#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 2.09 -2.61 -5.12 0.00 -0.61 -4.93 120.51 109.33 2p0p n ALA 2 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 2p0p n ALA 2 Cb 0.00 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.65 -4.76 -0.14 0.00 7.64 -1.26 -4.87 113.62 108.58 2p0p n SER 3 Ca 0.05 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.11 2p0p n SER 3 Cb 0.30 -3.97 0.56 0.00 -1.01 0.00 0.00 64.21 60.08 2p0p n SER 3 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2p0p h VAL 4 N -0.29 0.75 -3.60 0.44 -1.51 -1.90 -3.39 116.25 106.74 2p0p h VAL 4 Ca -0.40 -0.10 -0.18 0.00 -1.23 0.00 0.00 66.70 64.78 2p0p h VAL 4 Cb 1.29 0.43 -0.24 0.00 -2.13 0.00 0.00 31.29 30.63 2p0p h VAL 4 CO 0.47 0.06 -0.60 -1.61 -1.23 0.00 0.00 177.57 174.65 2p0p s GLU 5 N -5.30 0.24 0.00 5.19 2.02 -1.26 -5.08 118.70 114.51 2p0p s GLU 5 Ca -0.07 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 54.77 2p0p s GLU 5 Cb 0.21 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.54 2p0p s GLU 5 CO 0.76 -0.05 0.38 2.89 0.02 0.00 0.00 175.26 179.27 2p0p n ARG 6 N 2.35 0.00 -2.28 1.61 1.85 -1.26 -5.02 116.66 113.91 2p0p n ARG 6 Ca -0.17 -0.38 -0.43 0.00 -1.00 0.00 0.00 57.85 55.87 2p0p n ARG 6 Cb 0.58 -0.43 -0.02 0.00 -1.05 0.00 0.00 32.46 31.53 2p0p n ARG 6 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2p0p s ASP 7 N 0.00 6.28 0.66 2.89 2.15 -1.26 -4.90 116.67 122.50 2p0p s ASP 7 Ca 0.00 0.97 0.41 0.00 0.43 0.00 0.00 52.55 54.36 2p0p s ASP 7 Cb 0.00 -2.54 2.26 0.00 -0.30 0.00 0.00 42.92 42.34 2p0p s ASP 7 CO 0.00 -1.45 2.28 -0.33 -0.17 0.00 0.00 175.17 175.50 2p0p h GLU 8 N 11.01 0.00 -0.89 4.34 5.08 -2.01 -2.05 114.58 130.07 2p0p h GLU 8 Ca -0.29 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2p0p h GLU 8 Cb 1.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 2p0p h GLU 8 CO 1.07 0.00 0.57 1.15 -1.00 0.00 0.00 179.01 180.80 2p0p h THR 9 N 0.00 0.96 -0.38 1.13 2.02 -1.99 -0.01 112.91 114.65 2p0p h THR 9 Ca 0.00 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 2p0p h THR 9 Cb 0.13 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 2p0p h THR 9 CO -0.00 0.16 -0.17 -0.09 0.37 0.00 0.00 175.52 175.79 2p0p h ARG 10 N 0.87 0.78 -0.51 6.66 9.65 -1.78 0.08 114.38 130.12 2p0p h ARG 10 Ca 0.41 -0.33 -0.05 0.00 -1.10 0.00 0.00 59.98 58.91 2p0p h ARG 10 Cb 0.43 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 2p0p h ARG 10 CO -0.18 0.95 0.12 0.93 2.80 0.00 0.00 179.97 184.60 2p0p h GLU 11 N 0.58 0.82 0.16 0.20 5.08 -1.53 -0.04 114.58 119.85 2p0p h GLU 11 Ca 0.09 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2p0p h GLU 11 Cb 0.71 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2p0p h GLU 11 CO 0.05 0.79 -0.10 1.25 -1.00 0.00 0.00 179.01 180.00 2p0p h HIS 12 N 0.71 -0.25 -0.03 4.33 -0.00 -0.93 -2.31 115.15 116.68 2p0p h HIS 12 Ca 0.16 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2p0p h HIS 12 Cb 0.34 0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.83 2p0p h HIS 12 CO 0.02 -0.15 0.01 0.00 -0.00 0.00 0.00 177.93 177.81 2p0p h ARG 13 N -0.25 0.05 -0.97 5.26 3.08 -0.76 -1.66 114.38 119.13 2p0p h ARG 13 Ca -0.01 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2p0p h ARG 13 Cb 0.21 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 2p0p h ARG 13 CO 0.02 0.29 0.63 0.97 -1.07 0.00 0.00 179.97 180.81 2p0p h ILE 14 N -0.19 1.25 -0.76 2.04 2.10 -1.04 -0.64 117.51 120.28 2p0p h ILE 14 Ca 0.01 -0.47 -0.01 0.00 1.08 0.00 0.00 64.86 65.47 2p0p h ILE 14 Cb 0.26 -0.17 -0.04 0.00 -1.09 0.00 0.00 36.82 35.79 2p0p h ILE 14 CO 0.00 0.25 0.44 -0.08 -1.08 0.00 0.00 178.15 177.68 2p0p h GLU 15 N 1.32 1.03 -0.43 2.19 4.57 -1.28 -1.80 114.58 120.18 2p0p h GLU 15 Ca 0.35 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2p0p h GLU 15 Cb -0.14 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.24 2p0p h GLU 15 CO -0.08 0.74 0.00 0.25 -1.18 0.00 0.00 179.01 178.75 2p0p n THR 16 N -4.49 0.56 0.00 0.32 -2.24 -0.60 -3.22 114.28 104.62 2p0p n THR 16 Ca 0.07 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2p0p n THR 16 Cb 0.07 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.25 1.75 -0.05 -0.78 -0.58 -0.35 -4.82 120.64 117.05 2p0p n GLU 17 Ca 0.19 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.87 2p0p n GLU 17 Cb 0.54 -0.70 -0.08 0.00 -0.57 0.00 0.00 31.44 30.63 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2p0p n ILE 18 N -1.07 0.72 -1.77 -3.67 2.08 -0.68 -4.77 119.36 110.20 2p0p n ILE 18 Ca 0.00 -0.40 0.04 0.00 0.56 0.00 0.00 62.75 62.95 2p0p n ILE 18 Cb 0.19 -0.79 0.06 0.00 -0.75 0.00 0.00 39.64 38.35 2p0p n ILE 18 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 2p0p n ILE 19 N -2.51 0.72 -0.16 1.39 -5.35 -1.23 -4.60 119.36 107.62 2p0p n ILE 19 Ca -0.19 -1.06 0.11 0.00 -0.27 0.00 0.00 62.75 61.35 2p0p n ILE 19 Cb 0.81 0.30 0.44 0.00 -1.74 0.00 0.00 39.64 39.45 2p0p n ILE 19 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 2p0p h VAL 20 N 4.50 0.90 -0.15 7.28 -1.51 -1.85 -2.52 116.25 122.91 2p0p h VAL 20 Ca -0.03 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 2p0p h VAL 20 Cb 1.32 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 2p0p h VAL 20 CO 0.01 0.10 0.00 -0.67 -1.23 0.00 0.00 177.57 175.78 2p0p n ASP 21 N -4.49 1.96 -4.10 4.19 2.03 -1.26 -4.90 116.55 109.98 2p0p n ASP 21 Ca 0.12 -1.72 -0.21 0.00 0.52 0.00 0.00 54.79 53.50 2p0p n ASP 21 Cb 0.38 -0.09 -0.15 0.00 -0.72 0.00 0.00 41.12 40.55 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 -1.82 1.10 0.00 -1.67 0.00 -0.95 -5.03 121.76 113.38 2p0p s ALA 22 Ca 0.34 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2p0p s ALA 22 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2p0p s ALA 22 CO 0.29 0.25 0.38 -0.85 0.00 0.00 0.00 175.76 175.83 2p0p n GLU 23 N 2.55 0.12 -4.08 0.00 0.28 -1.26 -4.87 120.64 113.37 2p0p n GLU 23 Ca -0.15 -0.40 -0.14 0.00 -0.16 0.00 0.00 57.16 56.31 2p0p n GLU 23 Cb 0.55 -0.53 -0.12 0.00 1.43 0.00 0.00 31.44 32.77 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 -0.05 0.79 0.45 -1.84 -1.08 -1.26 -5.05 116.67 108.64 2p0p s ASP 24 Ca 0.00 -0.44 0.20 0.00 -0.52 0.00 0.00 52.55 51.79 2p0p s ASP 24 Cb 0.00 0.01 1.17 0.00 -1.46 0.00 0.00 42.92 42.65 2p0p s ASP 24 CO 0.00 -0.14 1.89 0.07 0.52 0.00 0.00 175.17 177.51 2p0p h LYS 25 N 4.87 0.29 -0.22 4.34 -0.00 -1.97 0.42 116.57 124.30 2p0p h LYS 25 Ca -0.34 -0.02 -0.10 0.00 -0.00 0.00 0.00 60.65 60.20 2p0p h LYS 25 Cb 1.20 -0.07 -0.00 0.00 -0.00 0.00 0.00 32.23 33.36 2p0p h LYS 25 CO 0.43 0.19 -0.24 0.93 -0.00 0.00 0.00 179.45 180.76 2p0p h GLU 26 N 0.30 0.55 -0.34 0.07 5.08 -1.96 -0.52 114.58 117.76 2p0p h GLU 26 Ca 0.42 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 2p0p h GLU 26 Cb 1.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2p0p h GLU 26 CO -0.12 0.89 -0.36 0.93 -1.00 0.00 0.00 179.01 179.35 2p0p h GLU 27 N 0.24 0.80 0.00 2.33 4.39 -1.62 -2.64 114.58 118.08 2p0p h GLU 27 Ca 0.03 -0.40 -0.11 0.00 0.34 0.00 0.00 59.36 59.23 2p0p h GLU 27 Cb 0.80 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2p0p h GLU 27 CO 0.06 1.03 -0.51 0.00 -1.16 0.00 0.00 179.01 178.42 2p0p h ARG 28 N 0.66 0.00 -0.86 2.33 3.08 -0.92 -0.94 114.38 117.73 2p0p h ARG 28 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2p0p h ARG 28 Cb 0.92 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 2p0p h ARG 28 CO 0.08 0.51 0.50 0.00 -1.07 0.00 0.00 179.97 180.00 2p0p h ALA 29 N 1.49 1.09 -0.54 0.04 0.00 -0.85 -1.21 119.26 119.27 2p0p h ALA 29 Ca -0.01 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2p0p h ALA 29 Cb 0.97 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2p0p h ALA 29 CO 0.07 0.57 -0.12 0.52 0.00 0.00 0.00 179.25 180.29 2p0p h MET 30 N 1.18 1.04 0.03 0.00 2.86 -1.03 0.53 114.93 119.55 2p0p h MET 30 Ca 0.31 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2p0p h MET 30 Cb -0.02 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2p0p h MET 30 CO -0.05 1.08 -0.15 0.78 1.06 0.00 0.00 176.91 179.62 2p0p h GLY 31 N 0.93 -0.23 0.37 8.32 0.00 -0.87 -0.44 103.07 111.15 2p0p h GLY 31 Ca 0.14 0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.69 2p0p h GLY 31 CO 0.05 -0.15 -0.22 1.49 0.00 0.00 0.00 176.54 177.71 2p0p h TRP 32 N -0.27 -0.57 -0.08 5.60 4.06 -1.16 -2.88 115.95 120.64 2p0p h TRP 32 Ca 0.04 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.05 