h TRP 32 N -0.22 -0.22 -0.37 5.60 4.06 -1.13 -2.78 115.95 120.89 2p0p h TRP 32 Ca 0.10 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.12 2p0p h TRP 32 Cb 0.36 0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.61 2p0p h TRP 32 CO -0.28 -0.15 0.12 -0.92 -3.56 0.00 0.00 178.44 173.65 2p0p h TYR 33 N -0.06 0.21 0.20 0.49 5.03 -0.26 -1.47 116.97 121.11 2p0p h TYR 33 Ca 0.12 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 2p0p h TYR 33 Cb 0.24 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.48 2p0p h TYR 33 CO -0.27 0.08 -0.10 1.88 -1.32 0.00 0.00 178.16 178.43 2p0p h TYR 34 N 0.27 -0.25 -0.24 -3.82 0.05 -0.51 0.51 116.97 112.97 2p0p h TYR 34 Ca 0.17 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.79 2p0p h TYR 34 Cb 0.16 0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 2p0p h TYR 34 CO -0.15 -0.08 -0.46 0.10 -1.05 0.00 0.00 178.16 176.52 2p0p h TYR 35 N -0.37 0.76 -0.00 4.88 -0.00 -1.49 -2.76 116.97 117.99 2p0p h TYR 35 Ca -0.03 -0.24 -0.00 0.00 -0.00 0.00 0.00 58.73 58.46 2p0p h TYR 35 Cb 0.29 -0.15 -0.00 0.00 -0.00 0.00 0.00 36.73 36.86 2p0p h TYR 35 CO -0.03 0.97 0.00 1.25 -0.00 0.00 0.00 178.16 180.35 2p0p h LEU 36 N 0.50 0.01 -1.10 0.10 5.85 -1.00 -1.08 115.31 118.59 2p0p h LEU 36 Ca 0.03 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.50 2p0p h LEU 36 Cb 1.00 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 2p0p h LEU 36 CO 0.09 0.27 0.61 -0.78 -0.34 0.00 0.00 178.44 178.30 2p0p h ASP 37 N -0.26 1.04 0.54 1.25 3.58 -0.95 0.11 116.42 121.73 2p0p h ASP 37 Ca 0.00 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 2p0p h ASP 37 Cb 0.27 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2p0p h ASP 37 CO 0.00 0.74 -0.18 -0.78 -2.88 0.00 0.00 179.24 176.14 2p0p h ASP 38 N 1.22 0.00 0.13 2.28 3.58 -1.28 -3.28 116.42 119.07 2p0p h ASP 38 Ca 0.35 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.43 2p0p h ASP 38 Cb -0.10 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 2p0p h ASP 38 CO -0.08 0.18 -2.13 0.41 -2.88 0.00 0.00 179.24 174.73 2p0p n THR 39 N -3.59 1.64 -1.68 2.25 -1.04 -0.26 -4.92 114.28 106.68 2p0p n THR 39 Ca -0.01 -0.67 -0.44 0.00 -2.04 0.00 0.00 64.05 60.89 2p0p n THR 39 Cb 0.32 -1.44 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 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 3.90 -2.25 -4.42 4.77 0.24 -4.55 117.00 111.40 2p0p n LEU 40 Ca -0.34 0.97 -0.15 0.00 -0.03 0.00 0.00 56.01 56.45 2p0p n LEU 40 Cb 1.04 -1.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.50 2p0p n LEU 40 CO 0.38 0.11 1.82 1.21 -1.33 0.00 0.00 177.39 179.58 2p0p n GLU 41 N 6.20 2.11 -2.03 3.23 4.07 -1.26 -4.95 120.64 128.01 2p0p n GLU 41 Ca 0.19 -1.12 -0.34 0.00 -0.06 0.00 0.00 57.16 55.84 2p0p n GLU 41 Cb 0.36 -2.09 0.02 0.00 -0.06 0.00 0.00 31.44 29.67 2p0p n GLU 41 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 2p0p s PHE 42 N 1.36 2.73 0.56 4.31 -0.12 -1.26 -4.11 117.98 121.44 2p0p s PHE 42 Ca 0.62 1.54 -0.19 0.00 -0.05 0.00 0.00 56.93 58.86 2p0p s PHE 42 Cb 0.27 -3.17 -0.05 0.00 -0.63 0.00 0.00 43.02 39.44 2p0p s PHE 42 CO -0.01 -1.48 1.12 -1.25 -0.05 0.00 0.00 175.22 173.55 2p0p s PRO 43 N -3.77 3.31 0.01 