#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zup h TRP 15 N 0.00 0.00 -0.00 0.00 4.06 -1.93 0.18 115.95 118.26 2zup h TRP 15 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2zup h TRP 15 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2zup h TRP 15 CO 0.00 0.00 -0.00 -0.07 -3.56 0.00 0.00 178.44 174.81 2zup h LEU 16 N 0.00 0.01 -0.08 -4.49 4.07 -2.01 0.41 115.31 113.22 2zup h LEU 16 Ca 0.69 -0.53 0.04 0.00 0.08 0.00 0.00 57.88 58.16 2zup h LEU 16 Cb 3.13 -0.00 -0.05 0.00 1.08 0.00 0.00 40.66 44.82 2zup h LEU 16 CO -0.01 0.53 -0.22 0.25 -1.08 0.00 0.00 178.44 177.92 2zup h LEU 17 N -0.52 -0.65 -0.40 1.67 5.85 -1.07 -2.80 115.31 117.38 2zup h LEU 17 Ca 0.00 0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.65 2zup h LEU 17 Cb 0.53 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2zup h LEU 17 CO 0.00 -0.27 -0.80 0.24 -0.34 0.00 0.00 178.44 177.27 2zup h MET 18 N -0.30 0.02 -0.30 1.25 2.86 -1.39 0.85 114.93 117.92 2zup h MET 18 Ca 0.09 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2zup h MET 18 Cb 0.42 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2zup h MET 18 CO -0.26 0.81 -0.02 0.00 1.06 0.00 0.00 176.91 178.51 2zup h ALA 19 N 1.18 1.41 -0.23 6.32 0.00 -0.16 3.44 119.26 131.22 2zup h ALA 19 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2zup h ALA 19 Cb 1.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2zup h ALA 19 CO 0.11 0.41 0.00 1.19 0.00 0.00 0.00 179.25 180.96 2zup n PHE 20 N -4.29 0.28 0.02 0.00 0.99 -1.06 0.68 117.46 114.08 2zup n PHE 20 Ca 0.01 -0.16 0.10 0.00 -0.00 0.00 0.00 57.45 57.40 2zup n PHE 20 Cb 0.24 -0.00 -0.12 0.00 -1.00 0.00 0.00 39.48 38.60 2zup n PHE 20 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 2zup n THR 21 N 1.29 0.27 -0.04 4.37 -1.04 0.29 -2.60 114.28 116.81 2zup n THR 21 Ca 0.16 -0.53 -0.00 0.00 -2.04 0.00 0.00 64.05 61.63 2zup n THR 21 Cb 0.55 -0.14 -0.00 0.00 -1.82 0.00 0.00 70.33 68.92 2zup n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2zup h ALA 22 N 1.95 0.00 -0.20 2.41 0.00 0.64 2.19 119.26 126.25 2zup h ALA 22 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2zup h ALA 22 Cb 1.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2zup h ALA 22 CO 0.00 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2zup n LEU 23 N -4.34 1.18 0.00 0.00 4.32 0.21 -3.57 117.00 114.80 2zup n LEU 23 Ca -0.01 -0.57 0.00 0.00 -0.02 0.00 0.00 56.01 55.42 2zup n LEU 23 Cb 0.02 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 2zup n LEU 23 CO 0.01 0.28 -0.19 0.00 -1.22 0.00 0.00 177.39 176.27 2zup n ALA 24 N 0.11 1.67 -0.07 -1.18 0.00 -1.07 -4.93 120.51 115.04 2zup n ALA 24 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 2zup n ALA 24 Cb 0.20 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 2zup n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2zup n LEU 25 N -1.46 2.88 -0.40 0.00 4.32 -0.86 -4.57 117.00 116.91 2zup n LEU 25 Ca 0.00 -0.06 -0.08 0.00 -0.02 0.00 0.00 56.01 55.85 2zup n LEU 25 Cb 0.19 -0.49 -0.06 0.00 -1.62 0.00 0.00 43.42 41.45 2zup n LEU 25 CO 0.00 0.71 0.50 -0.62 -1.22 0.00 0.00 177.39 