#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0p n ALA 2 N 0.00 -0.79 -0.50 3.04 0.00 -1.26 -4.85 120.51 116.14 2p0p n ALA 2 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 2p0p n ALA 2 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 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 -1.83 4.66 -1.06 0.00 7.64 -1.26 -3.89 113.62 117.88 2p0p n SER 3 Ca -0.14 -2.25 0.05 0.00 1.01 0.00 0.00 58.87 57.54 2p0p n SER 3 Cb 0.61 -1.02 0.09 0.00 -1.01 0.00 0.00 64.21 62.88 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 1.71 0.87 -1.74 0.44 0.24 -1.26 -5.07 118.33 113.52 2p0p n VAL 4 Ca 0.06 -1.79 -0.42 0.00 -2.04 0.00 0.00 64.34 60.14 2p0p n VAL 4 Cb 0.49 0.48 -0.01 0.00 -1.47 0.00 0.00 33.84 33.33 2p0p n VAL 4 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2p0p n GLU 5 N -0.19 2.50 0.09 7.34 0.00 -1.25 -4.93 120.64 124.20 2p0p n GLU 5 Ca 0.11 0.88 -0.09 0.00 0.00 0.00 0.00 57.16 58.06 2p0p n GLU 5 Cb 0.94 -2.58 -0.06 0.00 0.00 0.00 0.00 31.44 29.74 2p0p n GLU 5 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2p0p h ARG 6 N 3.37 -0.30 -1.70 3.44 2.43 -1.98 -3.48 114.38 116.17 2p0p h ARG 6 Ca -0.48 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.74 2p0p h ARG 6 Cb 1.25 0.07 -0.22 0.00 -0.42 0.00 0.00 29.97 30.65 2p0p h ARG 6 CO 0.68 0.02 0.43 0.34 -1.51 0.00 0.00 179.97 179.93 2p0p s ASP 7 N -5.30 -0.47 0.52 -3.80 2.15 -1.26 -5.03 116.67 103.48 2p0p s ASP 7 Ca -0.10 0.55 0.22 0.00 0.43 0.00 0.00 52.55 53.64 2p0p s ASP 7 Cb 0.00 0.43 1.34 0.00 -0.30 0.00 0.00 42.92 44.39 2p0p s ASP 7 CO 0.36 -0.41 2.05 -0.33 -0.17 0.00 0.00 175.17 176.67 2p0p h GLU 8 N 2.84 0.02 -0.63 4.34 5.08 -2.00 0.04 114.58 124.28 2p0p h GLU 8 Ca -0.22 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2p0p h GLU 8 Cb 1.16 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 2p0p h GLU 8 CO 0.32 0.01 0.28 1.15 -1.00 0.00 0.00 179.01 179.77 2p0p h THR 9 N 0.02 0.83 -0.49 1.13 2.02 -1.99 -0.29 112.91 114.14 2p0p h THR 9 Ca 0.17 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2p0p h THR 9 Cb 0.66 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2p0p h THR 9 CO -0.01 0.09 0.11 -0.09 0.37 0.00 0.00 175.52 175.99 2p0p h ARG 10 N 0.49 0.79 -0.40 6.66 9.65 -1.39 0.33 114.38 130.52 2p0p h ARG 10 Ca 0.31 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.92 2p0p h ARG 10 Cb 0.33 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 2p0p h ARG 10 CO -0.27 0.78 0.00 0.93 2.80 0.00 0.00 179.97 184.21 2p0p h GLU 11 N 0.67 0.71 0.03 0.20 4.39 -1.28 0.31 114.58 119.61 2p0p h GLU 11 Ca 0.15 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2p0p h GLU 11 Cb 0.35 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2p0p h GLU 11 CO 0.00 0.79 -0.01 0.45 -1.16 0.00 0.00 179.01 179.09 2p0p h HIS 12 N 0.54 -0.03 -0.54 4.33 3.86 -1.00 -2.85 115.15 119.46 2p0p h HIS 12 Ca 0.11 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.25 2p0p h HIS 12 Cb 0.47 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 2p0p h HIS 12 CO 0.04 0.05 0.06 0.00 0.86 0.00 0.00 177.93 178.94 2p0p h ARG 13 N -0.11 0.92 -0.55 2.45 3.08 -0.63 -1.03 114.38 118.52 2p0p h ARG 13 Ca -0.00 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 2p0p h ARG 13 Cb 0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2p0p h ARG 13 CO 0.01 0.91 0.24 0.97 -1.07 0.00 0.00 179.97 181.02 2p0p h ILE 14 N 0.81 1.21 -0.73 2.04 2.10 -0.99 0.40 117.51 122.35 2p0p h ILE 14 Ca 0.16 -0.64 -0.00 0.00 1.08 0.00 0.00 64.86 65.46 2p0p h ILE 14 Cb 0.45 0.61 -0.04 0.00 -1.09 0.00 0.00 36.82 36.76 2p0p h ILE 14 CO 0.02 0.25 0.45 -0.08 -1.08 0.00 0.00 178.15 177.71 2p0p h GLU 15 N 0.75 0.97 -0.02 2.19 4.57 -1.24 -1.07 114.58 120.72 2p0p h GLU 15 Ca 0.19 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2p0p h GLU 15 Cb 0.17 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2p0p h GLU 15 CO -0.02 0.67 -0.12 0.25 -1.18 0.00 0.00 179.01 178.61 2p0p n THR 16 N -4.40 0.00 0.00 0.32 -2.24 -0.42 -2.37 114.28 105.17 2p0p n THR 16 Ca 0.08 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2p0p n THR 16 Cb 0.06 1.