2p0p h TRP 32 Cb 0.32 0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 28.71 2p0p h TRP 32 CO -0.19 -0.30 -0.12 -0.92 -3.56 0.00 0.00 178.44 173.35 2p0p h TYR 33 N -0.29 -0.29 -0.28 0.49 5.03 -0.41 -0.98 116.97 120.23 2p0p h TYR 33 Ca 0.09 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.27 2p0p h TYR 33 Cb 0.42 0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.84 2p0p h TYR 33 CO -0.31 -0.17 -0.41 1.88 -1.32 0.00 0.00 178.16 177.83 2p0p h TYR 34 N -0.16 0.96 -0.38 -3.82 0.05 -1.04 0.35 116.97 112.93 2p0p h TYR 34 Ca 0.07 -0.32 -0.13 0.00 0.05 0.00 0.00 58.73 58.40 2p0p h TYR 34 Cb 0.26 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2p0p h TYR 34 CO -0.22 1.11 -0.29 0.10 -1.05 0.00 0.00 178.16 177.81 2p0p h TYR 35 N 0.53 0.94 0.33 4.88 -0.00 -1.45 -2.01 116.97 120.19 2p0p h TYR 35 Ca 0.03 -0.24 -0.02 0.00 -0.00 0.00 0.00 58.73 58.50 2p0p h TYR 35 Cb 1.00 -0.21 0.00 0.00 -0.00 0.00 0.00 36.73 37.52 2p0p h TYR 35 CO 0.08 1.00 -0.16 1.25 -0.00 0.00 0.00 178.16 180.33 2p0p h LEU 36 N 0.69 -0.37 -0.97 0.10 5.85 -0.94 -1.05 115.31 118.61 2p0p h LEU 36 Ca 0.08 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2p0p h LEU 36 Cb 0.83 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 2p0p h LEU 36 CO 0.07 -0.12 0.64 -0.78 -0.34 0.00 0.00 178.44 177.91 2p0p h ASP 37 N -0.63 1.08 0.29 1.25 3.58 -0.96 0.88 116.42 121.91 2p0p h ASP 37 Ca -0.04 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 2p0p h ASP 37 Cb 0.45 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2p0p h ASP 37 CO 0.07 0.76 -0.16 -0.78 -2.88 0.00 0.00 179.24 176.25 2p0p h ASP 38 N 1.26 0.00 0.26 2.28 3.58 -1.26 -3.13 116.42 119.40 2p0p h ASP 38 Ca 0.37 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.48 2p0p h ASP 38 Cb -0.07 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2p0p h ASP 38 CO -0.10 0.16 -1.76 0.74 -2.88 0.00 0.00 179.24 175.40 2p0p h THR 39 N 0.00 0.90 -2.20 2.25 2.02 0.30 -3.47 112.91 112.72 2p0p h THR 39 Ca -0.00 -2.55 -0.58 0.00 0.77 0.00 0.00 66.41 64.05 2p0p h THR 39 Cb 0.35 2.67 0.03 0.00 -1.74 0.00 0.00 68.15 69.46 2p0p h THR 39 CO 0.02 0.84 1.11 0.18 0.37 0.00 0.00 175.52 178.03 2p0p n LEU 40 N -3.49 3.68 -2.31 2.58 4.77 0.12 -4.48 117.00 117.87 2p0p n LEU 40 Ca -0.24 0.97 -0.16 0.00 -0.03 0.00 0.00 56.01 56.55 2p0p n LEU 40 Cb 1.06 -1.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 2p0p n LEU 40 CO 0.49 0.02 1.84 1.21 -1.33 0.00 0.00 177.39 179.61 2p0p n GLU 41 N 6.43 2.09 -1.92 3.23 4.07 -1.26 -4.95 120.64 128.32 2p0p n GLU 41 Ca 0.21 -1.12 -0.34 0.00 -0.06 0.00 0.00 57.16 55.85 2p0p n GLU 41 Cb 0.33 -2.10 0.03 0.00 -0.06 0.00 0.00 31.44 29.64 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 1.50 2.63 0.60 4.31 -0.12 -1.26 -4.17 117.98 121.47 2p0p s PHE 42 Ca 0.60 1.55 -0.17 0.00 -0.05 0.00 0.00 56.93 58.86 2p0p s PHE 42 Cb 0.26 -3.21 -0.03 0.00 -0.63 0.00 0.00 43.02 39.40 2p0p s PHE 42 CO -0.01 -1.66 1.11 -1.25 -0.05 0.00 0.00 175.22 173.36 2p0p s PRO 43 N -3.82 3.11 0.03 1.99 0.04 -1.26 -5.02 135.00 130.07 2p0p s PRO 43 Ca 0.69 1.45 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2p0p s PRO 43 Cb -0.22 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 2p0p s PRO 43 CO 0.37 -1.01 0.02 1.97 0.04 0.00 0.00 177.00 178.39 2p0p n PHE 44 N -1.88 -0.11 -4.32 0.56 -1.74 -0.40 -4.99 117.46 104.58 2p0p n PHE 44 Ca 0.11 -0.22 -0.17 0.00 -0.56 0.00 0.00 57.45 56.61 2p0p n PHE 44 Cb 0.52 0.03 -0.10 0.00 1.52 0.00 0.00 39.48 41.44 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 -2.10 1.33 0.22 3.97 0.23 -1.26 -0.31 119.30 121.38 2p0p s MET 45 Ca 0.03 -1.68 -0.15 0.00 -1.03 0.00 0.00 55.69 52.86 2p0p s MET 45 Cb 0.00 -0.56 0.06 0.00 -1.53 0.00 0.00 34.83 32.80 2p0p s MET 45 CO 0.02 -0.12 0.76 0.41 -2.03 0.00 0.00 175.02 174.06 2p0p n GLY 46 N -0.41 0.91 3.18 3.16 0.00 -0.00 -0.94 105.19 111.09 2p0p n GLY 46 Ca -0.05 -1.15 -0.33 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 3.11 -0.52 1.61 2.47 0.07 -0.99 119.74 123.44 2p0p s LYS 47 Ca 0.16 -0.78 -0.28 0.00 -1.56 0.00 0.00 55.97 53.51 2p0p s LYS 47 Cb -0.03 -2.66 0.02 0.00 -1.46 0.00 0.00 37.83 33.70 2p0p s LYS 47 CO 0.07 -0.16 1.27 -0.46 0.16 0.00 0.00 175.35 176.22 2p0p s TRP 48 N 1.23 2.56 -0.56 4.03 -0.11 0.35 -1.30 118.94 125.13 2p0p s TRP 48 Ca 0.03 0.56 -0.07 0.00 1.22 0.00 0.00 56.10 57.84 2p0p s TRP 48 Cb -0.14 -4.44 -0.18 0.00 -1.50 0.00 0.00 33.47 27.22 2p0p s TRP 48 CO -0.08 -1.66 3.33 1.63 -4.62 0.00 0.00 176.95 175.55 2p0p n LYS 49 N 8.26 2.63 -1.73 5.86 4.76 -0.81 -1.46 118.16 135.67 2p0p n LYS 49 Ca 0.12 -1.54 -0.42 0.00 -2.87 0.00 0.00 58.31 53.60 2p0p n LYS 49 Cb 0.49 -2.27 -0.02 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 2.68 2.67 -0.97 1.97 4.81 -0.18 -4.72 118.16 124.42 2p0p n LYS 50 Ca 0.55 0.96 -0.13 0.00 -0.87 0.00 0.00 58.31 58.81 2p0p n LYS 50 Cb 0.67 -2.75 -0.16 0.00 0.02 0.00 0.00 35.03 32.81 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 2.78 2.00 0.00 1.64 4.81 -1.26 -0.51 118.16 127.61 2p0p n LYS 51 Ca 0.11 -1.02 0.00 0.00 -0.87 0.00 0.00 58.31 56.54 2p0p n LYS 51 Cb 0.35 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.39 2p0p n LYS 51 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2p0p n SER 52 N 2.58 0.00 -2.33 3.14 7.64 -1.06 -0.83 113.62 122.76 2p0p n SER 52 Ca 0.43 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 60.15 2p0p n SER 52 Cb 0.85 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 64.08 2p0p n SER 52 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2p0p n ARG 53 N 0.00 2.92 -3.58 1.43 3.00 -1.26 -4.90 116.66 114.27 2p0p n ARG 53 Ca 0.00 -3.94 -0.19 0.00 -0.01 0.00 0.00 57.85 53.70 2p0p n ARG 53 Cb 0.00 -2.03 0.06 0.00 0.00 0.00 0.00 32.46 30.49 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 -0.65 -5.57 -1.15 5.56 5.02 -0.01 -4.95 118.16 116.43 2p0p n LYS 54 Ca 0.31 0.72 -0.02 0.00 -2.02 0.00 0.00 58.31 57.29 2p0p n LYS 54 Cb 0.89 -5.47 0.14 0.00 -0.02 0.00 0.00 35.03 30.57 2p0p n LYS 54 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2p0p n THR 55 N -4.20 2.03 -2.66 -0.18 -2.24 -1.25 -4.97 114.28 100.81 2p0p n THR 55 Ca -0.29 -3.26 -0.16 0.00 -2.27 0.00 0.00 64.05 58.07 2p0p n THR 55 Cb 0.67 -0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2p0p n THR 55 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2p0p n SER 56 N -0.83 -4.32 -3.93 3.42 7.64 -1.26 -4.93 113.62 109.41 2p0p n SER 56 Ca 0.24 0.02 -0.09 0.00 1.01 0.00 0.00 58.87 60.04 2p0p n SER 56 Cb 0.81 -3.62 -0.09 0.00 -1.01 0.00 0.00 64.21 60.30 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 -2.78 0.13 0.02 0.44 2.01 -1.26 -5.12 115.64 109.08 2p0p s THR 57 Ca 0.10 -1.06 0.08 0.00 0.31 0.00 0.00 61.69 61.12 2p0p s THR 57 Cb -0.05 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 2p0p s THR 57 CO 0.13 -0.59 -0.24 -0.63 -0.69 0.00 0.00 174.62 172.60 2p0p s ILE 58 N -2.46 1.89 0.13 1.82 1.01 -1.26 -2.58 121.20 119.75 2p0p s ILE 58 Ca -0.06 -1.17 0.08 0.00 0.00 0.00 0.00 60.65 59.50 2p0p s ILE 58 Cb -0.02 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2p0p s ILE 58 CO -0.04 0.39 -0.12 -1.61 0.00 0.00 0.00 174.94 173.56 2p0p s GLU 59 N -0.93 1.99 -0.47 2.79 0.41 0.33 -4.85 118.70 117.98 2p0p s GLU 59 Ca 0.09 -1.15 0.03 0.00 -0.41 0.00 0.00 54.97 53.54 2p0p s GLU 59 Cb -0.09 -2.20 0.14 0.00 -1.78 0.00 0.00 34.13 30.19 2p0p s GLU 59 CO 0.01 0.48 0.26 -1.21 -0.49 0.00 0.00 175.26 174.30 2p0p s GLU 60 N -2.37 1.51 -0.29 1.61 2.02 -1.26 -1.01 118.70 118.92 2p0p s GLU 60 Ca 0.21 -2.23 -0.17 0.00 0.02 0.00 0.00 54.97 52.81 2p0p s GLU 60 Cb -0.10 -2.63 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 2p0p s GLU 60 CO 0.13 -1.16 0.45 0.21 0.02 0.00 0.00 175.26 174.91 2p0p s LYS 61 N 0.10 3.90 0.18 1.61 2.20 -0.53 -4.91 119.74 122.29 2p0p s LYS 61 Ca 0.18 0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 2p0p s LYS 61 Cb -0.23 -3.70 -0.08 0.00 -1.51 0.00 0.00 37.83 32.30 2p0p s LYS 61 CO -0.01 -0.41 1.32 0.99 -0.36 0.00 0.00 175.35 176.88 2p0p s THR 62 N 2.22 3.25 0.03 3.43 2.01 -1.26 -0.50 115.64 124.83 2p0p s THR 62 Ca 0.18 1.00 -0.02 0.00 0.31 0.00 0.00 61.69 63.15 2p0p s THR 62 Cb -0.16 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2p0p s THR 62 CO 0.11 0.14 0.02 0.68 -0.69 0.00 0.00 174.62 174.87 2p0p s VAL 63 N 0.31 0.14 -0.15 3.82 -7.23 -0.16 -1.25 120.40 115.88 2p0p