#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 2.59 0.34 -5.12 0.00 -1.26 -3.43 120.51 113.63 2p0p n ALA 2 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.34 2p0p n ALA 2 Cb 0.00 -1.26 0.50 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.53 0.61 -3.16 0.00 7.64 -1.26 -4.72 113.62 112.21 2p0p n SER 3 Ca 0.15 0.68 -0.16 0.00 1.01 0.00 0.00 58.87 60.55 2p0p n SER 3 Cb 0.13 -0.80 0.10 0.00 -1.01 0.00 0.00 64.21 62.63 2p0p n SER 3 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2p0p n VAL 4 N -2.21 0.00 -2.14 0.44 0.24 -1.26 -5.01 118.33 108.39 2p0p n VAL 4 Ca 0.01 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 2p0p n VAL 4 Cb 0.18 -1.57 -0.03 0.00 -1.47 0.00 0.00 33.84 30.95 2p0p n VAL 4 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2p0p s GLU 5 N -4.45 4.28 -0.08 7.34 2.02 -1.26 -5.00 118.70 121.55 2p0p s GLU 5 Ca 0.41 2.08 -0.03 0.00 0.02 0.00 0.00 54.97 57.45 2p0p s GLU 5 Cb -0.01 -3.46 0.05 0.00 0.10 0.00 0.00 34.13 30.80 2p0p s GLU 5 CO 0.28 -0.56 0.16 -0.98 0.02 0.00 0.00 175.26 174.19 2p0p s ARG 6 N 1.98 0.06 -0.02 1.61 3.03 -1.26 -4.86 118.95 119.49 2p0p s ARG 6 Ca 0.66 0.51 -0.26 0.00 2.03 0.00 0.00 55.73 58.67 2p0p s ARG 6 Cb -0.35 -0.23 0.06 0.00 -1.03 0.00 0.00 34.95 33.40 2p0p s ARG 6 CO 0.29 -0.26 0.58 0.34 -1.13 0.00 0.00 175.30 175.12 2p0p s ASP 7 N 1.91 -0.53 0.51 -2.89 2.15 -1.26 -5.05 116.67 111.50 2p0p s ASP 7 Ca -0.01 0.49 0.21 0.00 0.43 0.00 0.00 52.55 53.67 2p0p s ASP 7 Cb -0.12 0.49 1.28 0.00 -0.30 0.00 0.00 42.92 44.28 2p0p s ASP 7 CO -0.06 -0.60 2.03 1.05 -0.17 0.00 0.00 175.17 177.41 2p0p h GLU 8 N 3.11 0.09 -0.29 4.34 4.11 -2.01 -1.50 114.58 122.43 2p0p h GLU 8 Ca -0.28 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.12 2p0p h GLU 8 Cb 1.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2p0p h GLU 8 CO 0.39 0.06 0.08 1.15 0.07 0.00 0.00 179.01 180.76 2p0p h THR 9 N 0.10 1.21 -0.11 -1.06 2.02 -1.99 0.77 112.91 113.84 2p0p h THR 9 Ca 0.20 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 2p0p h THR 9 Cb 0.68 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2p0p h THR 9 CO -0.02 0.23 0.05 0.03 0.37 0.00 0.00 175.52 176.18 2p0p h ARG 10 N 0.30 0.17 0.32 6.66 2.47 -1.72 -2.57 114.38 120.00 2p0p h ARG 10 Ca 0.09 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2p0p h ARG 10 Cb 0.27 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2p0p h ARG 10 CO -0.00 0.23 -0.16 1.49 0.56 0.00 0.00 179.97 182.10 2p0p h GLU 11 N 0.06 -0.42 -0.15 0.04 4.81 -1.14 -1.92 114.58 115.86 2p0p h GLU 11 Ca 0.04 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2p0p h GLU 11 Cb 0.12 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2p0p h GLU 11 CO -0.00 -0.18 0.03 0.45 -0.73 0.00 0.00 179.01 178.57 2p0p h HIS 12 N -0.59 0.25 -0.58 0.92 3.86 -0.93 -1.95 115.15 116.14 2p0p h HIS 12 Ca -0.04 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 2p0p h HIS 12 Cb 0.43 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 2p0p h HIS 12 CO -0.01 0.41 0.24 0.00 0.86 0.00 0.00 177.93 179.43 2p0p h ARG 13 N 0.03 0.86 -0.45 2.45 2.47 -1.46 -0.17 114.38 118.11 2p0p h ARG 13 Ca 0.04 -0.15 -0.10 0.00 -1.26 0.00 0.00 59.98 58.52 2p0p h ARG 13 Cb 0.29 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2p0p h ARG 13 CO 0.00 0.73 -0.11 0.97 0.56 0.00 0.00 179.97 182.12 2p0p h ILE 14 N 0.79 1.27 -0.65 2.04 2.10 -1.33 -2.11 117.51 119.63 2p0p h ILE 14 Ca 0.19 -1.22 -0.04 0.00 1.08 0.00 0.00 64.86 64.87 2p0p h ILE 14 Cb 0.18 1.14 -0.03 0.00 -1.09 0.00 0.00 36.82 37.03 2p0p h ILE 14 CO -0.02 0.42 0.23 -0.08 -1.08 0.00 0.00 178.15 177.62 2p0p h GLU 15 N 0.70 0.97 -0.00 2.19 4.81 -1.00 -0.86 114.58 121.39 2p0p h GLU 15 Ca 0.11 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2p0p h GLU 15 Cb 0.65 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2p0p h GLU 15 CO 0.04 0.81 -0.63 0.25 -0.73 0.00 0.00 179.01 178.75 2p0p n THR 16 N -4.29 0.00 0.00 0.32 -2.24 -0.11 -2.72 114.28 105.24 2p0p n THR 16 Ca 0.05 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2p0p n THR 16 Cb 0.19 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 2p0p n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2p0p n GLU 17 N -1.07 4.10 -0.02 -0.78 1.02 -0.80 -4.72 120.64 118.36 2p0p n GLU 17 Ca 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 2p0p n GLU 17 Cb 0.36 -0.46 -0.02 0.00 -0.02 0.00 0.00 31.44 31.30 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 -0.22 0.24 -1.21 -3.67 5.41 -0.36 -4.70 119.36 114.85 2p0p n ILE 18 Ca 0.00 -0.12 0.06 0.00 1.00 0.00 0.00 62.75 63.69 2p0p n ILE 18 Cb 0.00 -0.79 0.08 0.00 -0.71 0.00 0.00 39.64 38.22 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 -2.36 1.20 -0.20 1.39 -0.00 -0.97 -3.99 119.36 114.42 2p0p n ILE 19 Ca -0.06 -1.42 0.06 0.00 -0.00 0.00 0.00 62.75 61.33 2p0p n ILE 19 Cb 0.60 0.10 0.34 0.00 -0.00 0.00 0.00 39.64 40.67 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 2.03 1.03 -0.08 7.28 3.04 -1.72 -2.16 116.25 125.68 2p0p h VAL 20 Ca 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2p0p h VAL 20 Cb 1.06 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2p0p h VAL 20 CO 0.00 0.15 0.00 -0.67 -1.01 0.00 0.00 177.57 176.04 2p0p n ASP 21 N -4.48 1.13 -4.34 3.17 2.03 -1.26 -4.91 116.55 107.89 2p0p n ASP 21 Ca 0.11 -1.53 -0.26 0.00 0.52 0.00 0.00 54.79 53.64 2p0p n ASP 21 Cb 0.22 -0.05 -0.12 0.00 -0.72 0.00 0.00 41.12 40.44 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 -1.90 2.11 0.00 -1.67 0.00 -0.81 -5.01 121.76 114.46 2p0p s ALA 22 Ca 0.35 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2p0p s ALA 22 Cb 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2p0p s ALA 22 CO 0.28 0.40 0.00 -0.85 0.00 0.00 0.00 175.76 175.60 2p0p n GLU 23 N 0.80 0.25 -3.04 0.00 0.28 -1.26 -4.92 120.64 112.75 2p0p n GLU 23 Ca -0.17 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.50 2p0p n GLU 23 Cb 0.54 -0.41 -0.06 0.00 1.43 0.00 0.00 31.44 32.94 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 -0.95 6.87 0.33 -1.84 2.15 -1.26 -4.92 116.67 117.05 2p0p s ASP 24 Ca 0.00 1.42 0.08 0.00 0.43 0.00 0.00 52.55 54.48 2p0p s ASP 24 Cb 0.00 -2.43 0.80 0.00 -0.30 0.00 0.00 42.92 40.99 2p0p s ASP 24 CO 0.00 -0.21 1.81 0.07 -0.17 0.00 0.00 175.17 176.67 2p0p h LYS 25 N 2.35 0.69 -0.42 4.34 2.10 -1.98 -0.69 116.57 122.96 2p0p h LYS 25 Ca -0.48 -0.04 -0.13 0.00 -2.00 0.00 0.00 60.65 58.00 2p0p h LYS 25 Cb 1.18 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.34 2p0p h LYS 25 CO 0.64 0.46 -0.24 0.93 -2.00 0.00 0.00 179.45 179.24 2p0p h GLU 26 N 0.71 0.90 -0.67 0.07 5.08 -1.93 -1.44 114.58 117.30 2p0p h GLU 26 Ca 0.54 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2p0p h GLU 26 Cb 0.90 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2p0p h GLU 26 CO -0.31 1.06 0.16 0.93 -1.00 0.00 0.00 179.01 179.85 2p0p h GLU 27 N 0.72 1.06 -0.60 2.33 5.08 -1.60 -0.75 114.58 120.81 2p0p h GLU 27 Ca 0.09 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 2p0p h GLU 27 Cb 0.81 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2p0p h GLU 27 CO 0.07 0.94 0.13 0.00 -1.00 0.00 0.00 179.01 179.15 2p0p h ARG 28 N 1.01 0.98 -0.74 2.33 3.08 -0.98 0.74 114.38 120.80 2p0p h ARG 28 Ca 0.21 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2p0p h ARG 28 Cb 0.36 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2p0p h ARG 28 CO 0.00 0.91 0.38 0.00 -1.07 0.00 0.00 179.97 180.19 2p0p h ALA 29 N 1.03 0.95 -0.65 0.04 0.00 -0.86 -1.92 119.26 117.85 2p0p h ALA 29 Ca 0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2p0p h ALA 29 Cb 0.38 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2p0p h ALA 29 CO 0.01 0.49 0.21 0.52 0.00 0.00 0.00 179.25 180.47 2p0p h MET 30 N 1.03 1.00 0.06 0.00 2.86 -0.71 0.14 114.93 119.32 2p0p h MET 30 Ca 0.26 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2p0p h MET 30 Cb 0.08 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2p0p h MET 30 CO -0.04 0.88 -0.11 0.78 1.06 0.00 0.00 176.91 179.48 2p0p h GLY 31 N 0.94 -0.19 0.43 8.32 0.00 -0.47 0.15 103.07 112.24 2p0p h GLY 31 Ca 0.21 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.72 2p0p h GLY 31 CO -0.01 -0.12 -0.14 1.49 0.00 0.00 0.00 176.54 177.76 2p0p h TRP 32 N -0.22 -0.36 -0.43 5.60 4.06 -1.29 -2.85 115.95 120.46 2p0p h TRP 32 Ca 0.02 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.04 2p0p h TRP 32 Cb 0.24 