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 2p0p n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2p0p n GLU 17 N 0.92 4.66 0.00 -0.78 1.02 0.08 -4.72 120.64 121.82 2p0p n GLU 17 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2p0p n GLU 17 Cb 0.54 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 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 -0.29 0.00 -0.52 -3.67 5.41 -0.44 -4.73 119.36 115.12 2p0p n ILE 18 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 2p0p n ILE 18 Cb 0.00 -0.78 0.04 0.00 -0.71 0.00 0.00 39.64 38.18 2p0p n ILE 18 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2p0p n ILE 19 N -2.14 1.05 -0.12 1.39 -0.00 -0.98 -4.42 119.36 114.13 2p0p n ILE 19 Ca 0.00 -1.15 0.05 0.00 -0.00 0.00 0.00 62.75 61.65 2p0p n ILE 19 Cb 0.48 0.37 0.37 0.00 -0.00 0.00 0.00 39.64 40.86 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 0.78 1.07 0.00 7.28 3.04 -1.68 -2.22 116.25 124.52 2p0p h VAL 20 Ca 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2p0p h VAL 20 Cb 0.75 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 2p0p h VAL 20 CO 0.00 0.13 0.00 -0.67 -1.01 0.00 0.00 177.57 176.02 2p0p n ASP 21 N -4.47 0.00 -4.08 3.17 2.03 -1.26 -4.83 116.55 107.11 2p0p n ASP 21 Ca 0.08 -0.80 -0.13 0.00 0.52 0.00 0.00 54.79 54.46 2p0p n ASP 21 Cb 0.15 -0.03 -0.11 0.00 -0.72 0.00 0.00 41.12 40.41 2p0p n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p0p s ALA 22 N -2.05 0.66 0.00 -1.67 0.00 -0.84 -5.06 121.76 112.81 2p0p s ALA 22 Ca 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2p0p s ALA 22 Cb 0.19 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2p0p s ALA 22 CO 0.33 -0.02 0.25 -0.85 0.00 0.00 0.00 175.76 175.47 2p0p n GLU 23 N 1.30 0.01 -4.09 0.00 0.28 -1.26 -4.88 120.64 112.00 2p0p n GLU 23 Ca -0.22 -0.25 -0.14 0.00 -0.16 0.00 0.00 57.16 56.39 2p0p n GLU 23 Cb 0.55 -0.50 -0.12 0.00 1.43 0.00 0.00 31.44 32.80 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 -0.00 0.84 0.38 -1.84 -1.08 -1.26 -5.04 116.67 108.67 2p0p s ASP 24 Ca 0.00 -0.47 0.13 0.00 -0.52 0.00 0.00 52.55 51.69 2p0p s ASP 24 Cb 0.00 0.01 0.95 0.00 -1.46 0.00 0.00 42.92 42.43 2p0p s ASP 24 CO 0.00 -0.15 1.85 0.07 0.52 0.00 0.00 175.17 177.46 2p0p h LYS 25 N 4.77 0.53 -0.28 4.34 2.10 -1.97 0.62 116.57 126.69 2p0p h LYS 25 Ca -0.34 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.16 2p0p h LYS 25 Cb 1.20 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2p0p h LYS 25 CO 0.42 0.35 -0.25 0.93 -2.00 0.00 0.00 179.45 178.91 2p0p h GLU 26 N 0.55 0.66 -0.45 0.07 5.08 -1.96 -0.20 114.58 118.33 2p0p h GLU 26 Ca 0.48 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 2p0p h GLU 26 Cb 0.99 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2p0p h GLU 26 CO -0.22 0.94 -0.22 0.93 -1.00 0.00 0.00 179.01 179.45 2p0p h GLU 27 N 0.40 0.91 0.00 2.33 4.39 -1.60 -2.62 114.58 118.38 2p0p h GLU 27 Ca 0.05 -0.38 -0.11 0.00 0.34 0.00 0.00 59.36 59.26 2p0p h GLU 27 Cb 0.81 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 2p0p h GLU 27 CO 0.06 1.03 -0.53 0.00 -1.16 0.00 0.00 179.01 178.41 2p0p h ARG 28 N 0.79 0.00 -0.81 2.33 3.08 -0.82 -1.23 114.38 117.71 2p0p h ARG 28 Ca 0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2p0p h ARG 28 Cb 0.77 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 2p0p h ARG 28 CO 0.06 0.53 0.40 0.00 -1.07 0.00 0.00 179.97 179.90 2p0p h ALA 29 N 1.47 1.18 -0.44 0.04 0.00 -0.80 -1.70 119.26 119.01 2p0p h ALA 29 Ca -0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2p0p h ALA 29 Cb 0.98 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2p0p h ALA 29 CO 0.07 0.63 -0.16 0.52 0.00 0.00 0.00 179.25 180.31 2p0p h MET 30 N 1.14 0.84 0.02 0.00 2.86 -1.01 0.20 114.93 118.98 2p0p h MET 30 Ca 0.28 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2p0p h MET 30 Cb 0.09 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 2p0p h MET 30 CO -0.04 0.94 -0.18 0.78 1.06 0.00 0.00 176.91 179.48 2p0p h GLY 31 N 0.96 -0.25 0.34 8.32 0.00 -0.81 0.37 103.07 111.99 2p0p h GLY 31 Ca 0.11 0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.70 2p0p h GLY 31 CO 0.05 -0.17 -0.24 1.49 0.00 0.00 0.00 176.54 177.67 2p0p h TRP 32 N -0.30 -0.64 -0.33 5.60 4.06 -1.24 -2.87 115.95 120.24 2p0p h TRP 32 Ca 0.05 0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.09 