176.76 2zup n GLU 26 N -2.95 -0.37 0.00 3.23 1.02 0.73 -2.69 120.64 119.61 2zup n GLU 26 Ca -0.25 1.49 0.09 0.00 -0.02 0.00 0.00 57.16 58.47 2zup n GLU 26 Cb 0.76 -2.19 0.05 0.00 -0.02 0.00 0.00 31.44 30.04 2zup n GLU 26 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2zup n LEU 27 N -5.29 2.26 0.26 -4.62 4.32 -1.26 -2.95 117.00 109.72 2zup n LEU 27 Ca 0.04 -0.92 0.09 0.00 -0.02 0.00 0.00 56.01 55.20 2zup n LEU 27 Cb 0.30 0.00 0.66 0.00 -1.62 0.00 0.00 43.42 42.76 2zup n LEU 27 CO -0.15 0.40 1.06 0.74 -1.22 0.00 0.00 177.39 178.22 2zup h THR 28 N 3.05 0.96 0.00 -5.08 2.02 -1.75 0.32 112.91 112.43 2zup h THR 28 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2zup h THR 28 Cb 0.71 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2zup h THR 28 CO 0.00 0.02 0.00 0.00 0.37 0.00 0.00 175.52 175.91 2zup n ALA 29 N -2.51 0.00 -0.20 6.16 0.00 -1.15 -3.51 120.51 119.30 2zup n ALA 29 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2zup n ALA 29 Cb 0.10 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.70 2zup n ALA 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2zup n LEU 30 N 0.00 -0.10 0.03 0.00 7.94 -1.14 -0.85 117.00 122.88 2zup n LEU 30 Ca 0.00 0.97 -0.01 0.00 -1.11 0.00 0.00 56.01 55.86 2zup n LEU 30 Cb 0.00 -0.34 -0.01 0.00 0.53 0.00 0.00 43.42 43.60 2zup n LEU 30 CO 0.00 -0.97 0.20 -0.50 -1.11 0.00 0.00 177.39 175.01 2zup h TRP 31 N 0.00 -0.08 0.00 1.96 -0.00 -0.61 -3.33 115.95 113.89 2zup h TRP 31 Ca 0.33 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.21 2zup h TRP 31 Cb 0.64 0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 29.83 2zup h TRP 31 CO -0.33 -0.05 0.43 1.19 -0.00 0.00 0.00 178.44 179.68 2zup n PHE 32 N -2.48 0.00 0.14 0.49 3.01 -0.03 0.83 117.46 119.42 2zup n PHE 32 Ca -0.01 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2zup n PHE 32 Cb 0.03 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 2zup n PHE 32 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2zup n GLN 33 N 2.92 0.00 0.17 -1.08 6.02 -1.26 -4.77 117.38 119.37 2zup n GLN 33 Ca 0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.14 2zup n GLN 33 Cb 0.05 0.00 0.59 0.00 1.02 0.00 0.00 30.24 31.90 2zup n GLN 33 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2zup h HIS 34 N 0.00 0.00 0.25 1.08 3.86 0.32 0.46 115.15 121.12 2zup h HIS 34 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2zup h HIS 34 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2zup h HIS 34 CO 0.00 0.00 -0.12 0.28 0.86 0.00 0.00 177.93 178.95 2zup h VAL 35 N 0.00 0.80 -0.29 2.45 2.07 -0.55 -2.68 116.25 118.04 2zup h VAL 35 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2zup h VAL 35 Cb 0.20 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2zup h VAL 35 CO 0.00 0.07 0.00 0.23 0.02 0.00 0.00 177.57 177.89 2zup n MET 36 N -5.17 1.67 -3.53 1.57 2.81 -0.95 -4.96 117.12 108.57 2zup n MET 36 Ca -0.09 -1.04 -0.22 0.00 -1.81 0.00 0.00 57.70 54.53 2zup n MET 36 Cb 0.21 -1.23 0.01 0.00 -0.71 0.00 0.00 33.22 31.50 2zup n MET 36 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2zup n LEU 37 N 0.35 -3.35 -4.87 