s VAL 63 Ca 0.58 -1.17 -0.06 0.00 -1.81 0.00 0.00 61.98 59.52 2p0p s VAL 63 Cb -0.36 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2p0p s VAL 63 CO 0.37 -0.65 0.05 -0.70 -0.31 0.00 0.00 175.10 173.86 2p0p s GLU 64 N -2.41 3.68 -0.32 4.82 2.12 -0.29 -0.82 118.70 125.47 2p0p s GLU 64 Ca -0.07 -0.35 -0.06 0.00 0.36 0.00 0.00 54.97 54.85 2p0p s GLU 64 Cb -0.03 -3.09 0.03 0.00 0.26 0.00 0.00 34.13 31.30 2p0p s GLU 64 CO -0.04 0.42 0.09 0.08 -0.54 0.00 0.00 175.26 175.26 2p0p s VAL 65 N -0.05 3.77 0.07 3.70 1.01 0.57 -0.44 120.40 129.04 2p0p s VAL 65 Ca 0.06 -1.03 0.13 0.00 0.00 0.00 0.00 61.98 61.14 2p0p s VAL 65 Cb -0.12 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 2p0p s VAL 65 CO 0.01 -0.10 1.51 -0.07 0.00 0.00 0.00 175.10 176.45 2p0p h LEU 66 N 8.21 0.00 0.00 3.92 -0.00 -1.36 -1.04 115.31 125.04 2p0p h LEU 66 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2p0p h LEU 66 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 2p0p h LEU 66 CO 0.60 0.61 0.00 0.61 -0.00 0.00 0.00 178.44 180.26 2p0p n GLY 67 N 0.82 -0.23 3.74 0.83 0.00 -1.25 -4.13 105.19 104.97 2p0p n GLY 67 Ca 0.00 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.74 2.64 1.15 1.61 -1.94 -1.26 -1.00 119.30 118.76 2p0p s MET 68 Ca 0.00 1.81 -0.16 0.00 -1.71 0.00 0.00 55.69 55.62 2p0p s MET 68 Cb 0.00 -1.89 0.26 0.00 2.01 0.00 0.00 34.83 35.21 2p0p s MET 68 CO 0.00 -1.46 1.07 0.00 -0.01 0.00 0.00 175.02 174.62 2p0p s ALA 69 N -1.74 0.40 0.42 3.03 0.00 -0.28 -4.41 121.76 119.18 2p0p s ALA 69 Ca 0.76 -0.62 -0.24 0.00 0.00 0.00 0.00 51.96 51.86 2p0p s ALA 69 Cb -0.30 -3.02 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 2p0p s ALA 69 CO 0.38 -3.49 0.91 -2.30 0.00 0.00 0.00 175.76 171.27 2p0p n PRO 70 N -4.68 1.16 0.15 0.00 -0.02 -1.26 -4.85 135.00 125.49 2p0p n PRO 70 Ca 0.09 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.12 2p0p n PRO 70 Cb 0.58 -1.92 0.67 0.00 -0.02 0.00 0.00 33.50 32.81 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 1.36 0.00 0.08 2.55 2.03 -1.94 -1.39 116.42 119.10 2p0p h ASP 71 Ca -0.43 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.83 2p0p h ASP 71 Cb 1.35 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.84 2p0p h ASP 71 CO 0.56 0.00 -0.13 -0.78 -1.03 0.00 0.00 179.24 177.85 2p0p h ASP 72 N 0.00 0.12 -0.00 4.15 3.58 -2.02 -1.83 116.42 120.42 2p0p h ASP 72 Ca 0.11 -0.02 -0.20 0.00 0.42 0.00 0.00 57.03 57.34 2p0p h ASP 72 Cb 0.43 -0.03 0.02 0.00 1.72 0.00 0.00 39.33 41.46 2p0p h ASP 72 CO -0.00 0.27 -0.77 -0.33 -2.88 0.00 0.00 179.24 175.53 2p0p h GLU 73 N 0.13 0.53 -1.00 0.28 4.39 -1.62 -3.36 114.58 113.93 2p0p h GLU 73 Ca 0.03 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.16 2p0p h GLU 73 Cb 0.32 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2p0p h GLU 73 CO 0.02 1.19 0.00 0.00 -1.16 0.00 0.00 179.01 179.06 2p0p n LEU 75 N 0.24 0.00 0.00 0.00 7.99 -1.16 -4.12 117.00 119.95 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 0.36 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 2p0p n LEU 75 CO 0.00 -0.22 -0.04 2.29 -1.51 0.00 0.00 177.39 177.92 2p0p n LYS 76 N -1.43 0.33 -3.64 3.23 2.85 -1.25 -4.57 118.16 113.67 2p0p n LYS 76 Ca 0.05 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.16 2p0p n LYS 76 Cb 0.15 -0.54 -0.07 0.00 -0.65 0.00 0.00 35.03 33.93 2p0p n LYS 76 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2p0p s ASP 77 N -1.14 -0.41 -1.22 -5.58 2.15 -1.26 -5.02 116.67 104.20 2p0p s ASP 77 Ca 0.00 0.32 -0.19 0.00 0.43 0.00 0.00 52.55 53.11 2p0p s ASP 77 Cb 0.00 0.43 0.07 0.00 -0.30 0.00 0.00 42.92 43.12 2p0p s ASP 77 CO 0.00 -0.57 1.66 -0.04 -0.17 0.00 0.00 175.17 176.05 2p0p s MET 78 N -1.56 3.88 0.49 4.34 -1.94 -1.26 -4.25 119.30 118.99 2p0p s MET 78 Ca -0.11 -1.77 -0.19 0.00 -1.71 0.00 0.00 55.69 51.92 2p0p s MET 78 Cb -0.02 -5.48 -0.09 0.00 2.01 0.00 0.00 34.83 31.25 2p0p s MET 78 CO 0.05 -2.24 0.99 0.71 -0.01 0.00 0.00 175.02 174.52 2p0p s TYR 79 N 4.39 3.24 0.02 -0.03 2.02 -1.26 -0.99 117.35 124.73 2p0p s TYR 79 Ca 0.52 1.55 0.02 0.00 -0.37 0.00 0.00 57.07 58.79 2p0p s TYR 79 Cb 0.03 -2.90 -0.01 0.00 -0.40 0.00 0.00 41.96 38.67 2p0p s TYR 79 CO 0.03 -0.48 -0.08 0.14 -1.57 0.00 0.00 175.55 173.59 2p0p s VAL 80 N -2.30 0.58 0.25 0.71 -7.23 0.24 -1.13 120.40 111.52 2p0p s VAL 80 Ca 0.63 -0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 59.85 2p0p s VAL 80 Cb -0.12 -0.56 -0.09 0.00 0.56 0.00 0.00 36.38 36.18 2p0p s VAL 80 CO 0.23 -0.07 1.03 -1.61 -0.31 0.00 0.00 175.10 174.37 2p0p s GLU 81 N -0.79 4.73 -0.07 4.82 2.02 -0.17 -0.81 118.70 128.42 2p0p s GLU 81 Ca -0.02 1.65 -0.07 0.00 0.02 0.00 0.00 54.97 56.55 2p0p s GLU 81 Cb -0.06 -3.24 0.02 0.00 0.10 0.00 0.00 34.13 30.95 2p0p s GLU 81 CO 0.00 0.33 0.19 0.54 0.02 0.00 0.00 175.26 176.34 2p0p s VAL 82 N -1.03 -0.00 -0.06 2.63 0.11 -0.31 -1.05 120.40 120.69 2p0p s VAL 82 Ca 0.44 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.54 2p0p s VAL 82 Cb -0.29 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 2p0p s VAL 82 CO 0.36 0.00 -0.18 0.00 -3.33 0.00 0.00 175.10 171.96 2p0p s ALA 83 N 0.19 2.48 -1.35 1.54 0.00 0.42 -0.38 121.76 124.65 2p0p s ALA 83 Ca -0.01 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 2p0p s ALA 83 Cb -0.02 -0.88 0.11 0.00 0.00 0.00 0.00 23.12 22.34 2p0p s ALA 83 CO -0.00 0.48 2.07 -3.47 0.00 0.00 0.00 175.76 174.84 2p0p n ASP 84 N 2.64 5.13 0.23 0.00 2.03 -1.19 -1.14 116.55 124.25 2p0p n ASP 84 Ca -0.17 -3.01 0.15 0.00 0.52 0.00 0.00 54.79 52.28 2p0p n ASP 84 Cb 0.52 -1.52 0.80 0.00 -0.72 0.00 0.00 41.12 40.20 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 3.69 0.00 -0.00 5.18 3.07 -1.85 0.21 117.51 127.80 2p0p h ILE 85 Ca 0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.90 2p0p h ILE 85 Cb 0.59 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 2p0p h ILE 85 CO 1.70 0.00 -0.09 0.61 -1.05 0.00 0.00 178.15 179.32 2p0p n GLY 86 N -1.22 -1.02 0.00 0.16 0.00 -0.38 -4.70 105.19 98.03 2p0p n GLY 86 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.28 -0.61 0.36 -0.02 0.00 -0.21 -4.89 105.19 101.11 2p0p n GLY 87 Ca 0.14 0.37 0.03 0.00 0.00 0.00 0.00 46.02 46.56 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 1.04 0.00 1.61 1.79 -1.73 -3.46 116.57 115.82 2p0p h LYS 88 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2p0p h LYS 88 Cb 0.00 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.42 2p0p h LYS 88 CO 0.00 0.69 0.00 -3.47 -1.08 0.00 0.00 179.45 175.59 2p0p n ASP 89 N -4.46 0.00 -0.06 0.86 2.03 0.58 -4.31 116.55 111.19 2p0p n ASP 89 Ca 0.12 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.47 2p0p n ASP 89 Cb 0.14 -0.27 0.05 0.00 -0.72 0.00 0.00 41.12 40.32 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 1.81 -4.20 1.67 2.03 -1.26 -4.76 116.55 111.83 2p0p n ASP 90 Ca 0.00 -2.30 -0.12 0.00 0.52 0.00 0.00 54.79 52.89 2p0p n ASP 90 Cb 0.00 -0.17 -0.10 0.00 -0.72 0.00 0.00 41.12 40.13 2p0p n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2p0p s ASP 91 N -1.59 1.26 0.03 1.67 2.15 -1.26 -5.12 116.67 113.81 2p0p s ASP 91 Ca 0.12 -1.06 0.00 0.00 0.43 0.00 0.00 52.55 52.04 2p0p s ASP 91 Cb 0.10 0.09 -0.02 0.00 -0.30 0.00 0.00 42.92 42.78 2p0p s ASP 91 CO 0.01 -0.48 -0.04 0.54 -0.17 0.00 0.00 175.17 175.04 2p0p s VAL 92 N -3.59 0.18 0.00 1.11 0.11 -1.26 -3.19 120.40 113.75 2p0p s VAL 92 Ca 0.16 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 2p0p s VAL 92 Cb 0.05 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 2p0p s VAL 92 CO -0.01 -0.55 0.00 -1.22 -3.33 0.00 0.00 175.10 169.99 2p0p n TYR 93 N 1.40 -0.14 -4.57 1.54 4.01 0.49 -5.00 117.16 114.89 2p0p n TYR 93 Ca -0.23 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.25 2p0p n TYR 93 Cb 0.56 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.45 2p0p n TYR 93 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p0p s THR 94 N -2.10 1.90 0.11 -0.72 2.01 -1.26 -1.16 115.64 114.42 2p0p s THR 94 Ca 0.00 -1.44 0.02 0.00 0.31 0.00 0.00 61.69 60.58 2p0p s THR 94 Cb 0.00 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 2p0p s THR 94 CO 0.00 0.16 -0.05 0.00 -0.69 0.00 0.00 174.62 174.04 2p0p s ALA 95 N -0.94 1.02 -0.07 7.40 0.00 0.01 -4.90 121.76 124.27 2p0p s ALA 95 Ca 0.09 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.37 2p0p s ALA 95 Cb -0.10 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 2p0p s ALA 95 CO 0.03 -0.26 1.01 0.15 0.00 0.00 0.00 175.76 176.69 2p0p s LYS 96 N -3.86 4.46 0.46 0.00 3.01 -1.26 -0.59 119.74 121.96 2p0p s LYS 96 Ca 0.14 1.41 0.13 0.00 -1.01 0.00 0.00 55.97 56.65 2p0p s LYS 96 Cb 0.06 -3.52 1.08 0.00 -1.01 0.00 0.00 37.83 34.44 2p0p s LYS 96 CO -0.03 -0.25 2.06 1.25 0.51 0.00 0.00 175.35 178.89 2p0p h LEU 97 N 7.68 0.26 -0.75 3.17 5.85 -1.39 -1.03 115.31 129.10 2p0p h LEU 97 Ca -0.34 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2p0p h LEU 97 Cb 1.