0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.54 2p0p h TRP 32 CO -0.14 -0.21 0.18 -0.92 -3.56 0.00 0.00 178.44 173.78 2p0p h TYR 33 N -0.15 0.32 0.19 0.49 3.20 -0.38 -0.88 116.97 119.75 2p0p h TYR 33 Ca 0.11 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2p0p h TYR 33 Cb 0.31 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2p0p h TYR 33 CO -0.28 0.14 -0.09 1.88 -1.64 0.00 0.00 178.16 178.17 2p0p h TYR 34 N 0.36 -0.23 -0.28 -3.82 0.05 -0.50 0.57 116.97 113.11 2p0p h TYR 34 Ca 0.19 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.81 2p0p h TYR 34 Cb 0.15 0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 2p0p h TYR 34 CO -0.13 -0.09 -0.46 0.10 -1.05 0.00 0.00 178.16 176.53 2p0p h TYR 35 N -0.33 0.89 0.17 4.88 -0.00 -1.46 -2.74 116.97 118.38 2p0p h TYR 35 Ca -0.03 -0.28 -0.01 0.00 -0.00 0.00 0.00 58.73 58.41 2p0p h TYR 35 Cb 0.25 -0.18 0.00 0.00 -0.00 0.00 0.00 36.73 36.80 2p0p h TYR 35 CO -0.04 1.05 -0.08 1.25 -0.00 0.00 0.00 178.16 180.34 2p0p h LEU 36 N 0.58 -0.19 -1.20 0.10 5.85 -0.88 -0.52 115.31 119.06 2p0p h LEU 36 Ca 0.04 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2p0p h LEU 36 Cb 1.01 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2p0p h LEU 36 CO 0.10 0.04 0.53 -0.78 -0.34 0.00 0.00 178.44 177.99 2p0p h ASP 37 N -0.41 0.93 0.65 1.25 3.58 -0.95 1.00 116.42 122.46 2p0p h ASP 37 Ca -0.02 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 2p0p h ASP 37 Cb 0.32 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2p0p h ASP 37 CO 0.04 0.68 -0.24 -0.78 -2.88 0.00 0.00 179.24 176.05 2p0p h ASP 38 N 1.10 0.00 0.15 2.28 3.58 -1.28 -3.31 116.42 118.95 2p0p h ASP 38 Ca 0.30 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.39 2p0p h ASP 38 Cb -0.12 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 2p0p h ASP 38 CO -0.06 0.24 -2.10 0.41 -2.88 0.00 0.00 179.24 174.85 2p0p n THR 39 N -3.59 1.65 -1.64 2.25 -1.04 -0.22 -4.86 114.28 106.83 2p0p n THR 39 Ca -0.01 -0.68 -0.43 0.00 -2.04 0.00 0.00 64.05 60.89 2p0p n THR 39 Cb 0.38 -1.41 -0.03 0.00 -1.82 0.00 0.00 70.33 67.44 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 -3.28 3.75 -2.31 -4.42 4.77 0.19 -4.35 117.00 111.35 2p0p n LEU 40 Ca -0.33 0.65 -0.19 0.00 -0.03 0.00 0.00 56.01 56.11 2p0p n LEU 40 Cb 1.05 -1.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.49 2p0p n LEU 40 CO 0.39 -0.15 1.91 -0.62 -1.33 0.00 0.00 177.39 177.59 2p0p n GLU 41 N 7.93 2.39 -1.16 3.23 1.02 -1.26 -4.96 120.64 127.83 2p0p n GLU 41 Ca 0.24 -1.44 -0.33 0.00 -0.02 0.00 0.00 57.16 55.61 2p0p n GLU 41 Cb 0.41 -2.16 0.12 0.00 -0.02 0.00 0.00 31.44 29.79 2p0p n GLU 41 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2p0p s PHE 42 N 0.72 1.95 0.66 -0.32 -0.12 -1.26 -4.48 117.98 115.13 2p0p s PHE 42 Ca 0.66 1.66 -0.15 0.00 -0.05 0.00 0.00 56.93 59.05 2p0p s PHE 42 Cb 0.30 -3.39 0.00 0.00 -0.63 0.00 0.00 43.02 39.31 2p0p s PHE 42 CO -0.04 -2.60 1.12 -1.25 -0.05 0.00 0.00 175.22 172.39 2p0p s PRO 43 N -4.26 2.76 0.02 1.99 0.04 -1.26 -5.02 135.00 129.26 2p0p s PRO 43 Ca 0.70 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2p0p s PRO 43 Cb -0.26 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 2p0p s PRO 43 CO 0.51 -1.29 0.02 1.97 0.04 0.00 0.00 177.00 178.24 2p0p n PHE 44 N -2.39 -0.26 -4.34 0.56 -1.74 -0.45 -5.00 117.46 103.84 2p0p n PHE 44 Ca 0.11 -0.12 -0.18 0.00 -0.56 0.00 0.00 57.45 56.70 2p0p n PHE 44 Cb 0.52 0.02 -0.10 0.00 1.52 0.00 0.00 39.48 41.43 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 -2.05 1.40 0.13 3.97 0.23 -1.26 -0.35 119.30 121.37 2p0p s MET 45 Ca 0.02 -1.73 -0.11 0.00 -1.03 0.00 0.00 55.69 52.84 2p0p s MET 45 Cb 0.00 -0.58 0.04 0.00 -1.53 0.00 0.00 34.83 32.76 2p0p s MET 45 CO 0.01 -0.15 0.53 0.41 -2.03 0.00 0.00 175.02 173.79 2p0p n GLY 46 N -0.47 1.04 3.20 3.16 0.00 -0.09 -1.26 105.19 110.78 2p0p n GLY 46 Ca -0.04 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.03 3.14 -0.44 1.61 2.47 0.39 -0.87 119.74 124.01 2p0p s LYS 47 Ca 0.12 -0.76 -0.29 0.00 -1.56 0.00 0.00 55.97 53.48 2p0p s LYS 47 Cb -0.02 -2.78 0.02 0.00 -1.46 0.00 0.00 37.83 33.59 2p0p s LYS 47 CO 0.04 -0.22 1.29 -0.46 0.16 0.00 0.00 175.35 176.16 2p0p s TRP 48 N 1.37 2.58 -0.50 4.03 -0.11 0.44 -1.07 118.94 125.67 2p0p s TRP 48 Ca 0.05 0.69 -0.07 0.00 1.22 0.00 0.00 56.10 57.99 2p0p s TRP 48 Cb -0.14 -4.37 -0.17 0.00 -1.50 0.00 0.00 33.47 27.29 2p0p s TRP 48 CO -0.08 -1.67 3.32 1.63 -4.62 0.00 0.00 176.95 175.52 2p0p n LYS 49 N 7.98 2.58 -1.68 5.86 4.76 -0.34 -1.17 118.16 136.15 2p0p n LYS 49 Ca 0.15 -1.55 -0.46 0.00 -2.87 0.00 0.00 58.31 53.57 2p0p n LYS 49 Cb 0.48 -2.24 -0.04 0.00 -1.84 0.00 0.00 35.03 31.39 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 2.55 2.23 -1.24 1.97 4.81 -0.69 -4.73 118.16 123.06 2p0p n LYS 50 Ca 0.53 0.81 -0.36 0.00 -0.87 0.00 0.00 58.31 58.42 2p0p n LYS 50 Cb 0.68 -2.62 -0.03 0.00 0.02 0.00 0.00 35.03 33.08 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 4.90 3.34 0.00 1.64 4.81 -1.26 -0.51 118.16 131.08 2p0p n LYS 51 Ca 0.19 -2.09 0.00 0.00 -0.87 0.00 0.00 58.31 55.54 2p0p n LYS 51 Cb 0.30 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.57 2p0p n LYS 51 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2p0p n SER 52 N 3.91 0.00 -2.61 3.14 3.41 -1.16 -0.60 113.62 119.71 2p0p n SER 52 Ca 0.71 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.20 2p0p n SER 52 Cb 0.23 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.20 2p0p n SER 52 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2p0p n ARG 53 N 0.00 1.91 0.00 4.33 0.00 -1.26 -4.93 116.66 116.71 2p0p n ARG 53 Ca 0.00 -3.62 0.00 0.00 -0.00 0.00 0.00 57.85 54.23 2p0p n ARG 53 Cb 0.00 -1.60 0.00 0.00 -0.00 0.00 0.00 32.46 30.86 2p0p n ARG 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2p0p n LYS 54 N -0.31 0.00 -0.49 2.89 4.81 0.23 -5.00 118.16 120.28 2p0p n LYS 54 Ca 0.17 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.32 2p0p n LYS 54 Cb 0.80 -2.55 0.25 0.00 0.02 0.00 0.00 35.03 33.54 2p0p n LYS 54 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2p0p n THR 55 N -1.96 0.00 0.29 3.15 -2.24 -1.26 -4.92 114.28 107.34 2p0p n THR 55 Ca 0.00 -0.41 0.16 0.00 -2.27 0.00 0.00 64.05 61.53 2p0p n THR 55 Cb 0.00 -0.89 0.86 0.00 -2.10 0.00 0.00 70.33 68.20 2p0p n THR 55 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2p0p h SER 56 N -2.68 0.00 -4.10 3.42 4.64 -1.94 -3.44 113.55 109.45 2p0p h SER 56 Ca -0.59 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.19 2p0p h SER 56 Cb 1.34 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.56 2p0p h SER 56 CO 0.45 0.06 0.49 -0.89 -0.87 0.00 0.00 176.83 176.07 2p0p s THR 57 N -4.18 2.37 -0.01 2.95 2.01 -1.26 -5.00 115.64 112.52 2p0p s THR 57 Ca -0.03 0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.25 2p0p s THR 57 Cb 0.13 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 2p0p s THR 57 CO 0.53 -0.05 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.64 2p0p s ILE 58 N -1.50 1.18 -0.41 1.82 1.01 -1.26 -2.97 121.20 119.07 2p0p s ILE 58 Ca 0.79 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 2p0p s ILE 58 Cb -0.34 -0.99 0.10 0.00 0.01 0.00 0.00 42.46 41.25 2p0p s ILE 58 CO 0.36 0.34 0.21 -1.61 0.00 0.00 0.00 174.94 174.24 2p0p s GLU 59 N -0.33 2.15 -0.59 2.79 0.41 0.33 -4.87 118.70 118.60 2p0p s GLU 59 Ca 0.05 -1.74 -0.27 0.00 -0.41 0.00 0.00 54.97 52.60 2p0p s GLU 59 Cb -0.06 -3.62 0.03 0.00 -1.78 0.00 0.00 34.13 28.70 2p0p s GLU 59 CO -0.00 -1.04 1.14 -1.21 -0.49 0.00 0.00 175.26 173.65 2p0p s GLU 60 N 1.21 3.44 -0.21 1.61 2.02 -1.26 -1.70 118.70 123.81 2p0p s GLU 60 Ca 0.06 0.08 -0.06 0.00 0.02 0.00 0.00 54.97 55.07 2p0p s GLU 60 Cb -0.23 -4.04 -0.03 0.00 0.10 0.00 0.00 34.13 29.93 2p0p s GLU 60 CO -0.03 -1.67 0.03 0.15 0.02 0.00 0.00 175.26 173.76 2p0p s LYS 61 N 4.76 3.70 0.15 1.61 1.02 -0.32 -4.95 119.74 125.71 2p0p s LYS 61 Ca 0.39 -0.48 -0.31 0.00 0.02 0.00 0.00 55.97 55.60 2p0p s LYS 61 Cb -0.09 -3.16 -0.08 0.00 -0.52 0.00 0.00 37.83 33.99 2p0p s LYS 61 CO 0.23 0.02 1.32 0.99 -0.92 0.00 0.00 175.35 176.99 2p0p s THR 62 N 1.00 3.38 0.03 2.17 2.01 -1.26 -0.42 115.64 122.55 2p0p s THR 62 Ca 0.03 1.06 -0.02 0.00 0.31 0.00 0.00 61.69 63.07 2p0p s THR 62 Cb -0.14 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 2p0p s THR 62 CO 0.02 0.12 0.00 0.68 -0.69 0.00 0.00 174.62 174.76 2p0p s VAL 63 N 0.62 0.13 -0.18 3.82 -7.23 -0.05 -0.84 120.40 116.68 2p0p s VAL 63 Ca 