4.03 4.32 0.40 -5.01 117.00 112.86 2zup n LEU 37 Ca 0.10 -0.51 -0.27 0.00 -0.02 0.00 0.00 56.01 55.30 2zup n LEU 37 Cb 0.25 -2.05 -0.04 0.00 -1.62 0.00 0.00 43.42 39.95 2zup n LEU 37 CO 0.07 -0.18 -0.17 -0.76 -1.22 0.00 0.00 177.39 175.13 2zup s LEU 38 N -4.04 4.07 0.06 2.23 1.02 0.13 -4.94 118.68 117.22 2zup s LEU 38 Ca 0.11 0.04 -0.23 0.00 0.02 0.00 0.00 54.13 54.07 2zup s LEU 38 Cb -0.01 -2.67 -0.06 0.00 0.02 0.00 0.00 46.19 43.46 2zup s LEU 38 CO 0.86 0.08 0.70 -0.54 0.02 0.00 0.00 176.35 177.47 2zup s LYS 39 N -3.03 4.43 0.00 1.70 1.02 -1.26 -4.64 119.74 117.96 2zup s LYS 39 Ca 0.33 0.96 0.00 0.00 0.02 0.00 0.00 55.97 57.28 2zup s LYS 39 Cb -0.11 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 2zup s LYS 39 CO 0.26 0.41 0.00 -2.30 -0.92 0.00 0.00 175.35 172.80 2zup n PRO 40 N 2.39 1.65 0.00 -1.68 -0.02 -1.26 -5.03 135.00 131.04 2zup n PRO 40 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2zup n PRO 40 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 2zup n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2zup n VAL 42 N 0.00 1.51 -0.30 0.00 0.31 -1.26 -4.11 118.33 114.48 2zup n VAL 42 Ca 0.00 -0.13 0.08 0.00 -0.01 0.00 0.00 64.34 64.29 2zup n VAL 42 Cb 0.00 -2.10 0.24 0.00 -0.91 0.00 0.00 33.84 31.08 2zup n VAL 42 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2zup h LEU 43 N -1.00 0.52 0.00 7.52 4.07 -1.96 -2.78 115.31 121.68 2zup h LEU 43 Ca -0.38 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.68 2zup h LEU 43 Cb 1.29 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.05 2zup h LEU 43 CO -0.23 0.20 0.00 0.00 -1.08 0.00 0.00 178.44 177.33 2zup n ILE 45 N -1.60 0.69 -0.05 0.00 -5.35 -1.05 -0.20 119.36 111.79 2zup n ILE 45 Ca 0.00 0.12 -0.15 0.00 -0.27 0.00 0.00 62.75 62.45 2zup n ILE 45 Cb 0.00 -0.88 -0.04 0.00 -1.74 0.00 0.00 39.64 36.98 2zup n ILE 45 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 2zup h TYR 46 N 0.00 1.06 -0.03 4.28 -1.99 -0.36 -0.57 116.97 119.36 2zup h TYR 46 Ca 0.00 -0.41 -0.15 0.00 2.00 0.00 0.00 58.73 60.17 2zup h TYR 46 Cb 0.40 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 2zup h TYR 46 CO 0.00 1.23 -0.67 0.93 -0.00 0.00 0.00 178.16 179.66 2zup h GLU 47 N 0.61 0.14 0.00 4.88 5.08 0.11 0.65 114.58 126.06 2zup h GLU 47 Ca -0.01 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2zup h GLU 47 Cb 1.24 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2zup h GLU 47 CO 0.13 0.76 -0.22 0.00 -1.00 0.00 0.00 179.01 178.68 2zup h ARG 48 N 0.10 0.00 0.05 2.33 3.08 -0.55 -3.15 114.38 116.24 2zup h ARG 48 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 2zup h ARG 48 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 2zup h ARG 48 CO 0.10 0.22 -0.93 0.28 -1.07 0.00 0.00 179.97 178.57 2zup h VAL 49 N 0.00 1.24 0.00 2.04 2.07 -0.10 -0.26 116.25 121.24 2zup h VAL 49 Ca -0.00 -2.33 -0.07 0.00 0.82 0.00 0.00 66.70 65.12 2zup h VAL 49 Cb 0.49 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 2zup h VAL 49 CO 0.03 0.56 -0.06 0.00 0.02 0.00 0.00 177.57 178.12 2zup n ALA 50 N -2.99 4.00 -0.16 1.67 0.00 0.22 -1.00 120.51 122.25 2zup n ALA 