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2p0p h LEU 97 CO 0.83 0.17 0.25 -1.20 -0.34 0.00 0.00 178.44 178.15 2p0p n SER 98 N -4.48 0.29 -0.06 1.25 7.64 -1.26 -1.78 113.62 115.22 2p0p n SER 98 Ca 0.04 0.53 0.02 0.00 1.01 0.00 0.00 58.87 60.47 2p0p n SER 98 Cb 0.22 -0.50 0.03 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.93 1.33 -4.45 6.43 2.03 -0.39 -5.04 116.55 114.53 2p0p n ASP 99 Ca -0.01 -1.93 -0.25 0.00 0.52 0.00 0.00 54.79 53.12 2p0p n ASP 99 Cb 0.27 -0.10 -0.11 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.97 2.42 -0.05 5.18 1.01 -0.73 -1.92 121.20 126.14 2p0p s ILE 100 Ca 0.06 -2.26 0.05 0.00 0.00 0.00 0.00 60.65 58.49 2p0p s ILE 100 Cb 0.05 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 2p0p s ILE 100 CO 0.01 -0.29 -0.19 -0.70 0.00 0.00 0.00 174.94 173.77 2p0p s GLU 101 N -3.19 1.96 0.20 2.79 2.56 -0.42 -4.93 118.70 117.68 2p0p s GLU 101 Ca 0.26 -0.67 -0.23 0.00 0.00 0.00 0.00 54.97 54.33 2p0p s GLU 101 Cb -0.06 -1.68 -0.08 0.00 2.00 0.00 0.00 34.13 34.30 2p0p s GLU 101 CO 0.13 0.26 0.77 0.00 -0.56 0.00 0.00 175.26 175.86 2p0p s ALA 102 N 0.04 3.42 -0.01 6.30 0.00 -1.26 -0.75 121.76 129.49 2p0p s ALA 102 Ca -0.05 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.27 2p0p s ALA 102 Cb -0.12 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 2p0p s ALA 102 CO 0.03 0.29 -0.16 0.42 0.00 0.00 0.00 175.76 176.35 2p0p s ILE 103 N -1.31 1.22 -1.38 0.00 1.01 -0.12 -4.85 121.20 115.77 2p0p s ILE 103 Ca 0.39 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 2p0p s ILE 103 Cb -0.21 -1.02 0.05 0.00 0.01 0.00 0.00 42.46 41.29 2p0p s ILE 103 CO 0.24 0.33 0.53 -0.67 0.00 0.00 0.00 174.94 175.37 2p0p n ASP 104 N 2.64 -4.59 -4.89 3.58 2.03 -1.26 -3.99 116.55 110.07 2p0p n ASP 104 Ca -0.15 -0.34 -0.20 0.00 0.52 0.00 0.00 54.79 54.62 2p0p n ASP 104 Cb 0.55 -3.76 -0.03 0.00 -0.72 0.00 0.00 41.12 37.16 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 -3.02 3.05 0.74 5.18 0.11 -1.26 -4.89 120.40 120.32 2p0p s VAL 105 Ca 0.36 -1.30 -0.13 0.00 -2.93 0.00 0.00 61.98 57.97 2p0p s VAL 105 Cb -0.18 -3.08 0.05 0.00 -1.53 0.00 0.00 36.38 31.63 2p0p s VAL 105 CO 0.44 -0.07 1.13 1.51 -3.33 0.00 0.00 175.10 174.79 2p0p s ASP 106 N -4.11 4.41 0.25 3.54 -4.77 -1.26 -4.79 116.67 109.94 2p0p s ASP 106 Ca 0.46 2.07 -0.06 0.00 -3.30 0.00 0.00 52.55 51.73 2p0p s ASP 106 Cb -0.05 -2.56 0.30 0.00 -1.09 0.00 0.00 42.92 39.53 2p0p s ASP 106 CO 0.28 -2.10 1.89 -0.78 0.70 0.00 0.00 175.17 175.16 2p0p h ASP 107 N -0.62 1.01 -0.37 2.11 3.58 -1.99 -0.17 116.42 119.98 2p0p h ASP 107 Ca -0.46 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 56.84 2p0p h ASP 107 Cb 1.26 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2p0p h ASP 107 CO 0.50 0.69 -0.34 -0.78 -2.88 0.00 0.00 179.24 176.44 2p0p h ASP 108 N 1.17 0.94 0.10 2.28 3.58 -1.94 0.24 116.42 122.79 2p0p h ASP 108 Ca 0.37 -0.46 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 2p0p h ASP 108 Cb 0.01 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.80 2p0p h ASP 108 CO -0.12 1.20 -0.05 0.74 -2.88 0.00 0.00 179.24 178.13 2p0p h THR 109 N 0.68 0.92 -0.49 2.25 2.02 -1.72 -1.05 112.91 115.53 2p0p h THR 109 Ca 0.06 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2p0p h THR 109 Cb 0.93 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 2p0p h THR 109 CO 0.09 0.02 0.32 -0.61 0.37 0.00 0.00 175.52 175.70 2p0p h GLN 110 N -0.17 0.64 -0.52 6.66 -0.00 -0.84 -1.86 115.11 119.01 2p0p h GLN 110 Ca -0.01 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.53 2p0p h GLN 110 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.45 2p0p h GLN 110 CO 0.02 0.43 0.05 0.93 