1.99 0.04 -1.26 -5.03 135.00 130.29 2p0p s PRO 43 Ca 0.68 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2p0p s PRO 43 Cb -0.20 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 2p0p s PRO 43 CO 0.34 -0.87 0.00 1.97 0.04 0.00 0.00 177.00 178.49 2p0p n PHE 44 N -1.43 -0.07 -4.33 0.56 -1.74 -0.34 -5.00 117.46 105.10 2p0p n PHE 44 Ca 0.11 -0.04 -0.17 0.00 -0.56 0.00 0.00 57.45 56.79 2p0p n PHE 44 Cb 0.51 0.01 -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 -2.02 1.37 0.21 3.97 0.23 -1.26 -0.17 119.30 121.64 2p0p s MET 45 Ca 0.01 -1.71 -0.17 0.00 -1.03 0.00 0.00 55.69 52.79 2p0p s MET 45 Cb 0.00 -0.55 0.06 0.00 -1.53 0.00 0.00 34.83 32.81 2p0p s MET 45 CO 0.00 -0.15 0.83 0.41 -2.03 0.00 0.00 175.02 174.09 2p0p n GLY 46 N -0.45 0.82 3.28 3.16 0.00 -0.04 -1.11 105.19 110.86 2p0p n GLY 46 Ca -0.04 -1.15 -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 -2.05 3.29 -0.54 1.61 2.47 0.19 -0.92 119.74 123.79 2p0p s LYS 47 Ca 0.18 -0.69 -0.28 0.00 -1.56 0.00 0.00 55.97 53.62 2p0p s LYS 47 Cb -0.03 -2.81 0.01 0.00 -1.46 0.00 0.00 37.83 33.54 2p0p s LYS 47 CO 0.06 -0.09 1.42 -0.46 0.16 0.00 0.00 175.35 176.45 2p0p s TRP 48 N 1.14 2.29 -0.24 4.03 -0.11 0.50 -0.93 118.94 125.62 2p0p s TRP 48 Ca 0.01 0.51 -0.05 0.00 1.22 0.00 0.00 56.10 57.79 2p0p s TRP 48 Cb -0.14 -4.37 -0.12 0.00 -1.50 0.00 0.00 33.47 27.33 2p0p s TRP 48 CO -0.03 -1.98 3.25 1.63 -4.62 0.00 0.00 176.95 175.20 2p0p n LYS 49 N 8.58 2.24 -1.64 5.86 4.76 -0.17 -1.55 118.16 136.24 2p0p n LYS 49 Ca 0.13 -1.61 -0.51 0.00 -2.87 0.00 0.00 58.31 53.45 2p0p n LYS 49 Cb 0.49 -2.08 -0.06 0.00 -1.84 0.00 0.00 35.03 31.54 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 1.84 1.70 0.15 1.97 4.81 0.24 -4.55 118.16 124.33 2p0p n LYS 50 Ca 0.46 0.59 0.12 0.00 -0.87 0.00 0.00 58.31 58.62 2p0p n LYS 50 Cb 0.74 -2.50 0.14 0.00 0.02 0.00 0.00 35.03 33.43 2p0p n LYS 50 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2p0p h LYS 51 N 9.61 0.00 -6.17 1.64 3.64 -1.83 0.12 116.57 123.57 2p0p h LYS 51 Ca -0.44 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.38 2p0p h LYS 51 Cb 1.29 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2p0p h LYS 51 CO 0.97 0.00 1.36 -1.12 -2.27 0.00 0.00 179.45 178.39 2p0p s SER 52 N -5.52 5.95 0.38 4.20 0.01 -1.26 -4.34 113.70 113.13 2p0p s SER 52 Ca 0.05 2.28 -0.15 0.00 1.31 0.00 0.00 55.95 59.44 2p0p s SER 52 Cb 0.08 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.84 2p0p s SER 52 CO 0.71 -1.51 0.77 -0.60 0.41 0.00 0.00 173.24 173.02 2p0p s ARG 53 N 5.41 2.21 0.08 12.44 3.52 -1.26 -4.89 118.95 136.46 2p0p s ARG 53 Ca 0.94 -1.46 -0.24 0.00 -0.13 0.00 0.00 55.73 54.85 2p0p s ARG 53 Cb -0.38 0.62 -0.16 0.00 -1.56 0.00 0.00 34.95 33.47 2p0p s ARG 53 CO 0.38 -1.03 1.68 -0.22 -0.81 0.00 0.00 175.30 175.31 2p0p h LYS 54 N 2.01 -0.02 -7.66 5.12 3.64 -1.94 -3.43 116.57 114.27 2p0p h LYS 54 Ca -0.32 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.61 2p0p h LYS 54 Cb 1.25 0.01 0.13 0.00 -0.41 0.00 0.00 32.23 33.21 2p0p h LYS 54 CO 0.40 0.04 0.37 0.95 -2.27 0.00 0.00 179.45 178.94 2p0p s THR 55 N -5.98 2.04 -2.00 1.00 -4.23 -1.26 -4.98 115.64 100.23 2p0p s THR 55 Ca -0.13 -0.08 0.16 