2p0p h TRP 32 Cb 0.36 0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.76 2p0p h TRP 32 CO -0.22 -0.32 -0.02 -0.92 -3.56 0.00 0.00 178.44 173.40 2p0p h TYR 33 N -0.32 -0.06 0.07 0.49 5.03 -0.42 -0.88 116.97 120.88 2p0p h TYR 33 Ca 0.09 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 2p0p h TYR 33 Cb 0.45 0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.81 2p0p h TYR 33 CO -0.32 -0.08 -0.03 1.88 -1.32 0.00 0.00 178.16 178.29 2p0p h TYR 34 N 0.07 -0.08 -0.26 -3.82 0.05 -0.82 0.12 116.97 112.22 2p0p h TYR 34 Ca 0.16 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.80 2p0p h TYR 34 Cb 0.22 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 2p0p h TYR 34 CO -0.25 0.17 -0.39 0.10 -1.05 0.00 0.00 178.16 176.74 2p0p h TYR 35 N -0.33 0.71 0.16 4.88 -0.00 -1.43 -2.09 116.97 118.86 2p0p h TYR 35 Ca -0.01 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.73 58.51 2p0p h TYR 35 Cb 0.29 -0.15 0.00 0.00 -0.00 0.00 0.00 36.73 36.87 2p0p h TYR 35 CO 0.01 0.89 -0.08 1.25 -0.00 0.00 0.00 178.16 180.23 2p0p h LEU 36 N 0.50 -0.18 -1.00 0.10 5.85 -1.00 -1.02 115.31 118.55 2p0p h LEU 36 Ca 0.05 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2p0p h LEU 36 Cb 0.89 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 2p0p h LEU 36 CO 0.08 0.01 0.66 -0.78 -0.34 0.00 0.00 178.44 178.07 2p0p h ASP 37 N -0.38 1.12 0.40 1.25 3.58 -0.94 0.83 116.42 122.28 2p0p h ASP 37 Ca -0.02 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2p0p h ASP 37 Cb 0.30 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2p0p h ASP 37 CO 0.04 0.78 -0.14 -0.78 -2.88 0.00 0.00 179.24 176.26 2p0p h ASP 38 N 1.30 0.00 0.15 2.28 3.58 -1.21 -3.26 116.42 119.26 2p0p h ASP 38 Ca 0.38 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.48 2p0p h ASP 38 Cb -0.07 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 2p0p h ASP 38 CO -0.11 0.14 -2.11 0.41 -2.88 0.00 0.00 179.24 174.69 2p0p n THR 39 N -3.67 1.62 -1.67 2.25 -1.04 -0.17 -4.90 114.28 106.70 2p0p n THR 39 Ca -0.02 -0.69 -0.44 0.00 -2.04 0.00 0.00 64.05 60.86 2p0p n THR 39 Cb 0.26 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.40 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 -3.24 3.98 -2.05 -4.42 4.77 0.11 -4.45 117.00 111.70 2p0p n LEU 40 Ca -0.32 0.93 -0.14 0.00 -0.03 0.00 0.00 56.01 56.45 2p0p n LEU 40 Cb 1.05 -1.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 2p0p n LEU 40 CO 0.39 0.13 1.57 -0.62 -1.33 0.00 0.00 177.39 177.53 2p0p n GLU 41 N 7.11 2.00 -1.34 3.23 -0.58 -1.26 -4.96 120.64 124.84 2p0p n GLU 41 Ca 0.20 -1.17 -0.33 0.00 -0.42 0.00 0.00 57.16 55.44 2p0p n GLU 41 Cb 0.38 -1.96 0.10 0.00 -0.57 0.00 0.00 31.44 29.39 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 0.44 2.07 0.68 -0.32 -0.12 -1.26 -4.46 117.98 115.01 2p0p s PHE 42 Ca 0.61 1.62 -0.14 0.00 -0.05 0.00 0.00 56.93 58.97 2p0p s PHE 42 Cb 0.31 -3.40 0.01 0.00 -0.63 0.00 0.00 43.02 39.31 2p0p s PHE 42 CO -0.04 -2.51 1.11 -1.25 -0.05 0.00 0.00 175.22 172.48 2p0p s PRO 43 N -4.10 2.68 0.00 1.99 0.04 -1.26 -5.02 135.00 129.33 2p0p s PRO 43 Ca 0.72 1.34 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2p0p s PRO 43 Cb -0.27 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 2p0p s PRO 43 CO 0.47 -1.34 0.00 1.97 0.04 0.00 0.00 177.00 178.15 2p0p n PHE 44 N -2.67 -0.27 -4.31 0.56 -1.74 -0.25 -5.00 117.46 103.78 2p0p n PHE 44 Ca 0.10 -0.03 -0.16 0.00 -0.56 0.00 0.00 57.45 56.80 2p0p n PHE 44 Cb 0.52 0.01 -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 -2.01 1.34 0.20 3.97 0.23 -1.25 -0.33 119.30 121.44 2p0p s MET 45 Ca 0.00 -1.70 -0.17 0.00 -1.03 0.00 0.00 55.69 52.80 2p0p s MET 45 Cb 0.00 -0.35 0.06 0.00 -1.53 0.00 0.00 34.83 33.01 2p0p s MET 45 CO 0.00 -0.22 0.81 0.41 -2.03 0.00 0.00 175.02 174.00 2p0p n GLY 46 N -0.41 0.83 3.27 3.16 0.00 -0.13 -1.00 105.19 110.91 2p0p n GLY 46 Ca -0.03 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 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 3.26 -0.62 1.61 2.47 0.19 -0.92 119.74 123.67 2p0p s LYS 47 Ca 0.18 -0.71 -0.27 0.00 -1.56 0.00 0.00 55.97 53.60 2p0p s LYS 47 Cb -0.03 -2.74 0.01 0.00 -1.46 0.00 0.00 37.83 33.61 2p0p s LYS 47 CO 0.06 -0.06 1.46 -0.46 0.16 0.00 0.00 175.35 176.51 2p0p s TRP 48 N 1.03 2.17 -0.37 4.03 -0.11 0.48 -1.17 118.94 125.00 2p0p s TRP 48 Ca -0.01 0.37 -0.06 0.00 1.22 0.00 0.00 56.10 57.62 2p0p s TRP 48 Cb -0.15 -4.41 -0.20 0.00 -1.50 0.00 0.00 33.47 27.22 2p0p s TRP 48 CO -0.02 -2.07 3.11 1.63 -4.62 0.00 0.00 176.95 174.98 2p0p n LYS 49 N 8.97 2.14 -1.60 5.86 4.76 -0.72 -1.80 118.16 135.78 2p0p n LYS 49 Ca 0.11 -1.16 -0.49 0.00 -2.87 0.00 0.00 58.31 53.90 2p0p n LYS 49 Cb 0.50 -2.13 -0.05 0.00 -1.84 0.00 0.00 35.03 31.50 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 2.87 1.74 -2.17 1.97 4.81 0.25 -4.58 118.16 123.05 2p0p n LYS 50 Ca 0.46 0.58 -0.42 0.00 -0.87 0.00 0.00 58.31 58.05 2p0p n LYS 50 Cb 0.65 -2.66 -0.03 0.00 0.02 0.00 0.00 35.03 33.02 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 5.09 4.26 0.34 1.64 1.02 -1.26 -0.64 119.74 130.18 2p0p s LYS 51 Ca 1.00 2.02 -0.29 0.00 0.02 0.00 0.00 55.97 58.72 2p0p s LYS 51 Cb -0.71 -3.62 -0.11 0.00 -0.52 0.00 0.00 37.83 32.88 2p0p s LYS 51 CO 0.49 -0.63 1.39 -1.12 -0.92 0.00 0.00 175.35 174.56 2p0p s SER 52 N 2.08 6.61 0.00 2.83 0.01 0.27 -4.81 113.70 120.68 2p0p s SER 52 Ca 0.66 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.73 2p0p s SER 52 Cb -0.32 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.25 2p0p s SER 52 CO 0.27 -0.68 0.00 0.54 0.41 0.00 0.00 173.24 173.78 2p0p n ARG 53 N 0.90 0.00 0.00 12.44 3.00 -1.26 -0.89 116.66 130.85 2p0p n ARG 53 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 2p0p n ARG 53 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 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 0.00 -0.38 0.21 5.56 5.02 -1.26 -4.76 118.16 122.56 2p0p n LYS 54 Ca 0.00 -0.23 0.10 0.00 -2.02 0.00 0.00 58.31 56.16 2p0p n LYS 54 Cb 0.00 -0.72 0.39 0.00 -0.02 0.00 0.00 35.03 34.68 2p0p n LYS 54 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2p0p h THR 55 N 0.52 0.51 0.00 -0.18 1.35 -1.84 -3.47 112.91 109.80 2p0p h THR 55 Ca 0.00 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 2p0p h THR 55 Cb 0.26 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2p0p h THR 55 CO 0.00 0.22 0.00 -1.20 -0.25 0.00 0.00 175.52 174.29 2p0p n SER 56 N -3.32 -0.26 -4.69 5.36 7.64 -0.07 -4.91 113.62 113.38 2p0p n SER 56 Ca 0.01 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 2p0p n SER 56 Cb 0.47 -1.88 -0.04 0.00 -1.01 0.00 0.00 64.21 61.75 2p0p n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2p0p n THR 57 N -2.01 0.11 -2.82 0.44 -1.04 -1.26 -4.34 114.28 103.36 2p0p n THR 57 Ca 0.00 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.58 2p0p n THR 57 Cb 0.02 -1.70 -0.06 0.00 -1.82 0.00 0.00 70.33 66.78 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 0.88 4.28 0.15 12.58 1.01 -1.26 -0.57 121.20 138.27 2p0p s ILE 58 Ca 0.76 1.96 0.08 0.00 0.00 0.00 0.00 60.65 63.45 2p0p s ILE 58 Cb -0.61 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.55 2p0p s ILE 58 CO 0.37 0.46 -0.07 -1.61 0.00 0.00 0.00 174.94 174.09 2p0p s GLU 59 N -0.84 2.17 -0.15 2.79 2.02 0.18 -4.94 118.70 119.93 2p0p s GLU 59 Ca 0.41 -1.14 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 2p0p s GLU 59 Cb -0.24 -2.26 0.04 0.00 0.10 0.00 0.00 34.13 31.77 2p0p s GLU 59 CO 0.29 0.47 -0.03 -1.21 0.02 0.00 0.00 175.26 174.80 2p0p s GLU 60 N -2.63 1.19 -0.08 1.61 2.02 -1.26 -0.58 118.70 118.97 2p0p s GLU 60 Ca 0.24 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.88 2p0p s GLU 60 Cb -0.10 -1.79 0.02 0.00 0.10 0.00 0.00 34.13 32.36 2p0p s GLU 60 CO 0.15 -0.42 -0.10 0.21 0.02 0.00 0.00 175.26 175.13 2p0p s LYS 61 N 1.73 1.58 0.17 1.61 2.20 -0.74 -4.97 119.74 121.32 2p0p s LYS 61 Ca 0.02 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 2p0p s LYS 61 Cb -0.15 -1.43 -0.08 0.00 -1.51 0.00 0.00 37.83 34.67 2p0p s LYS 61 CO -0.07 -0.08 1.23 0.99 -0.36 0.00 0.00 175.35 177.06 2p0p s THR 62 N 1.05 3.51 0.04 3.43 2.01 -1.26 -0.39 115.64 124.03 2p0p s THR 62 Ca -0.07 1.24 -0.02 0.00 0.31 0.00 0.00 61.69 63.14 2p0p s THR 62 Cb -0.15 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 2p0p s THR 62 CO -0.01 0.18 0.00 0.68 -0.69 0.00 0.00 174.62 174.79 2p0p s VAL 63 N 0.13 0.16 -0.11 3.82 -7.23 -0.10 -1.70 120.40 115.37 