50 Ca -0.22 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2zup n ALA 50 Cb 0.71 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2zup n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2zup n LEU 51 N 2.24 0.00 0.00 0.00 0.00 -1.19 -4.26 117.00 113.79 2zup n LEU 51 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 56.01 56.22 2zup n LEU 51 Cb 0.50 0.28 0.27 0.00 0.00 0.00 0.00 43.42 44.47 2zup n LEU 51 CO 0.09 -0.42 0.51 0.49 0.00 0.00 0.00 177.39 178.07 2zup n PHE 52 N -2.26 0.00 -1.43 1.96 3.01 -0.11 0.31 117.46 118.94 2zup n PHE 52 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 2zup n PHE 52 Cb 0.00 -0.04 0.14 0.00 -0.01 0.00 0.00 39.48 39.57 2zup n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2zup n GLY 53 N -0.43 5.23 1.67 1.37 0.00 -0.17 -3.95 105.19 108.91 2zup n GLY 53 Ca 0.07 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2zup n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2zup n VAL 54 N -1.03 0.00 1.00 1.61 0.31 0.15 -4.43 118.33 115.94 2zup n VAL 54 Ca 0.51 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.85 2zup n VAL 54 Cb 1.13 -0.30 0.07 0.00 -0.91 0.00 0.00 33.84 33.83 2zup n VAL 54 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2zup n LEU 55 N -2.33 0.00 0.00 7.52 4.77 -0.74 -0.69 117.00 125.53 2zup n LEU 55 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2zup n LEU 55 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2zup n LEU 55 CO 0.00 0.00 -0.19 0.61 -1.33 0.00 0.00 177.39 176.48 2zup n GLY 56 N 0.00 0.00 2.61 -0.72 0.00 -1.25 -4.65 105.19 101.17 2zup n GLY 56 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2zup n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zup n ALA 57 N -0.95 6.28 -0.01 4.61 0.00 -0.36 -2.66 120.51 127.43 2zup n ALA 57 Ca 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.58 2zup n ALA 57 Cb 0.14 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 17.87 2zup n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zup n ALA 58 N -0.70 0.00 -1.00 0.00 0.00 0.13 -4.46 120.51 114.48 2zup n ALA 58 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2zup n ALA 58 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2zup n ALA 58 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2zup n LEU 59 N 0.00 0.00 -0.29 0.00 4.77 -1.25 -2.63 117.00 117.60 2zup n LEU 59 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2zup n LEU 59 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2zup n LEU 59 CO 0.00 0.00 0.13 -0.38 -1.33 0.00 0.00 177.39 175.81 2zup n ILE 60 N 0.00 0.00 0.00 -0.08 5.41 -1.09 -2.99 119.36 120.61 2zup n ILE 60 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2zup n ILE 60 Cb 0.00 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.69 2zup n ILE 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2zup n GLY 61 N 0.13 0.23 0.00 7.39 0.00 -1.19 -4.82 105.19 106.94 2zup n GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2zup n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zup n ALA 62 N -3.00 1.95 0.27 4.61 0.00 -1.25 -3.64 120.51 119.45 2zup n ALA 62 