0.00 -1.18 0.00 0.00 61.69 60.46 2p0p s THR 55 Cb 0.05 -2.95 0.47 0.00 1.34 0.00 0.00 72.50 71.41 2p0p s THR 55 CO 0.66 0.00 1.54 -1.20 -0.54 0.00 0.00 174.62 175.08 2p0p n SER 56 N -3.50 0.00 -4.74 3.99 7.64 -1.26 -4.88 113.62 110.88 2p0p n SER 56 Ca 0.13 -1.24 -0.42 0.00 1.01 0.00 0.00 58.87 58.35 2p0p n SER 56 Cb 0.60 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 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 -2.00 2.38 0.43 0.44 2.01 -1.26 -4.92 115.64 112.72 2p0p s THR 57 Ca 0.25 0.30 -0.25 0.00 0.31 0.00 0.00 61.69 62.30 2p0p s THR 57 Cb 0.11 -3.19 -0.08 0.00 0.01 0.00 0.00 72.50 69.35 2p0p s THR 57 CO 0.19 0.04 1.24 -0.63 -0.69 0.00 0.00 174.62 174.77 2p0p s ILE 58 N 0.43 2.81 0.16 1.82 -1.09 -1.26 -4.56 121.20 119.51 2p0p s ILE 58 Ca 0.65 0.67 0.08 0.00 -2.23 0.00 0.00 60.65 59.82 2p0p s ILE 58 Cb -0.45 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2p0p s ILE 58 CO 0.40 0.05 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.39 2p0p s GLU 59 N -2.43 1.22 -0.14 2.79 0.41 0.43 -4.99 118.70 115.99 2p0p s GLU 59 Ca 0.60 -1.38 -0.01 0.00 -0.41 0.00 0.00 54.97 53.78 2p0p s GLU 59 Cb -0.34 -1.23 0.04 0.00 -1.78 0.00 0.00 34.13 30.82 2p0p s GLU 59 CO 0.43 0.24 -0.04 -1.21 -0.49 0.00 0.00 175.26 174.19 2p0p s GLU 60 N -2.80 1.30 -0.14 1.61 2.02 -1.26 -0.59 118.70 118.84 2p0p s GLU 60 Ca 0.14 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.77 2p0p s GLU 60 Cb -0.05 -1.79 0.02 0.00 0.10 0.00 0.00 34.13 32.40 2p0p s GLU 60 CO 0.06 -0.39 -0.16 0.21 0.02 0.00 0.00 175.26 174.99 2p0p s LYS 61 N 1.71 2.47 0.15 1.61 2.20 -0.59 -4.96 119.74 122.33 2p0p s LYS 61 Ca 0.02 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 2p0p s LYS 61 Cb -0.14 -2.14 -0.08 0.00 -1.51 0.00 0.00 37.83 33.96 2p0p s LYS 61 CO -0.08 -0.14 1.28 0.99 -0.36 0.00 0.00 175.35 177.05 2p0p s THR 62 N 1.19 3.45 0.01 3.43 2.01 -1.26 -0.37 115.64 124.10 2p0p s THR 62 Ca -0.01 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.12 2p0p s THR 62 Cb -0.14 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 2p0p s THR 62 CO -0.06 0.14 -0.02 0.68 -0.69 0.00 0.00 174.62 174.66 2p0p s VAL 63 N 0.47 0.09 -0.34 3.82 -7.23 -0.10 -0.90 120.40 116.21 2p0p s VAL 63 Ca 0.58 -0.64 -0.15 0.00 -1.81 0.00 0.00 61.98 59.96 2p0p s VAL 63 Cb -0.35 -0.19 -0.01 0.00 0.56 0.00 0.00 36.38 36.39 2p0p s VAL 63 CO 0.34 -0.34 0.37 -0.70 -0.31 0.00 0.00 175.10 174.46 2p0p s GLU 64 N -1.02 3.58 -0.50 4.82 2.12 -0.27 -0.86 118.70 126.57 2p0p s GLU 64 Ca -0.11 -0.39 -0.27 0.00 0.36 0.00 0.00 54.97 54.56 2p0p s GLU 64 Cb -0.07 -3.80 0.03 0.00 0.26 0.00 0.00 34.13 30.55 2p0p s GLU 64 CO -0.01 -0.52 1.03 0.08 -0.54 0.00 0.00 175.26 175.30 2p0p s VAL 65 N 2.04 4.31 0.17 3.70 1.01 0.76 -0.81 120.40 131.59 2p0p s VAL 65 Ca 0.12 0.83 0.07 0.00 0.00 0.00 0.00 61.98 63.01 2p0p s VAL 65 Cb -0.16 -4.54 -0.15 0.00 0.00 0.00 0.00 36.38 31.52 2p0p s VAL 65 CO 0.12 -1.01 1.39 -0.07 0.00 0.00 0.00 175.10 175.53 2p0p h LEU 66 N 11.02 0.04 0.00 3.92 3.38 -1.16 -0.90 115.31 131.61 2p0p h LEU 66 Ca -0.24 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2p0p h LEU 66 Cb 1.