2p0p s VAL 63 Ca 0.55 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 59.35 2p0p s VAL 63 Cb -0.33 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2p0p s VAL 63 CO 0.36 -0.74 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.68 2p0p s GLU 64 N -2.83 3.23 -0.25 4.82 2.12 -0.49 -0.96 118.70 124.33 2p0p s GLU 64 Ca -0.03 -0.48 -0.02 0.00 0.36 0.00 0.00 54.97 54.80 2p0p s GLU 64 Cb 0.00 -2.80 0.03 0.00 0.26 0.00 0.00 34.13 31.61 2p0p s GLU 64 CO -0.06 0.50 -0.06 0.08 -0.54 0.00 0.00 175.26 175.18 2p0p s VAL 65 N -0.34 2.88 -0.10 3.70 1.01 0.55 -0.32 120.40 127.77 2p0p s VAL 65 Ca 0.06 -1.03 0.14 0.00 0.00 0.00 0.00 61.98 61.15 2p0p s VAL 65 Cb -0.12 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2p0p s VAL 65 CO 0.02 0.19 1.25 -0.07 0.00 0.00 0.00 175.10 176.49 2p0p h LEU 66 N 8.01 0.00 0.00 3.92 -0.00 -1.39 -0.65 115.31 125.20 2p0p h LEU 66 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2p0p h LEU 66 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2p0p h LEU 66 CO 0.57 0.62 0.00 0.61 -0.00 0.00 0.00 178.44 180.24 2p0p n GLY 67 N 1.30 -1.82 3.75 0.83 0.00 -1.25 -4.17 105.19 103.82 2p0p n GLY 67 Ca -0.02 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.78 2.87 1.04 1.61 -1.94 -1.26 -0.85 119.30 118.98 2p0p s MET 68 Ca 0.00 1.93 -0.13 0.00 -1.71 0.00 0.00 55.69 55.78 2p0p s MET 68 Cb 0.00 -1.93 0.21 0.00 2.01 0.00 0.00 34.83 35.12 2p0p s MET 68 CO 0.00 -1.32 1.08 0.00 -0.01 0.00 0.00 175.02 174.77 2p0p s ALA 69 N -1.51 0.63 0.26 3.03 0.00 -0.11 -4.32 121.76 119.75 2p0p s ALA 69 Ca 0.79 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 2p0p s ALA 69 Cb -0.33 -3.14 -0.15 0.00 0.00 0.00 0.00 23.12 19.50 2p0p s ALA 69 CO 0.36 -3.07 0.91 -2.30 0.00 0.00 0.00 175.76 171.66 2p0p n PRO 70 N -4.35 1.02 0.20 0.00 -0.02 -1.26 -4.82 135.00 125.77 2p0p n PRO 70 Ca 0.05 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 2p0p n PRO 70 Cb 0.57 -1.66 0.74 0.00 -0.02 0.00 0.00 33.50 33.12 2p0p n PRO 70 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2p0p h ASP 71 N 1.90 0.00 -0.38 2.55 2.03 -1.95 -1.02 116.42 119.56 2p0p h ASP 71 Ca -0.37 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 55.96 2p0p h ASP 71 Cb 1.36 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.84 2p0p h ASP 71 CO 0.61 0.00 0.25 -0.78 -1.03 0.00 0.00 179.24 178.29 2p0p h ASP 72 N 0.00 0.32 0.63 4.15 3.58 -2.02 -1.91 116.42 121.16 2p0p h ASP 72 Ca 0.07 -0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.25 2p0p h ASP 72 Cb 0.32 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 2p0p h ASP 72 CO -0.00 0.22 -1.51 -0.33 -2.88 0.00 0.00 179.24 174.74 2p0p h GLU 73 N 0.37 0.01 -0.93 0.28 5.08 -1.55 -3.36 114.58 114.49 2p0p h GLU 73 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2p0p h GLU 73 Cb 0.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2p0p h GLU 73 CO -0.04 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.64 2p0p n LEU 75 N 0.08 0.00 0.00 0.00 7.99 -1.18 -4.11 117.00 119.77 2p0p n LEU 75 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 56.01 56.43 2p0p n LEU 75 Cb 0.24 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 2p0p n LEU 75 CO 0.00 -0.17 0.00 2.29 -1.51 0.00 0.00 177.39 178.00 2p0p n LYS 76 N -1.43 2.68 -3.72 3.23 2.85 -1.26 -4.39 118.16 116.11 2p0p n LYS 76 Ca 0.06 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.18 2p0p n LYS 76 Cb 0.19 -0.26 -0.09 0.00 -0.65 0.00 0.00 35.03 34.21 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 -0.16 -0.39 -0.04 -5.58 2.15 -1.26 -4.83 116.67 106.57 2p0p s ASP 77 Ca 0.00 0.62 -0.29 0.00 0.43 0.00 0.00 52.55 53.31 2p0p s ASP 77 Cb 0.00 0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 43.28 2p0p s ASP 77 CO 0.00 -0.27 0.95 -0.04 -0.17 0.00 0.00 175.17 175.64 2p0p s MET 78 N -0.33 4.50 0.13 4.34 -1.94 -1.26 -4.28 119.30 120.46 2p0p s MET 78 Ca -0.05 1.33 0.08 0.00 -1.71 0.00 0.00 55.69 55.34 2p0p s MET 78 Cb -0.03 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 2p0p s MET 78 CO 0.02 -0.11 -0.19 0.71 -0.01 0.00 0.00 175.02 175.44 2p0p s TYR 79 N 1.28 1.74 0.02 -0.03 2.02 -1.26 -0.88 117.35 120.24 2p0p s TYR 79 Ca 0.49 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 