0.60 -1.08 -0.09 0.00 -1.81 0.00 0.00 61.98 59.60 2p0p s VAL 63 Cb -0.35 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 2p0p s VAL 63 CO 0.34 -0.60 0.12 -0.70 -0.31 0.00 0.00 175.10 173.95 2p0p s GLU 64 N -2.07 3.96 -0.34 4.82 2.12 -0.23 -0.92 118.70 126.03 2p0p s GLU 64 Ca -0.10 -0.21 -0.10 0.00 0.36 0.00 0.00 54.97 54.92 2p0p s GLU 64 Cb -0.05 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 31.03 2p0p s GLU 64 CO -0.03 0.42 0.17 0.08 -0.54 0.00 0.00 175.26 175.36 2p0p s VAL 65 N -0.01 4.42 0.14 3.70 1.01 0.53 -0.61 120.40 129.59 2p0p s VAL 65 Ca 0.09 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.38 2p0p s VAL 65 Cb -0.11 -3.39 -0.18 0.00 0.00 0.00 0.00 36.38 32.69 2p0p s VAL 65 CO -0.00 -0.11 1.33 -0.07 0.00 0.00 0.00 175.10 176.25 2p0p h LEU 66 N 8.37 0.04 0.00 3.92 4.07 -1.29 -1.20 115.31 129.21 2p0p h LEU 66 Ca -0.28 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.65 2p0p h LEU 66 Cb 1.12 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.84 2p0p h LEU 66 CO 0.64 0.96 0.00 0.61 -1.08 0.00 0.00 178.44 179.57 2p0p n GLY 67 N 1.16 -1.95 3.74 0.83 0.00 -1.25 -4.15 105.19 103.56 2p0p n GLY 67 Ca -0.01 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.80 2.50 1.16 1.61 -1.94 -1.26 -0.78 119.30 118.78 2p0p s MET 68 Ca 0.00 1.70 -0.16 0.00 -1.71 0.00 0.00 55.69 55.52 2p0p s MET 68 Cb 0.00 -1.88 0.26 0.00 2.01 0.00 0.00 34.83 35.22 2p0p s MET 68 CO 0.00 -1.55 1.06 0.00 -0.01 0.00 0.00 175.02 174.53 2p0p s ALA 69 N -1.95 0.30 0.67 3.03 0.00 -0.08 -4.28 121.76 119.45 2p0p s ALA 69 Ca 0.74 -0.58 -0.17 0.00 0.00 0.00 0.00 51.96 51.95 2p0p s ALA 69 Cb -0.28 -3.04 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 2p0p s ALA 69 CO 0.41 -3.53 0.34 -2.30 0.00 0.00 0.00 175.76 170.68 2p0p n PRO 70 N -4.71 0.28 -0.16 0.00 -0.02 -1.26 -4.73 135.00 124.40 2p0p n PRO 70 Ca 0.08 0.12 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 2p0p n PRO 70 Cb 0.58 -1.62 0.46 0.00 -0.02 0.00 0.00 33.50 32.90 2p0p n PRO 70 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2p0p h ASP 71 N -0.21 0.47 -0.03 2.55 3.58 -1.97 -1.07 116.42 119.75 2p0p h ASP 71 Ca -0.45 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 56.95 2p0p h ASP 71 Cb 1.37 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 2p0p h ASP 71 CO 0.42 0.27 -0.16 -0.78 -2.88 0.00 0.00 179.24 176.11 2p0p h ASP 72 N 0.52 0.34 0.03 2.28 3.58 -2.00 -2.14 116.42 119.03 2p0p h ASP 72 Ca 0.34 -0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.56 2p0p h ASP 72 Cb 0.63 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.60 2p0p h ASP 72 CO -0.12 0.53 -0.57 -0.33 -2.88 0.00 0.00 179.24 175.88 2p0p h GLU 73 N 0.33 0.33 0.00 0.28 4.39 -1.57 -3.31 114.58 115.03 2p0p h GLU 73 Ca 0.06 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2p0p h GLU 73 Cb 0.48 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2p0p h GLU 73 CO 0.03 1.10 0.00 0.00 -1.16 0.00 0.00 179.01 178.98 2p0p n LEU 75 N -1.15 0.19 0.00 0.00 4.77 -0.83 -4.36 117.00 115.63 2p0p n LEU 75 Ca 0.09 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 2p0p n LEU 75 Cb 0.09 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2p0p n LEU 75 CO 0.10 -0.04 -0.15 2.29 -1.33 0.00 0.00 177.39 178.26 2p0p n LYS 76 N -1.68 2.97 -3.53 3.23 0.00 -0.97 -4.53 118.16 113.65 2p0p n LYS 76 Ca 0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.24 2p0p n LYS 76 Cb 0.36 -0.65 -0.05 0.00 -0.00 0.00 0.00 35.03 34.70 2p0p n LYS 76 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2p0p s ASP 77 N -1.00 -0.49 -0.41 -5.58 2.15 -1.16 -5.03 116.67 105.15 2p0p s ASP 77 Ca 0.00 0.19 -0.29 0.00 0.43 0.00 0.00 52.55 52.88 2p0p s ASP 77 Cb 0.00 0.53 0.02 0.00 -0.30 0.00 0.00 42.92 43.17 2p0p s ASP 77 CO 0.00 -0.77 1.09 -0.04 -0.17 0.00 0.00 175.17 175.27 2p0p s MET 78 N -2.66 3.86 0.14 4.34 -1.94 -1.26 -3.84 119.30 117.93 2p0p s MET 78 Ca -0.04 0.74 0.09 0.00 -1.71 0.00 0.00 55.69 54.77 2p0p s MET 78 Cb -0.00 -3.83 -0.04 0.00 2.01 0.00 0.00 34.83 32.96 2p0p s MET 78 CO -0.03 -1.15 -0.21 0.71 -0.01 0.00 0.00 175.02 174.32 2p0p s TYR 79 N 4.03 1.92 0.02 -0.03 2.02 -1.26 -1.12 117.35 122.93 2p0p s TYR 79 Ca 0.46 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 