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2p0p h LEU 66 CO 1.09 0.89 0.00 0.61 0.09 0.00 0.00 178.44 181.12 2p0p n GLY 67 N 0.97 -2.73 3.75 0.83 0.00 -1.24 -4.08 105.19 102.68 2p0p n GLY 67 Ca -0.01 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.96 2.95 1.06 1.61 -1.94 -1.26 -0.70 119.30 119.06 2p0p s MET 68 Ca 0.00 1.88 -0.14 0.00 -1.71 0.00 0.00 55.69 55.72 2p0p s MET 68 Cb 0.00 -1.95 0.22 0.00 2.01 0.00 0.00 34.83 35.11 2p0p s MET 68 CO 0.00 -1.24 1.09 0.00 -0.01 0.00 0.00 175.02 174.86 2p0p s ALA 69 N -1.55 0.69 0.47 3.03 0.00 -0.28 -4.33 121.76 119.81 2p0p s ALA 69 Ca 0.77 -0.46 -0.21 0.00 0.00 0.00 0.00 51.96 52.06 2p0p s ALA 69 Cb -0.32 -3.09 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2p0p s ALA 69 CO 0.35 -3.11 0.70 -2.30 0.00 0.00 0.00 175.76 171.40 2p0p n PRO 70 N -4.37 0.78 0.17 0.00 -0.02 -1.26 -4.80 135.00 125.50 2p0p n PRO 70 Ca 0.06 0.29 0.14 0.00 -2.02 0.00 0.00 63.50 61.96 2p0p n PRO 70 Cb 0.57 -1.75 0.70 0.00 -0.02 0.00 0.00 33.50 33.00 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 0.82 0.00 -0.06 2.55 2.03 -1.95 -1.25 116.42 118.55 2p0p h ASP 71 Ca -0.43 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.78 2p0p h ASP 71 Cb 1.38 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.87 2p0p h ASP 71 CO 0.52 0.00 -0.21 -0.78 -1.03 0.00 0.00 179.24 177.73 2p0p h ASP 72 N 0.00 0.46 -0.31 4.15 3.58 -2.02 -1.92 116.42 120.35 2p0p h ASP 72 Ca 0.09 -0.14 -0.17 0.00 0.42 0.00 0.00 57.03 57.24 2p0p h ASP 72 Cb 0.40 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 2p0p h ASP 72 CO -0.00 0.68 -0.46 -0.33 -2.88 0.00 0.00 179.24 176.25 2p0p h GLU 73 N 0.41 0.86 -0.50 0.28 4.39 -1.60 -3.30 114.58 115.13 2p0p h GLU 73 Ca 0.07 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2p0p h GLU 73 Cb 0.60 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2p0p h GLU 73 CO 0.04 1.15 0.00 0.00 -1.16 0.00 0.00 179.01 179.04 2p0p n LEU 75 N -0.21 0.00 0.00 0.00 4.77 -1.09 -4.25 117.00 116.23 2p0p n LEU 75 Ca 0.00 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2p0p n LEU 75 Cb 0.12 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2p0p n LEU 75 CO 0.00 -0.09 0.00 2.29 -1.33 0.00 0.00 177.39 178.26 2p0p n LYS 76 N -1.38 2.41 -3.71 3.23 2.85 -1.25 -4.29 118.16 116.03 2p0p n LYS 76 Ca 0.08 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.20 2p0p n LYS 76 Cb 0.22 -0.46 -0.08 0.00 -0.65 0.00 0.00 35.03 34.06 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 -0.56 -0.33 -1.14 -5.58 -1.08 -1.26 -5.04 116.67 101.69 2p0p s ASP 77 Ca 0.00 0.36 -0.21 0.00 -0.52 0.00 0.00 52.55 52.17 2p0p s ASP 77 Cb 0.00 0.47 0.02 0.00 -1.46 0.00 0.00 42.92 41.95 2p0p s ASP 77 CO 0.00 -0.41 1.71 -0.04 0.52 0.00 0.00 175.17 176.94 2p0p s MET 78 N -0.98 3.42 0.45 4.34 -1.94 -1.26 -4.16 119.30 119.17 2p0p s MET 78 Ca -0.10 -1.35 -0.20 0.00 -1.71 0.00 0.00 55.69 52.32 2p0p s MET 78 Cb -0.04 -5.37 -0.10 0.00 2.01 0.00 0.00 34.83 31.33 2p0p s MET 78 CO 0.04 -2.68 0.98 0.71 -0.01 0.00 0.00 175.02 174.06 2p0p s TYR 79 N 6.39 3.22 0.02 -0.03 2.02 -1.26 -0.92 117.35 126.80 2p0p s TYR 79 Ca 0.56 1.59 0.02 0.00 -0.37 0.00 0.00 57.07 58.87 2p0p s TYR 79 Cb 0.00 -2.91 -0.02 0.00 -0.40 0.00 0.00 41.96 38.64 2p0p s TYR 79 