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2zup n ALA 62 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 2zup n ALA 62 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2zup h ILE 63 N 0.02 0.00 -2.97 0.00 5.03 -1.78 -3.36 117.51 114.45 2zup h ILE 63 Ca 0.00 -0.93 0.34 0.00 -0.12 0.00 0.00 64.86 64.15 2zup h ILE 63 Cb 0.01 1.91 -0.12 0.00 -3.03 0.00 0.00 36.82 35.59 2zup h ILE 63 CO 0.00 0.00 -0.70 0.00 -0.68 0.00 0.00 178.15 176.77 2zup n ALA 64 N -2.06 -3.35 0.87 1.87 0.00 -1.08 -3.95 120.51 112.80 2zup n ALA 64 Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2zup n ALA 64 Cb 0.52 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2zup n ALA 64 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2zup n PRO 65 N -4.05 0.66 -3.71 0.00 -0.02 -1.26 -4.62 135.00 122.01 2zup n PRO 65 Ca -0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.35 2zup n PRO 65 Cb 0.60 -1.23 -0.11 0.00 -0.02 0.00 0.00 33.50 32.74 2zup n PRO 65 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2zup s LYS 66 N -1.32 0.34 -0.53 -0.52 1.02 -1.26 -5.11 119.74 112.36 2zup s LYS 66 Ca 0.00 0.70 0.02 0.00 0.02 0.00 0.00 55.97 56.71 2zup s LYS 66 Cb 0.00 -0.04 0.43 0.00 -0.52 0.00 0.00 37.83 37.70 2zup s LYS 66 CO 0.00 -0.15 1.57 0.25 -0.92 0.00 0.00 175.35 176.09 2zup n THR 67 N 4.19 3.01 0.01 2.17 -2.24 -1.25 -4.61 114.28 115.54 2zup n THR 67 Ca -0.23 -4.03 -0.21 0.00 -2.27 0.00 0.00 64.05 57.30 2zup n THR 67 Cb 0.55 -1.19 -0.14 0.00 -2.10 0.00 0.00 70.33 67.44 2zup n THR 67 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2zup n PRO 68 N -0.69 0.76 -3.97 -0.78 -0.04 -1.26 -4.89 135.00 124.13 2zup n PRO 68 Ca 0.50 0.26 -0.31 0.00 -0.04 0.00 0.00 63.50 63.91 2zup n PRO 68 Cb 0.68 -1.71 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2zup n PRO 68 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2zup s LEU 69 N -7.04 4.36 -0.30 1.53 0.20 -1.26 -4.98 118.68 111.19 2zup s LEU 69 Ca -0.22 -2.15 0.07 0.00 0.69 0.00 0.00 54.13 52.52 2zup s LEU 69 Cb 0.07 -1.52 0.46 0.00 -0.43 0.00 0.00 46.19 44.77 2zup s LEU 69 CO 0.77 -0.37 1.21 0.54 -0.29 0.00 0.00 176.35 178.20 2zup n ARG 70 N 4.25 3.56 0.00 1.98 1.74 -1.26 -4.51 116.66 122.43 2zup n ARG 70 Ca 0.03 -4.14 0.11 0.00 -0.77 0.00 0.00 57.85 53.08 2zup n ARG 70 Cb 0.41 -2.27 -0.00 0.00 -1.02 0.00 0.00 32.46 29.59 2zup n ARG 70 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 2zup n TYR 71 N -0.72 0.00 -0.06 -1.55 0.18 -1.26 -3.00 117.16 110.74 2zup n TYR 71 Ca 0.44 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 60.09 2zup n TYR 71 Cb 0.96 -0.07 -0.00 0.00 -0.38 0.00 0.00 39.34 39.85 2zup n TYR 71 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 2zup h VAL 72 N 0.19 1.29 0.00 -3.48 2.07 -1.82 -3.13 116.25 111.36 2zup h VAL 72 Ca 0.00 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.77 2zup h VAL 72 Cb 0.52 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2zup h VAL 72 CO 0.00 0.55 -0.25 0.00 0.02 0.00 0.00 177.57 177.88 2zup h ALA 73 N 0.80 0.94 -0.25 1.67 0.00 -1.71 -1.75 119.26 118.96 2zup h ALA 73 Ca 0.03 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2zup h ALA 73 Cb 1.