0.00 0.00 0.00 178.83 180.27 2p0p h GLU 111 N 0.66 0.85 -0.48 1.69 4.39 -0.86 0.93 114.58 121.75 2p0p h GLU 111 Ca 0.18 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 2p0p h GLU 111 Cb -0.06 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2p0p h GLU 111 CO -0.04 0.81 0.18 0.00 -1.16 0.00 0.00 179.01 178.80 2p0p h ALA 112 N 1.26 0.63 -0.16 3.43 0.00 -0.76 0.21 119.26 123.87 2p0p h ALA 112 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2p0p h ALA 112 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2p0p h ALA 112 CO 0.01 0.25 -0.01 0.82 0.00 0.00 0.00 179.25 180.32 2p0p h ILE 113 N 0.64 1.27 -0.59 0.00 2.04 -1.00 -1.69 117.51 118.18 2p0p h ILE 113 Ca 0.16 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2p0p h ILE 113 Cb 0.22 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2p0p h ILE 113 CO -0.01 0.27 0.37 0.00 0.00 0.00 0.00 178.15 178.78 2p0p h ALA 114 N 0.75 0.75 -0.12 1.87 0.00 -0.70 -1.54 119.26 120.27 2p0p h ALA 114 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2p0p h ALA 114 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2p0p h ALA 114 CO 0.01 0.12 -0.40 0.22 0.00 0.00 0.00 179.25 179.21 2p0p h ASP 115 N 0.74 0.27 -0.30 0.00 3.58 -0.87 0.12 116.42 119.97 2p0p h ASP 115 Ca 0.23 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2p0p h ASP 115 Cb -0.02 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2p0p h ASP 115 CO -0.08 0.65 0.14 -0.25 -2.88 0.00 0.00 179.24 176.82 2p0p h TRP 116 N 0.22 0.43 -0.32 0.28 2.91 -0.87 0.16 115.95 118.76 2p0p h TRP 116 Ca 0.02 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 2p0p h TRP 116 Cb 0.80 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 2p0p h TRP 116 CO 0.02 0.39 0.14 -0.07 -1.03 0.00 0.00 178.44 177.89 2p0p h LEU 117 N 0.34 0.43 -0.43 0.65 3.38 -0.84 -1.04 115.31 117.80 2p0p h LEU 117 Ca 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2p0p h LEU 117 Cb 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2p0p h LEU 117 CO -0.01 0.46 0.20 1.88 0.09 0.00 0.00 178.44 181.06 2p0p h TYR 118 N 0.37 0.62 -0.94 1.13 0.05 -0.71 -2.39 116.97 115.11 2p0p h TYR 118 Ca 0.11 -0.03 0.10 0.00 0.05 0.00 0.00 58.73 58.95 2p0p h TYR 118 Cb 0.15 -0.19 -0.08 0.00 1.01 0.00 0.00 36.73 37.62 2p0p h TYR 118 CO -0.01 0.51 0.58 2.35 -1.05 0.00 0.00 178.16 180.54 2p0p h TRP 119 N 0.56 1.06 -0.88 4.88 2.91 -0.39 0.22 115.95 124.30 2p0p h TRP 119 Ca 0.15 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.20 2p0p h TRP 119 Cb 0.12 -0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 28.40 2p0p h TRP 119 CO -0.01 0.46 0.56 1.25 -1.03 0.00 0.00 178.44 179.67 2p0p h LEU 120 N 0.97 1.04 -0.17 0.65 5.85 -0.69 0.21 115.31 123.17 2p0p h LEU 120 Ca 0.44 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.92 2p0p h LEU 120 Cb 0.36 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2p0p h LEU 120 CO -0.23 0.78 -0.94 0.00 -0.34 0.00 0.00 178.44 177.70 2p0p h ALA 121 N 1.40 0.45 -0.22 1.25 0.00 -0.97 -2.89 119.26 118.30 2p0p h ALA 121 Ca 0.32 -0.81 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2p0p h ALA 121 Cb -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2p0p h ALA 121 CO -0.06 1.06 -0.06 0.00 0.00 0.00 0.00 179.25 180.18 2p0p h ARG 122 N 0.04 0.33 0.00 0.00 3.08 0.25 -1.61 114.38 116.47 2p0p h ARG 122 Ca -0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2p0p h ARG 122 Cb 1.63 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.63 2p0p h ARG 122 CO 0.13 0.42 0.00 0.41 -1.07 0.00 0.00 179.97 179.86 2p0p n GLY 123 N -0.93 2.31 2.48 0.04 0.00 -0.02 -3.59 105.19 105.49 2p0p n GLY 123 Ca 0.00 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 1.95 0.08 1.61 9.36 -1.10 -4.58 117.16 124.49 2p0p n TYR 124 Ca 0.00 -2.53 -0.04 0.00 3.32 0.00 0.00 57.90 58.64 2p0p n TYR 124 Cb 0.00 -2.10 0.16 0.00 -0.63 0.00 0.00 39.34 36.77 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 5.72 0.27 0.00 2.98 1.57 -1.91 -3.52 116.57 121.67 2p0p h LYS 125 Ca 0.68 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2p0p h LYS 125 Cb 0.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2p0p h LYS 125 CO 1.64 0.72 0.00 1.97 -0.57 0.00 0.00 179.45 183.21