CO 0.02 -0.35 -0.08 0.14 -1.57 0.00 0.00 175.55 173.71 2p0p s VAL 80 N -2.15 0.56 0.33 0.71 -7.23 0.26 -1.12 120.40 111.76 2p0p s VAL 80 Ca 0.63 -0.73 -0.26 0.00 -1.81 0.00 0.00 61.98 59.81 2p0p s VAL 80 Cb -0.11 -0.56 -0.09 0.00 0.56 0.00 0.00 36.38 36.17 2p0p s VAL 80 CO 0.16 -0.14 1.00 -1.61 -0.31 0.00 0.00 175.10 174.21 2p0p s GLU 81 N -0.95 4.49 -0.06 4.82 2.02 0.13 -0.68 118.70 128.46 2p0p s GLU 81 Ca -0.04 1.49 -0.08 0.00 0.02 0.00 0.00 54.97 56.36 2p0p s GLU 81 Cb -0.07 -2.84 0.02 0.00 0.10 0.00 0.00 34.13 31.34 2p0p s GLU 81 CO 0.00 0.16 0.21 0.08 0.02 0.00 0.00 175.26 175.74 2p0p s VAL 82 N -1.50 0.02 -0.09 2.63 1.01 -0.15 -0.70 120.40 121.62 2p0p s VAL 82 Ca 0.51 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2p0p s VAL 82 Cb -0.23 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 2p0p s VAL 82 CO 0.29 -0.08 -0.13 0.00 0.00 0.00 0.00 175.10 175.18 2p0p s ALA 83 N -0.22 2.68 -1.47 5.51 0.00 0.01 -0.40 121.76 127.87 2p0p s ALA 83 Ca -0.03 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 2p0p s ALA 83 Cb -0.03 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 22.00 2p0p s ALA 83 CO 0.01 0.41 2.44 -3.47 0.00 0.00 0.00 175.76 175.16 2p0p n ASP 84 N 2.86 6.18 0.27 0.00 2.03 -1.17 -1.11 116.55 125.61 2p0p n ASP 84 Ca -0.18 -2.83 0.17 0.00 0.52 0.00 0.00 54.79 52.48 2p0p n ASP 84 Cb 0.52 -1.56 0.93 0.00 -0.72 0.00 0.00 41.12 40.29 2p0p n ASP 84 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2p0p h ILE 85 N 3.46 0.00 -0.00 5.18 3.07 -1.84 0.23 117.51 127.61 2p0p h ILE 85 Ca 0.66 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.07 2p0p h ILE 85 Cb 0.48 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 37.78 2p0p h ILE 85 CO 1.77 0.00 -0.09 0.61 -1.05 0.00 0.00 178.15 179.39 2p0p n GLY 86 N -1.18 -0.83 0.00 0.16 0.00 -0.08 -4.72 105.19 98.54 2p0p n GLY 86 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 1.23 0.06 0.32 -0.02 0.00 -0.16 -4.83 105.19 101.80 2p0p n GLY 87 Ca 0.16 0.27 0.02 0.00 0.00 0.00 0.00 46.02 46.47 2p0p n GLY 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p0p h LYS 88 N 0.00 0.71 0.00 1.61 1.79 -1.77 -3.46 116.57 115.46 2p0p h LYS 88 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2p0p h LYS 88 Cb 0.00 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 2p0p h LYS 88 CO 0.00 0.49 0.00 -3.47 -1.08 0.00 0.00 179.45 175.39 2p0p n ASP 89 N -4.44 0.00 -0.31 0.86 2.03 0.63 -4.38 116.55 110.94 2p0p n ASP 89 Ca 0.05 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.39 2p0p n ASP 89 Cb 0.06 -0.19 0.07 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.01 2.37 -4.22 1.67 2.03 -1.26 -4.74 116.55 112.41 2p0p n ASP 90 Ca 0.00 -1.93 -0.13 0.00 0.52 0.00 0.00 54.79 53.25 2p0p n ASP 90 Cb 0.00 -0.11 -0.10 0.00 -0.72 0.00 0.00 41.12 40.19 2p0p n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2p0p s ASP 91 N -0.95 1.16 0.04 1.67 2.15 -1.26 -5.11 116.67 114.37 2p0p s ASP 91 Ca 0.11 -1.14 0.05 0.00 0.43 0.00 0.00 52.55 52.00 2p0p s ASP 91 Cb 0.06 0.12 -0.02 0.00 -0.30 0.00 0.00 42.92 42.78 2p0p s ASP 91 CO 0.08 -0.55 -0.14 -0.69 -0.17 0.00 0.00 175.17 173.70 2p0p s VAL 92 N -3.66 1.10 0.18 1.11 1.01 -1.26 -3.02 