2p0p s TYR 79 Cb -0.10 -1.01 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 2p0p s TYR 79 CO 0.24 0.30 -0.07 0.14 -1.57 0.00 0.00 175.55 174.59 2p0p s VAL 80 N -1.51 0.50 0.28 0.71 -7.23 0.32 -0.90 120.40 112.56 2p0p s VAL 80 Ca 0.12 -0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 2p0p s VAL 80 Cb -0.08 -0.49 -0.09 0.00 0.56 0.00 0.00 36.38 36.27 2p0p s VAL 80 CO 0.06 -0.11 1.06 -1.61 -0.31 0.00 0.00 175.10 174.19 2p0p s GLU 81 N -0.82 4.67 -0.08 4.82 2.02 0.04 -0.83 118.70 128.52 2p0p s GLU 81 Ca -0.03 1.73 -0.09 0.00 0.02 0.00 0.00 54.97 56.59 2p0p s GLU 81 Cb -0.06 -3.18 0.02 0.00 0.10 0.00 0.00 34.13 31.01 2p0p s GLU 81 CO 0.00 0.27 0.24 0.54 0.02 0.00 0.00 175.26 176.33 2p0p s VAL 82 N -1.19 0.01 -0.04 2.63 0.11 -0.30 -0.93 120.40 120.69 2p0p s VAL 82 Ca 0.44 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.48 2p0p s VAL 82 Cb -0.30 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2p0p s VAL 82 CO 0.39 -0.04 -0.24 0.00 -3.33 0.00 0.00 175.10 171.88 2p0p s ALA 83 N -0.06 2.23 -1.38 1.54 0.00 0.22 -0.39 121.76 123.92 2p0p s ALA 83 Ca -0.02 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 2p0p s ALA 83 Cb -0.02 -0.67 0.09 0.00 0.00 0.00 0.00 23.12 22.51 2p0p s ALA 83 CO 0.01 0.47 2.29 -3.47 0.00 0.00 0.00 175.76 175.06 2p0p n ASP 84 N 2.69 6.54 0.30 0.00 2.03 -1.21 -1.07 116.55 125.83 2p0p n ASP 84 Ca -0.17 -2.99 0.19 0.00 0.52 0.00 0.00 54.79 52.34 2p0p n ASP 84 Cb 0.52 -1.48 0.98 0.00 -0.72 0.00 0.00 41.12 40.42 2p0p n ASP 84 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2p0p h ILE 85 N 3.26 0.12 -0.00 5.18 3.07 -1.84 0.21 117.51 127.51 2p0p h ILE 85 Ca 0.61 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.02 2p0p h ILE 85 Cb 0.46 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 2p0p h ILE 85 CO 1.64 0.00 -0.09 0.61 -1.05 0.00 0.00 178.15 179.27 2p0p n GLY 86 N -1.21 -0.85 0.00 0.16 0.00 -0.02 -4.65 105.19 98.63 2p0p n GLY 86 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.24 0.09 0.37 -0.02 0.00 -0.01 -4.83 105.19 102.03 2p0p n GLY 87 Ca 0.16 0.18 -0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 1.18 0.00 1.61 1.79 -1.72 -3.46 116.57 115.97 2p0p h LYS 88 Ca 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2p0p h LYS 88 Cb 0.00 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.38 2p0p h LYS 88 CO 0.00 0.78 0.00 -3.47 -1.08 0.00 0.00 179.45 175.68 2p0p n ASP 89 N -4.42 0.00 -0.33 0.86 2.03 0.55 -4.40 116.55 110.85 2p0p n ASP 89 Ca 0.12 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.46 2p0p n ASP 89 Cb 0.06 -0.18 0.08 0.00 -0.72 0.00 0.00 41.12 40.35 2p0p n ASP 89 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2p0p n ASP 90 N 0.00 2.42 -4.21 1.67 2.03 -1.26 -4.75 116.55 112.44 2p0p n ASP 90 Ca 0.00 -1.95 -0.12 0.00 0.52 0.00 0.00 54.79 53.24 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 -0.97 1.16 0.04 1.67 2.15 -1.26 -5.12 116.67 114.34 2p0p s ASP 91 Ca 0.12 -1.12 0.03 0.00 0.43 0.00 0.00 52.55 52.01 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 -0.54 -0.09 -0.69 -0.17 0.00 0.00 175.17 173.77 2p0p s VAL 92 N -3.66 0.62 0.00 1.11 1.01 -1.26 -3.36 120.40 114.86 2p0p s VAL 92 Ca 0.20 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2p0p s VAL 92 Cb 0.06 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 2p0p s VAL 92 CO 0.01 -0.31 0.00 -1.22 0.00 0.00 0.00 175.10 173.58 2p0p n TYR 93 N 1.58 -0.06 -4.60 5.22 4.01 0.47 -4.99 117.16 118.80 2p0p n TYR 93 Ca -0.22 -0.03 -0.27 0.00 -0.16 0.00 0.00 57.90 57.23 2p0p n TYR 93 Cb 0.55 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.44 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 -2.06 1.86 0.07 -0.72 2.01 -1.26 -1.15 115.64 114.40 2p0p s THR 94 Ca 0.00 -1.39 0.04 0.00 0.31 0.00 0.00 61.69 60.65 2p0p s THR 94 Cb 0.00 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2p0p s THR 94 CO 0.00 0.17 -0.10 0.00 -0.69 0.00 0.00 174.62 174.00 2p0p s ALA 95 N -0.91 0.96 0.05 7.40 0.00 -0.01 -4.91 121.76 124.33 2p0p s ALA 95 Ca 0.09 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 2p0p s ALA 95 Cb -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 2p0p s ALA 95 CO 0.03 0.02 1.18 -1.59 0.00 