2p0p s TYR 79 Cb -0.20 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 2p0p s TYR 79 CO 0.24 0.25 -0.07 0.14 -1.57 0.00 0.00 175.55 174.54 2p0p s VAL 80 N -1.71 0.54 0.25 0.71 -7.23 0.18 -0.93 120.40 112.21 2p0p s VAL 80 Ca 0.11 -0.67 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 2p0p s VAL 80 Cb -0.07 -0.53 -0.09 0.00 0.56 0.00 0.00 36.38 36.25 2p0p s VAL 80 CO 0.05 -0.11 1.10 -1.61 -0.31 0.00 0.00 175.10 174.23 2p0p s GLU 81 N -0.85 4.63 -0.08 4.82 2.02 -0.03 -0.89 118.70 128.31 2p0p s GLU 81 Ca -0.03 1.78 -0.04 0.00 0.02 0.00 0.00 54.97 56.70 2p0p s GLU 81 Cb -0.06 -3.21 0.04 0.00 0.10 0.00 0.00 34.13 31.00 2p0p s GLU 81 CO 0.00 0.17 0.18 0.54 0.02 0.00 0.00 175.26 176.17 2p0p s VAL 82 N -0.88 -0.07 -0.16 2.63 0.11 -0.34 -1.12 120.40 120.57 2p0p s VAL 82 Ca 0.46 0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 59.58 2p0p s VAL 82 Cb -0.31 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 2p0p s VAL 82 CO 0.39 0.08 0.21 0.00 -3.33 0.00 0.00 175.10 172.45 2p0p s ALA 83 N 1.31 3.68 -1.28 1.54 0.00 0.56 -0.40 121.76 127.16 2p0p s ALA 83 Ca -0.08 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 2p0p s ALA 83 Cb -0.11 -2.24 0.16 0.00 0.00 0.00 0.00 23.12 20.92 2p0p s ALA 83 CO -0.07 0.22 1.84 -3.47 0.00 0.00 0.00 175.76 174.28 2p0p n ASP 84 N 3.21 5.03 0.00 0.00 2.03 -1.00 -1.40 116.55 124.42 2p0p n ASP 84 Ca -0.15 -3.07 0.01 0.00 0.52 0.00 0.00 54.79 52.09 2p0p n ASP 84 Cb 0.52 -1.50 0.03 0.00 -0.72 0.00 0.00 41.12 39.45 2p0p n ASP 84 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2p0p n ILE 85 N 3.64 1.09 0.98 5.18 -5.35 -1.25 -0.47 119.36 123.18 2p0p n ILE 85 Ca 0.40 0.27 0.10 0.00 -0.27 0.00 0.00 62.75 63.26 2p0p n ILE 85 Cb 0.37 -1.25 -0.09 0.00 -1.74 0.00 0.00 39.64 36.93 2p0p n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p0p n GLY 86 N -1.18 -1.02 0.00 3.28 0.00 -0.69 -4.66 105.19 100.93 2p0p n GLY 86 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.49 0.40 0.00 -0.02 0.00 -0.64 -4.92 105.19 101.50 2p0p n GLY 87 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2p0p n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p0p n LYS 88 N 0.00 0.03 0.00 1.61 4.76 0.35 -5.05 118.16 119.86 2p0p n LYS 88 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2p0p n LYS 88 Cb 0.00 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 2p0p n LYS 88 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2p0p n ASP 89 N -1.48 0.00 -0.02 4.39 2.03 0.38 -4.40 116.55 117.45 2p0p n ASP 89 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 2p0p n ASP 89 Cb 0.04 -0.26 0.03 0.00 -0.72 0.00 0.00 41.12 40.21 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 0.02 2.06 -4.14 1.67 2.03 -1.26 -4.79 116.55 112.14 2p0p n ASP 90 Ca 0.00 -2.23 -0.09 0.00 0.52 0.00 0.00 54.79 52.98 2p0p n ASP 90 Cb 0.00 -0.10 -0.10 0.00 -0.72 0.00 0.00 41.12 40.20 2p0p n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2p0p s ASP 91 N -1.41 0.76 0.04 1.67 2.15 -1.26 -5.10 116.67 113.52 2p0p s ASP 91 Ca 0.07 -1.05 0.02 0.00 0.43 0.00 0.00 52.55 52.02 2p0p s ASP 91 Cb 0.06 0.17 -0.02 0.00 -0.30 0.00 0.00 42.92 42.83 2p0p s ASP 91 CO 0.01 -0.57 -0.07 0.54 -0.17 0.00 0.00 175.17 174.91 2p0p s VAL 92 N -3.81 0.45 0.00 1.11 0.11 -1.26 -2.38 120.40 114.63 2p0p s VAL 92 Ca 0.13 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 2p0p s VAL 92 Cb 0.07 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2p0p s VAL 92 CO -0.05 -0.39 0.00 -1.22 -3.33 0.00 0.00 175.10 170.11 2p0p n TYR 93 N 1.54 -0.08 -4.50 1.54 4.01 0.46 -4.99 117.16 115.14 2p0p n TYR 93 Ca -0.23 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.25 2p0p n TYR 93 Cb 0.55 0.00 -0.13 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 -1.86 1.88 0.10 -0.72 2.01 -1.26 -1.20 115.64 114.59 2p0p s THR 94 Ca 0.00 -1.47 0.04 0.00 0.31 0.00 0.00 61.69 60.57 2p0p s THR 94 Cb 0.00 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2p0p s THR 94 CO 0.00 0.11 -0.10 0.00 -0.69 0.00 0.00 174.62 173.94 2p0p s ALA 95 N -0.98 1.14 -0.04 7.40 0.00 -0.07 -4.90 121.76 124.31 2p0p s ALA 95 Ca 0.09 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 2p0p s ALA 95 Cb -0.10 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2p0p