120.40 115.85 2p0p s VAL 92 Ca 0.21 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2p0p s VAL 92 Cb 0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2p0p s VAL 92 CO 0.02 -0.01 0.11 -1.22 0.00 0.00 0.00 175.10 174.00 2p0p n TYR 93 N 1.88 -0.20 -4.77 5.22 4.01 0.47 -4.99 117.16 118.78 2p0p n TYR 93 Ca -0.18 -1.32 -0.30 0.00 -0.16 0.00 0.00 57.90 55.94 2p0p n TYR 93 Cb 0.55 0.08 -0.14 0.00 -0.31 0.00 0.00 39.34 39.52 2p0p n TYR 93 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p0p s THR 94 N -2.50 2.43 0.08 -0.72 2.01 -1.26 -0.98 115.64 114.70 2p0p s THR 94 Ca 0.15 -1.32 0.02 0.00 0.31 0.00 0.00 61.69 60.85 2p0p s THR 94 Cb 0.01 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2p0p s THR 94 CO 0.11 0.34 -0.07 0.00 -0.69 0.00 0.00 174.62 174.31 2p0p s ALA 95 N -0.87 0.86 -0.04 7.40 0.00 0.14 -4.92 121.76 124.33 2p0p s ALA 95 Ca 0.13 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.65 2p0p s ALA 95 Cb -0.10 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2p0p s ALA 95 CO 0.04 -0.15 0.95 0.15 0.00 0.00 0.00 175.76 176.75 2p0p s LYS 96 N -3.05 4.50 0.45 0.00 3.01 -1.26 -0.57 119.74 122.82 2p0p s LYS 96 Ca 0.04 1.35 0.10 0.00 -1.01 0.00 0.00 55.97 56.45 2p0p s LYS 96 Cb -0.00 -3.48 1.01 0.00 -1.01 0.00 0.00 37.83 34.34 2p0p s LYS 96 CO -0.03 -0.12 2.09 1.25 0.51 0.00 0.00 175.35 179.05 2p0p h LEU 97 N 7.16 0.30 -1.07 3.17 5.85 -1.35 -1.07 115.31 128.31 2p0p h LEU 97 Ca -0.38 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2p0p h LEU 97 Cb 1.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2p0p h LEU 97 CO 0.78 0.22 0.21 -1.20 -0.34 0.00 0.00 178.44 178.11 2p0p n SER 98 N -4.50 0.42 -0.08 1.25 7.64 -1.26 -1.89 113.62 115.20 2p0p n SER 98 Ca 0.01 0.62 0.04 0.00 1.01 0.00 0.00 58.87 60.56 2p0p n SER 98 Cb 0.08 -0.61 0.06 0.00 -1.01 0.00 0.00 64.21 62.73 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 -2.13 1.80 -4.36 6.43 2.03 -0.41 -5.04 116.55 114.86 2p0p n ASP 99 Ca -0.01 -2.38 -0.23 0.00 0.52 0.00 0.00 54.79 52.69 2p0p n ASP 99 Cb 0.24 -0.20 -0.11 0.00 -0.72 0.00 0.00 41.12 40.32 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 -1.63 1.97 -0.16 5.18 1.01 -0.79 -1.00 121.20 125.78 2p0p s ILE 100 Ca 0.14 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.79 2p0p s ILE 100 Cb 0.12 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.66 2p0p s ILE 100 CO 0.01 -0.31 -0.13 -0.70 0.00 0.00 0.00 174.94 173.81 2p0p s GLU 101 N -2.91 2.27 0.26 2.79 2.12 -0.10 -4.90 118.70 118.23 2p0p s GLU 101 Ca 0.18 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 2p0p s GLU 101 Cb -0.06 -2.20 -0.09 0.00 0.26 0.00 0.00 34.13 32.04 2p0p s GLU 101 CO 0.08 -0.28 1.02 0.00 -0.54 0.00 0.00 175.26 175.54 2p0p s ALA 102 N 1.46 3.37 0.01 6.30 0.00 -1.26 -0.63 121.76 131.01 2p0p s ALA 102 Ca 0.04 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.80 2p0p s ALA 102 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2p0p s ALA 102 CO -0.10 0.01 -0.13 0.42 0.00 0.00 0.00 175.76 175.96 2p0p s ILE 103 N -1.18 1.01 -1.41 0.00 1.01 -0.26 -4.87 121.20 115.49 2p0p s ILE 103 Ca 0.43 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 2p0p s ILE 103 Cb -0.29 -0.88 