0.00 0.00 175.76 175.39 2p0p s LYS 96 N -2.18 4.44 0.51 0.00 0.00 -1.26 -0.53 119.74 120.73 2p0p s LYS 96 Ca -0.01 1.73 0.16 0.00 0.00 0.00 0.00 55.97 57.85 2p0p s LYS 96 Cb -0.07 -3.37 1.26 0.00 0.00 0.00 0.00 37.83 35.65 2p0p s LYS 96 CO 0.01 -0.25 2.14 1.25 0.00 0.00 0.00 175.35 178.49 2p0p h LEU 97 N 6.88 0.03 -1.55 2.77 5.85 -1.45 -0.90 115.31 126.94 2p0p h LEU 97 Ca -0.41 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2p0p h LEU 97 Cb 1.21 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2p0p h LEU 97 CO 0.81 0.02 0.50 0.28 -0.34 0.00 0.00 178.44 179.71 2p0p h SER 98 N 0.03 0.00 -0.03 1.25 0.02 -1.92 -2.37 113.55 110.53 2p0p h SER 98 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2p0p h SER 98 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2p0p h SER 98 CO -0.00 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.02 2p0p n ASP 99 N -2.86 2.22 -4.48 3.07 2.03 -0.34 -5.01 116.55 111.19 2p0p n ASP 99 Ca -0.01 -2.36 -0.27 0.00 0.52 0.00 0.00 54.79 52.68 2p0p n ASP 99 Cb 0.55 -0.16 -0.11 0.00 -0.72 0.00 0.00 41.12 40.68 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 2.65 -0.15 5.18 1.01 -0.90 -1.19 121.20 126.18 2p0p s ILE 100 Ca 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.85 2p0p s ILE 100 Cb 0.10 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.31 2p0p s ILE 100 CO 0.02 -0.13 -0.11 -0.70 0.00 0.00 0.00 174.94 174.02 2p0p s GLU 101 N -2.78 2.00 0.26 2.79 2.12 -0.24 -4.92 118.70 117.94 2p0p s GLU 101 Ca 0.23 -0.55 -0.29 0.00 0.36 0.00 0.00 54.97 54.71 2p0p s GLU 101 Cb -0.08 -2.06 -0.09 0.00 0.26 0.00 0.00 34.13 32.16 2p0p s GLU 101 CO 0.12 -0.30 0.96 0.00 -0.54 0.00 0.00 175.26 175.50 2p0p s ALA 102 N 1.53 3.33 0.03 6.30 0.00 -1.26 -0.46 121.76 131.22 2p0p s ALA 102 Ca 0.03 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.68 2p0p s ALA 102 Cb -0.14 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2p0p s ALA 102 CO -0.09 0.15 -0.13 0.42 0.00 0.00 0.00 175.76 176.11 2p0p s ILE 103 N -1.25 0.99 -1.57 0.00 1.01 -0.38 -4.87 121.20 115.13 2p0p s ILE 103 Ca 0.43 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 2p0p s ILE 103 Cb -0.26 -0.90 0.10 0.00 0.01 0.00 0.00 42.46 41.42 2p0p s ILE 103 CO 0.32 0.02 0.93 -0.67 0.00 0.00 0.00 174.94 175.54 2p0p n ASP 104 N 2.07 -4.49 -4.59 3.58 2.03 -1.26 -4.00 116.55 109.89 2p0p n ASP 104 Ca -0.17 -0.82 -0.25 0.00 0.52 0.00 0.00 54.79 54.06 2p0p n ASP 104 Cb 0.55 -3.60 -0.10 0.00 -0.72 0.00 0.00 41.12 37.26 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 -3.28 2.42 0.64 5.18 0.11 -1.26 -4.85 120.40 119.36 2p0p s VAL 105 Ca 0.68 -2.08 -0.17 0.00 -2.93 0.00 0.00 61.98 57.49 2p0p s VAL 105 Cb -0.35 -2.74 -0.01 0.00 -1.53 0.00 0.00 36.38 31.75 2p0p s VAL 105 CO 0.84 -0.19 1.16 -0.62 -3.33 0.00 0.00 175.10 172.96 2p0p s ASP 106 N -3.67 4.98 0.29 3.54 2.15 -1.26 -4.77 116.67 117.93 2p0p s ASP 106 Ca 0.34 2.21 0.03 0.00 0.43 0.00 0.00 52.55 55.56 2p0p s ASP 106 Cb 0.02 -2.58 0.63 0.00 -0.30 0.00 0.00 42.92 40.69 2p0p s ASP 106 CO 0.18 -1.72 1.80 -0.78 -0.17 0.00 0.00 175.17 174.48 2p0p h ASP 107 N 0.33 0.81 0.27 -0.34 3.58 -2.00 0.69 116.42 119.76 2p0p h ASP 107 Ca -0.48 0.08 -0.18 0.00 0.42 0.00 0.00 57.03 56.87 2p0p h ASP 107 Cb 1.27 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2p0p h ASP 107 CO 0.54 0.36 -0.70 -0.78 -2.88 0.00 0.00 179.24 175.78 2p0p h ASP 108 N 0.84 0.45 -0.02 2.28 3.58 -1.93 0.10 116.42 121.72 2p0p h ASP 108 Ca 0.53 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 2p0p h ASP 108 Cb 0.69 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 2p0p h ASP 108 CO -0.33 1.01 -0.01 0.74 -2.88 0.00 0.00 179.24 177.77 2p0p h THR 109 N 0.26 1.32 -0.68 2.25 2.02 -1.57 -2.62 112.91 113.89 2p0p h THR 109 Ca -0.02 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.21 2p0p h THR 109 Cb 1.26 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.56 2p0p h THR 109 CO 0.12 0.25 0.44 -0.61 0.37 0.00 0.00 175.52 176.09 2p0p h GLN 110 N -0.35 0.90 -0.77 6.66 -0.00 -0.75 -2.33 115.11 118.47 2p0p h GLN 110 Ca 0.00 -0.06 0.03 0.00 -0.00 0.00 0.00 58.65 58.62 2p0p h GLN 110 Cb 0.41 -0.20 -0.05 0.00 0.00 0.00 0.00 27.48 27.65 2p0p h GLN 110 CO 0.00 0.61 0.50 