s ALA 95 CO 0.04 -0.04 1.22 0.15 0.00 0.00 0.00 175.76 177.13 2p0p s LYS 96 N -2.84 4.35 0.38 0.00 1.02 -1.26 -0.65 119.74 120.74 2p0p s LYS 96 Ca 0.06 1.71 0.05 0.00 0.02 0.00 0.00 55.97 57.81 2p0p s LYS 96 Cb -0.03 -3.54 0.76 0.00 -0.52 0.00 0.00 37.83 34.50 2p0p s LYS 96 CO 0.00 -0.44 2.04 1.25 -0.92 0.00 0.00 175.35 177.28 2p0p h LEU 97 N 8.09 0.59 -0.22 3.17 5.85 -1.32 -0.99 115.31 130.48 2p0p h LEU 97 Ca -0.35 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2p0p h LEU 97 Cb 1.17 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2p0p h LEU 97 CO 0.88 0.43 0.22 -1.20 -0.34 0.00 0.00 178.44 178.42 2p0p n SER 98 N -4.46 0.08 -0.07 1.25 7.64 -1.26 -1.74 113.62 115.06 2p0p n SER 98 Ca 0.05 0.37 0.02 0.00 1.01 0.00 0.00 58.87 60.31 2p0p n SER 98 Cb 0.05 -0.36 0.03 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.49 1.25 -4.44 6.43 2.03 -0.38 -5.05 116.55 114.90 2p0p n ASP 99 Ca -0.00 -1.91 -0.25 0.00 0.52 0.00 0.00 54.79 53.14 2p0p n ASP 99 Cb 0.22 -0.10 -0.11 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.93 2.39 -0.04 5.18 1.01 -0.71 -1.76 121.20 126.33 2p0p s ILE 100 Ca 0.06 -2.23 0.05 0.00 0.00 0.00 0.00 60.65 58.52 2p0p s ILE 100 Cb 0.05 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 2p0p s ILE 100 CO 0.01 -0.28 -0.18 -0.70 0.00 0.00 0.00 174.94 173.78 2p0p s GLU 101 N -3.14 1.86 0.13 2.79 2.56 -0.31 -4.89 118.70 117.70 2p0p s GLU 101 Ca 0.25 -0.66 -0.18 0.00 0.00 0.00 0.00 54.97 54.39 2p0p s GLU 101 Cb -0.06 -1.63 -0.07 0.00 2.00 0.00 0.00 34.13 34.37 2p0p s GLU 101 CO 0.12 0.28 0.60 0.00 -0.56 0.00 0.00 175.26 175.71 2p0p s ALA 102 N -0.05 3.55 0.02 6.30 0.00 -1.26 -0.64 121.76 129.67 2p0p s ALA 102 Ca -0.02 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.00 2p0p s ALA 102 Cb -0.11 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 2p0p s ALA 102 CO 0.02 0.40 -0.14 0.42 0.00 0.00 0.00 175.76 176.46 2p0p s ILE 103 N -1.31 1.10 -1.42 0.00 1.01 -0.17 -4.86 121.20 115.55 2p0p s ILE 103 Ca 0.35 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 2p0p s ILE 103 Cb -0.18 -0.96 0.06 0.00 0.01 0.00 0.00 42.46 41.40 2p0p s ILE 103 CO 0.20 0.14 0.65 -0.67 0.00 0.00 0.00 174.94 175.25 2p0p n ASP 104 N 2.27 -4.50 -4.80 3.58 2.03 -1.26 -3.93 116.55 109.93 2p0p n ASP 104 Ca -0.16 -0.48 -0.23 0.00 0.52 0.00 0.00 54.79 54.44 2p0p n ASP 104 Cb 0.55 -3.66 -0.05 0.00 -0.72 0.00 0.00 41.12 37.24 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 2.48 0.61 5.18 0.11 -1.26 -4.86 120.40 119.58 2p0p s VAL 105 Ca 0.46 -1.53 -0.18 0.00 -2.93 0.00 0.00 61.98 57.80 2p0p s VAL 105 Cb -0.23 -3.00 -0.02 0.00 -1.53 0.00 0.00 36.38 31.59 2p0p s VAL 105 CO 0.57 -0.00 1.20 -0.62 -3.33 0.00 0.00 175.10 172.91 2p0p s ASP 106 N -4.01 5.07 0.24 3.54 2.15 -1.26 -4.80 116.67 117.61 2p0p s ASP 106 Ca 0.44 2.35 -0.05 0.00 0.43 0.00 0.00 52.55 55.73 2p0p s ASP 106 Cb 0.00 -2.59 0.37 0.00 -0.30 0.00 0.00 42.92 40.41 2p0p s ASP 106 CO 0.25 -1.67 1.83 -0.78 -0.17 0.00 0.00 175.17 174.63 2p0p h ASP 107 N 0.68 0.77 0.78 -0.34 3.58 -1.99 -0.10 116.42 119.80 2p0p h ASP 107 Ca -0.50 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 56.87 2p0p h ASP 107 Cb 1.29 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 2p0p h ASP 107 CO 0.54 0.47 -0.56 -0.78 -2.88 0.00 0.00 179.24 176.03 2p0p h ASP 108 N 0.89 0.00 0.01 2.28 3.58 -1.94 0.40 116.42 121.64 2p0p h ASP 108 Ca 0.39 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.84 2p0p h ASP 108 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2p0p h ASP 108 CO -0.21 0.56 -0.01 0.74 -2.88 0.00 0.00 179.24 177.44 2p0p h THR 109 N 0.00 1.37 -0.48 2.25 2.02 -1.57 -2.01 112.91 114.50 2p0p h THR 109 Ca -0.01 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.02 2p0p h THR 109 Cb 1.10 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 69.64 2p0p h THR 109 CO 0.07 0.30 0.28 -0.61 0.37 0.00 0.00 175.52 175.93 2p0p h GLN 110 N -0.52 0.54 -0.79 6.66 -0.00 -0.82 -2.13 115.11 118.04 2p0p h GLN 110 Ca -0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.57 2p0p h GLN 110 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 27.83 2p0p h GLN 110 CO 0.00 0.36 0.31 0.93 0.00 0.00 0.00 178.83 180.43 