0.07 0.00 0.01 0.00 0.00 42.46 41.37 2p0p s ILE 103 CO 0.37 0.13 0.65 -0.67 0.00 0.00 0.00 174.94 175.41 2p0p n ASP 104 N 2.35 -4.45 -4.79 3.58 2.03 -1.26 -3.98 116.55 110.03 2p0p n ASP 104 Ca -0.16 -0.49 -0.23 0.00 0.52 0.00 0.00 54.79 54.44 2p0p n ASP 104 Cb 0.55 -3.62 -0.05 0.00 -0.72 0.00 0.00 41.12 37.28 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 -3.08 2.65 0.65 5.18 0.11 -1.26 -4.86 120.40 119.78 2p0p s VAL 105 Ca 0.46 -1.55 -0.17 0.00 -2.93 0.00 0.00 61.98 57.79 2p0p s VAL 105 Cb -0.23 -3.01 -0.01 0.00 -1.53 0.00 0.00 36.38 31.60 2p0p s VAL 105 CO 0.57 -0.05 1.20 -0.62 -3.33 0.00 0.00 175.10 172.87 2p0p s ASP 106 N -3.98 4.82 0.23 3.54 2.15 -1.26 -4.78 116.67 117.39 2p0p s ASP 106 Ca 0.43 2.36 -0.06 0.00 0.43 0.00 0.00 52.55 55.70 2p0p s ASP 106 Cb -0.00 -2.59 0.32 0.00 -0.30 0.00 0.00 42.92 40.35 2p0p s ASP 106 CO 0.25 -1.84 1.82 -0.78 -0.17 0.00 0.00 175.17 174.44 2p0p h ASP 107 N 0.40 0.65 0.82 -0.34 3.58 -1.99 -0.01 116.42 119.52 2p0p h ASP 107 Ca -0.49 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 56.90 2p0p h ASP 107 Cb 1.29 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2p0p h ASP 107 CO 0.53 0.40 -0.47 -0.78 -2.88 0.00 0.00 179.24 176.04 2p0p h ASP 108 N 0.78 0.00 -0.02 2.28 3.58 -1.94 0.41 116.42 121.50 2p0p h ASP 108 Ca 0.35 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.79 2p0p h ASP 108 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2p0p h ASP 108 CO -0.21 0.47 -0.05 0.74 -2.88 0.00 0.00 179.24 177.31 2p0p h THR 109 N 0.00 1.48 -0.45 2.25 2.02 -1.60 -1.61 112.91 115.00 2p0p h THR 109 Ca -0.00 -1.50 0.02 0.00 0.77 0.00 0.00 66.41 65.69 2p0p h THR 109 Cb 1.01 2.45 -0.03 0.00 -1.74 0.00 0.00 68.15 69.84 2p0p h THR 109 CO 0.06 0.40 0.28 -0.61 0.37 0.00 0.00 175.52 176.02 2p0p h GLN 110 N -0.53 0.55 -0.68 6.66 -0.00 -0.82 -1.80 115.11 118.48 2p0p h GLN 110 Ca -0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 2p0p h GLN 110 Cb 0.68 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 28.01 2p0p h GLN 110 CO 0.01 0.36 0.28 0.93 0.00 0.00 0.00 178.83 180.41 2p0p h GLU 111 N 0.56 1.01 -0.74 1.69 4.39 -0.97 -0.16 114.58 120.37 2p0p h GLU 111 Ca 0.18 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2p0p h GLU 111 Cb -0.01 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 2p0p h GLU 111 CO -0.07 0.83 0.33 0.00 -1.16 0.00 0.00 179.01 178.94 2p0p h ALA 112 N 1.13 1.19 -0.17 3.43 0.00 -0.85 0.11 119.26 124.09 2p0p h ALA 112 Ca 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2p0p h ALA 112 Cb 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2p0p h ALA 112 CO -0.02 0.61 -0.16 0.82 0.00 0.00 0.00 179.25 180.50 2p0p h ILE 113 N 1.06 1.33 -0.69 0.00 2.04 -0.94 -2.00 117.51 118.31 2p0p h ILE 113 Ca 0.25 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2p0p h ILE 113 Cb 0.15 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 2p0p h ILE 113 CO -0.03 0.39 0.44 0.00 0.00 0.00 0.00 178.15 178.95 2p0p h ALA 114 N 0.64 1.48 -0.51 1.87 0.00 -0.77 -1.01 119.26 120.96 2p0p h ALA 114 Ca 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2p0p h ALA 114 Cb 0.69 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2p0p