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2zup h ALA 73 CO 0.11 0.32 0.01 1.98 0.00 0.00 0.00 179.25 181.66 2zup h MET 74 N 0.00 0.08 -0.02 0.00 -1.53 -1.49 -0.16 114.93 111.82 2zup h MET 74 Ca -0.00 -0.01 -0.16 0.00 -3.44 0.00 0.00 59.70 56.09 2zup h MET 74 Cb 0.91 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.93 2zup h MET 74 CO 0.03 0.06 -0.74 0.28 0.14 0.00 0.00 176.91 176.68 2zup h VAL 75 N 0.09 1.48 0.00 -5.77 2.07 -1.50 1.60 116.25 114.22 2zup h VAL 75 Ca 0.12 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2zup h VAL 75 Cb 0.15 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2zup h VAL 75 CO -0.20 0.69 0.00 -0.38 0.02 0.00 0.00 177.57 177.71 2zup n ILE 76 N -3.72 1.07 0.00 4.57 5.41 -0.67 -1.82 119.36 124.20 2zup n ILE 76 Ca -0.02 0.27 0.00 0.00 1.00 0.00 0.00 62.75 64.00 2zup n ILE 76 Cb 0.71 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 2zup n ILE 76 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 2zup n TRP 77 N -1.35 0.00 -0.28 1.39 7.02 -0.11 -4.25 117.44 119.86 2zup n TRP 77 Ca 0.03 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.64 2zup n TRP 77 Cb 0.06 0.00 0.38 0.00 -2.42 0.00 0.00 31.31 29.34 2zup n TRP 77 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2zup h LEU 78 N 0.00 0.65 -5.53 -0.99 3.38 0.25 -3.20 115.31 109.87 2zup h LEU 78 Ca 0.00 0.05 -0.44 0.00 0.09 0.00 0.00 57.88 57.58 2zup h LEU 78 Cb 0.90 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 41.18 2zup h LEU 78 CO 0.00 0.30 -1.17 -1.22 0.09 0.00 0.00 178.44 176.45 2zup n TYR 79 N -4.58 0.79 0.00 1.13 4.02 -0.76 -4.59 117.16 113.16 2zup n TYR 79 Ca 0.19 -3.39 0.00 0.00 -0.01 0.00 0.00 57.90 54.68 2zup n TYR 79 Cb 0.52 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 2zup n TYR 79 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2zup n SER 80 N 0.10 0.00 0.24 7.72 3.41 -1.22 -4.75 113.62 119.13 2zup n SER 80 Ca 0.19 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.89 2zup n SER 80 Cb 0.72 0.11 0.60 0.00 -0.26 0.00 0.00 64.21 65.37 2zup n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2zup h ALA 81 N 0.00 1.47 0.66 7.33 0.00 -1.77 -2.84 119.26 124.11 2zup h ALA 81 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2zup h ALA 81 Cb 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2zup h ALA 81 CO 0.00 0.22 -0.32 0.35 0.00 0.00 0.00 179.25 179.50 2zup h PHE 82 N 0.00 -0.82 0.06 0.00 -0.00 -1.81 -0.99 116.94 113.37 2zup h PHE 82 Ca -0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 57.97 57.97 2zup h PHE 82 Cb 0.36 0.27 -0.05 0.00 -0.00 0.00 0.00 35.95 36.53 2zup h PHE 82 CO 0.00 -0.48 -0.50 0.00 -0.00 0.00 0.00 178.31 177.33 2zup h ARG 83 N -0.97 -0.66 -1.41 1.11 2.47 -1.84 0.24 114.38 113.32 2zup h ARG 83 Ca -0.09 0.05 0.45 0.00 -1.26 0.00 0.00 59.98 59.12 2zup h ARG 83 Cb 0.70 0.15 -0.10 0.00 -1.65 0.00 0.00 29.97 29.07 2zup h ARG 83 CO 0.15 -0.44 0.96 0.41 0.56 0.00 0.00 179.97 181.61 2zup n GLY 84 N -1.47 -0.78 0.14 0.04 0.00 -1.08 -0.68 105.19 101.36 2zup n GLY 84 Ca -0.07 0.64 -0.05 0.00 0.00 0.00 0.00 46.02 46.53 