0.93 0.00 0.00 0.00 178.83 180.86 2p0p h GLU 111 N 0.92 0.95 -0.44 1.69 4.39 -0.81 0.15 114.58 121.43 2p0p h GLU 111 Ca 0.25 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 2p0p h GLU 111 Cb -0.09 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.33 2p0p h GLU 111 CO -0.05 0.63 0.09 0.00 -1.16 0.00 0.00 179.01 178.51 2p0p h ALA 112 N 1.32 0.58 -0.20 3.43 0.00 -1.04 -0.28 119.26 123.07 2p0p h ALA 112 Ca 0.31 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2p0p h ALA 112 Cb -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2p0p h ALA 112 CO -0.10 0.28 -0.14 0.82 0.00 0.00 0.00 179.25 180.12 2p0p h ILE 113 N 0.58 1.32 -0.29 0.00 2.04 -1.14 -2.06 117.51 117.95 2p0p h ILE 113 Ca 0.14 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.77 2p0p h ILE 113 Cb 0.35 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 2p0p h ILE 113 CO 0.01 0.38 0.14 0.00 0.00 0.00 0.00 178.15 178.67 2p0p h ALA 114 N 0.68 0.35 0.00 1.87 0.00 -0.59 -1.93 119.26 119.64 2p0p h ALA 114 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2p0p h ALA 114 Cb 0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2p0p h ALA 114 CO 0.04 -0.25 -0.20 0.22 0.00 0.00 0.00 179.25 179.06 2p0p h ASP 115 N 0.29 0.00 -0.16 0.00 3.58 -1.02 0.25 116.42 119.36 2p0p h ASP 115 Ca 0.12 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2p0p h ASP 115 Cb 0.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2p0p h ASP 115 CO -0.09 0.20 0.05 -0.25 -2.88 0.00 0.00 179.24 176.26 2p0p h TRP 116 N 0.00 0.27 -0.51 0.28 2.91 -0.93 0.16 115.95 118.13 2p0p h TRP 116 Ca -0.00 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.97 2p0p h TRP 116 Cb 0.84 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.39 2p0p h TRP 116 CO 0.00 0.38 0.25 -0.07 -1.03 0.00 0.00 178.44 177.97 2p0p h LEU 117 N 0.08 0.65 0.34 0.65 3.38 -0.85 -1.59 115.31 117.98 2p0p h LEU 117 Ca 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2p0p h LEU 117 Cb 0.24 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2p0p h LEU 117 CO -0.00 0.59 -0.20 1.88 0.09 0.00 0.00 178.44 180.80 2p0p h TYR 118 N 0.67 -0.51 -0.91 1.13 0.05 -0.92 -2.84 116.97 113.64 2p0p h TYR 118 Ca 0.17 -0.01 0.21 0.00 0.05 0.00 0.00 58.73 59.16 2p0p h TYR 118 Cb 0.10 0.18 -0.12 0.00 1.01 0.00 0.00 36.73 37.90 2p0p h TYR 118 CO -0.01 -0.31 0.44 2.35 -1.05 0.00 0.00 178.16 179.59 2p0p h TRP 119 N -0.51 0.75 0.10 4.88 2.91 -0.34 0.26 115.95 123.99 2p0p h TRP 119 Ca -0.04 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 2p0p h TRP 119 Cb 0.41 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 2p0p h TRP 119 CO -0.08 0.02 -0.05 -0.07 -1.03 0.00 0.00 178.44 177.23 2p0p h LEU 120 N 0.48 -0.11 -0.48 0.65 3.38 -1.08 -1.83 115.31 116.31 2p0p h LEU 120 Ca 0.56 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.34 2p0p h LEU 120 Cb 1.02 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2p0p h LEU 120 CO -0.49 -0.04 -0.52 0.00 0.09 0.00 0.00 178.44 177.48 2p0p h ALA 121 N 0.73 0.66 -0.00 1.53 0.00 -0.98 -2.60 119.26 118.59 2p0p h ALA 121 Ca -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2p0p h ALA 121 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2p0p h ALA 121 CO 0.02 0.68 -0.04 -0.09 0.00 0.00 0.00 179.25 179.83 2p0p h ARG 122 N 0.50 0.00 0.00 0.00 2.43 -0.39 0.03 114.38 116.96 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 1.08 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2p0p h ARG 122 CO 0.10 0.04 0.00 0.41 -1.51 0.00 0.00 179.97 179.01 2p0p n GLY 123 N -1.43 -0.10 3.52 2.80 0.00 -0.70 -4.50 105.19 104.77 2p0p n GLY 123 Ca -0.03 0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 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 1.58 -0.08 1.61 9.36 -0.99 -4.87 117.16 123.77 2p0p n TYR 124 Ca 0.00 0.12 -0.11 0.00 3.32 0.00 0.00 57.90 61.23 2p0p n TYR 124 Cb 0.00 -2.61 -0.07 0.00 -0.63 0.00 0.00 39.34 36.03 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 15.13 0.00 0.00 2.98 1.79 -1.93 -3.51 116.57 131.03 2p0p h LYS 125 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2p0p h LYS 125 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2p0p h LYS 125 CO 1.07 0.58 0.00 1.97 -1.08 0.00 0.00 179.45 181.99