h ALA 114 CO 0.04 0.47 0.10 0.22 0.00 0.00 0.00 179.25 180.08 2p0p h ASP 115 N 0.94 0.79 -0.41 0.00 3.58 -0.61 -0.28 116.42 120.41 2p0p h ASP 115 Ca 0.25 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2p0p h ASP 115 Cb -0.08 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 2p0p h ASP 115 CO -0.05 0.83 0.18 -0.25 -2.88 0.00 0.00 179.24 177.06 2p0p h TRP 116 N 0.71 0.62 -0.26 0.28 2.91 -1.03 -1.38 115.95 117.79 2p0p h TRP 116 Ca 0.16 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 2p0p h TRP 116 Cb 0.36 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 2p0p h TRP 116 CO 0.02 0.53 0.12 -0.07 -1.03 0.00 0.00 178.44 178.02 2p0p h LEU 117 N 0.53 0.35 -0.74 0.65 3.38 -0.82 -0.51 115.31 118.14 2p0p h LEU 117 Ca 0.14 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2p0p h LEU 117 Cb 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2p0p h LEU 117 CO -0.01 0.38 -0.48 0.10 0.09 0.00 0.00 178.44 178.52 2p0p h TYR 118 N 0.29 0.44 -0.93 1.13 -0.00 -1.05 -2.33 116.97 114.52 2p0p h TYR 118 Ca 0.09 -0.14 0.03 0.00 0.00 0.00 0.00 58.73 58.71 2p0p h TYR 118 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 36.73 36.72 2p0p h TYR 118 CO -0.02 0.78 0.61 2.35 -0.00 0.00 0.00 178.16 181.88 2p0p h TRP 119 N 0.29 1.14 -0.40 0.10 2.91 -0.92 0.98 115.95 120.06 2p0p h TRP 119 Ca 0.02 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.00 2p0p h TRP 119 Cb 0.96 -0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.21 2p0p h TRP 119 CO 0.03 0.67 0.01 1.25 -1.03 0.00 0.00 178.44 179.37 2p0p h LEU 120 N 1.18 0.68 -1.48 0.65 5.85 -0.61 -2.34 115.31 119.25 2p0p h LEU 120 Ca 0.37 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2p0p h LEU 120 Cb -0.00 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2p0p h LEU 120 CO -0.11 0.81 -0.11 0.00 -0.34 0.00 0.00 178.44 178.69 2p0p h ALA 121 N 0.89 1.57 0.00 1.25 0.00 -1.06 -2.90 119.26 119.01 2p0p h ALA 121 Ca 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2p0p h ALA 121 Cb 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2p0p h ALA 121 CO 0.02 0.31 -0.10 -0.09 0.00 0.00 0.00 179.25 179.39 2p0p h ARG 122 N 0.19 0.00 0.00 0.00 9.65 -0.24 -3.45 114.38 120.54 2p0p h ARG 122 Ca 0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 2p0p h ARG 122 Cb 0.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2p0p h ARG 122 CO 0.02 0.10 0.00 0.41 2.80 0.00 0.00 179.97 183.29 2p0p n GLY 123 N -1.03 0.00 4.06 2.80 0.00 -1.13 -4.88 105.19 105.02 2p0p n GLY 123 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2p0p n GLY 123 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2p0p n TYR 124 N 0.00 -1.45 -0.06 1.61 9.36 -1.11 -4.90 117.16 120.60 2p0p n TYR 124 Ca 0.00 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.49 2p0p n TYR 124 Cb 0.00 -2.95 0.00 0.00 -0.63 0.00 0.00 39.34 35.76 2p0p n TYR 124 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2p0p n LYS 125 N -4.81 3.67 0.00 2.98 2.85 -1.26 -5.13 118.16 116.46 2p0p n LYS 125 Ca -0.16 -0.11 0.00 0.00 -1.05 0.00 0.00 58.31 56.99 2p0p n LYS 125 Cb 0.60 -0.52 0.00 0.00 -0.65 0.00 0.00 35.03 34.46 2p0p n LYS 125 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54