2p0p h GLU 111 N 0.55 1.18 -0.67 1.69 4.39 -0.96 0.47 114.58 121.24 2p0p h GLU 111 Ca 0.20 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2p0p h GLU 111 Cb 0.04 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 2p0p h GLU 111 CO -0.10 0.96 0.31 0.00 -1.16 0.00 0.00 179.01 179.02 2p0p h ALA 112 N 1.19 0.86 -0.15 3.43 0.00 -0.87 0.54 119.26 124.26 2p0p h ALA 112 Ca 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2p0p h ALA 112 Cb 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2p0p h ALA 112 CO -0.02 0.44 -0.11 0.82 0.00 0.00 0.00 179.25 180.37 2p0p h ILE 113 N 0.93 1.34 -0.72 0.00 2.04 -0.99 -1.72 117.51 118.38 2p0p h ILE 113 Ca 0.23 -1.23 0.02 0.00 1.00 0.00 0.00 64.86 64.88 2p0p h ILE 113 Cb 0.13 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 2p0p h ILE 113 CO -0.03 0.36 0.47 0.00 0.00 0.00 0.00 178.15 178.95 2p0p h ALA 114 N 0.63 0.93 -0.46 1.87 0.00 -0.78 -1.35 119.26 120.11 2p0p h ALA 114 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2p0p h ALA 114 Cb 0.62 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2p0p h ALA 114 CO 0.03 0.29 -0.08 0.22 0.00 0.00 0.00 179.25 179.72 2p0p h ASP 115 N 0.94 0.78 -0.30 0.00 3.58 -0.80 0.53 116.42 121.15 2p0p h ASP 115 Ca 0.28 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2p0p h ASP 115 Cb -0.06 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 2p0p h ASP 115 CO -0.08 0.89 0.15 -0.25 -2.88 0.00 0.00 179.24 177.07 2p0p h TRP 116 N 0.73 0.42 -0.64 0.28 2.91 -0.98 0.26 115.95 118.94 2p0p h TRP 116 Ca 0.13 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.10 2p0p h TRP 116 Cb 0.55 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.04 2p0p h TRP 116 CO 0.03 0.38 0.29 -0.07 -1.03 0.00 0.00 178.44 178.04 2p0p h LEU 117 N 0.35 0.85 -0.11 0.65 3.38 -0.72 -1.42 115.31 118.30 2p0p h LEU 117 Ca 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2p0p h LEU 117 Cb 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2p0p h LEU 117 CO -0.01 0.76 0.05 1.88 0.09 0.00 0.00 178.44 181.21 2p0p h TYR 118 N 0.89 0.16 -0.68 1.13 0.05 -0.83 -2.65 116.97 115.04 2p0p h TYR 118 Ca 0.22 -0.01 0.12 0.00 0.05 0.00 0.00 58.73 59.11 2p0p h TYR 118 Cb 0.15 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 37.75 2p0p h TYR 118 CO 0.01 0.22 0.25 2.35 -1.05 0.00 0.00 178.16 179.94 2p0p h TRP 119 N 0.05 0.43 -0.62 4.88 2.91 -0.46 0.26 115.95 123.40 2p0p h TRP 119 Ca 0.04 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.10 2p0p h TRP 119 Cb 0.12 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 2p0p h TRP 119 CO -0.03 0.07 0.40 -0.07 -1.03 0.00 0.00 178.44 177.79 2p0p h LEU 120 N 0.42 0.69 -1.73 0.65 3.38 -1.19 -2.86 115.31 114.67 2p0p h LEU 120 Ca 0.36 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 2p0p h LEU 120 Cb 0.49 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2p0p h LEU 120 CO -0.36 0.50 -0.15 0.00 0.09 0.00 0.00 178.44 178.52 2p0p h ALA 121 N 1.24 1.22 0.00 1.53 0.00 -0.59 -0.95 119.26 121.71 2p0p h ALA 121 Ca 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2p0p h ALA 121 Cb -0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2p0p h ALA 121 CO -0.06 0.18 -0.10 0.00 0.00 0.00 0.00 179.25 179.27 2p0p h ARG 122 N 0.00 0.00 0.00 0.00 -0.00 -1.20 -3.46 114.38 109.72 2p0p h ARG 122 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2p0p h ARG 122 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.40 2p0p h ARG 122 CO 0.02 0.10 0.00 0.41 0.00 0.00 0.00 179.97 180.50 2p0p n GLY 123 N -0.70 0.76 3.65 0.04 0.00 -0.47 -4.66 105.19 103.81 2p0p n GLY 123 Ca -0.02 -0.17 -0.52 0.00 0.00 0.00 0.00 46.02 45.31 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 1.92 0.00 1.61 9.36 -0.57 -4.82 117.16 124.66 2p0p n TYR 124 Ca 0.00 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.67 2p0p n TYR 124 Cb 0.00 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.26 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 4.00 2.11 0.00 2.98 2.85 -1.26 -5.12 118.16 123.71 2p0p n LYS 125 Ca 0.21 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 2p0p n LYS 125 Cb 0.21 -0.42 0.00 0.00 -0.65 0.00 0.00 35.03 34.17 2p0p n LYS 125 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32