2zup n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2zup h VAL 85 N 0.00 0.00 -0.01 1.61 2.07 0.90 -3.02 116.25 117.80 2zup h VAL 85 Ca 0.79 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 68.10 2zup h VAL 85 Cb 2.80 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 2zup h VAL 85 CO -0.25 0.00 -0.62 0.06 0.02 0.00 0.00 177.57 176.78 2zup h GLN 86 N -0.42 0.04 -0.33 1.57 -0.00 -1.09 0.50 115.11 115.38 2zup h GLN 86 Ca -0.04 -0.03 0.06 0.00 -0.00 0.00 0.00 58.65 58.64 2zup h GLN 86 Cb 0.27 0.01 -0.08 0.00 -0.00 0.00 0.00 27.48 27.67 2zup h GLN 86 CO 0.06 0.65 -0.47 -0.07 -0.00 0.00 0.00 178.83 179.01 2zup h LEU 87 N 0.03 -1.53 -0.64 0.06 3.38 -1.03 1.94 115.31 117.53 2zup h LEU 87 Ca -0.01 0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2zup h LEU 87 Cb 1.11 0.64 -0.03 0.00 0.09 0.00 0.00 40.66 42.48 2zup h LEU 87 CO 0.08 -0.40 0.14 0.71 0.09 0.00 0.00 178.44 179.06 2zup h THR 88 N -0.40 1.26 0.72 0.22 1.35 -1.34 -2.13 112.91 112.59 2zup h THR 88 Ca 0.10 -0.96 -0.04 0.00 -0.55 0.00 0.00 66.41 64.96 2zup h THR 88 Cb 0.61 0.65 0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2zup h THR 88 CO -0.53 0.36 -0.34 0.22 -0.25 0.00 0.00 175.52 174.97 2zup h TYR 89 N 0.96 -0.89 -0.21 4.73 5.03 0.17 0.20 116.97 126.96 2zup h TYR 89 Ca 0.20 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.54 2zup h TYR 89 Cb 0.39 0.30 -0.07 0.00 1.55 0.00 0.00 36.73 38.89 2zup h TYR 89 CO 0.03 -0.56 -0.32 0.93 -1.32 0.00 0.00 178.16 176.92 2zup h GLU 90 N -1.21 -0.34 -0.23 1.82 5.08 0.29 0.33 114.58 120.32 2zup h GLU 90 Ca -0.10 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2zup h GLU 90 Cb 0.74 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 2zup h GLU 90 CO 0.16 -0.23 -0.14 1.58 -1.00 0.00 0.00 179.01 179.39 2zup n HIS 91 N -5.41 -0.10 0.29 4.33 -0.00 -0.80 -1.57 115.22 111.96 2zup n HIS 91 Ca -0.02 0.29 0.17 0.00 0.46 0.00 0.00 57.72 58.63 2zup n HIS 91 Cb 0.33 -0.46 0.82 0.00 -0.12 0.00 0.00 29.99 30.56 2zup n HIS 91 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2zup h THR 92 N 0.00 0.16 -0.99 3.57 1.03 0.10 -2.81 112.91 113.97 2zup h THR 92 Ca 0.04 -0.42 0.21 0.00 -0.01 0.00 0.00 66.41 66.22 2zup h THR 92 Cb 0.10 1.36 -0.10 0.00 -1.07 0.00 0.00 68.15 68.44 2zup h THR 92 CO -0.22 0.04 0.62 0.24 -0.01 0.00 0.00 175.52 176.19 2zup h MET 93 N 0.00 0.60 -0.06 0.00 2.07 0.62 -3.08 114.93 115.08 2zup h MET 93 Ca -0.00 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 2zup h MET 93 Cb 0.35 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 2zup h MET 93 CO 0.01 0.40 0.00 1.28 1.07 0.00 0.00 176.91 179.66 2zup n LEU 94 N -4.68 2.46 -0.18 1.22 4.77 -1.06 -4.06 117.00 115.46 2zup n LEU 94 Ca 0.23 -0.85 -0.06 0.00 -0.03 0.00 0.00 56.01 55.30 2zup n LEU 94 Cb 0.66 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.76 2zup n LEU 94 CO 0.24 0.43 1.08 1.56 -1.33 0.00 0.00 177.39 179.37 2zup h GLN 95 N 3.76 0.64 0.00 3.23 7.50 -1.73 -3.02 115.11 125.50 2zup h GLN 95 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2zup h GLN 95 Cb 0.80 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.19 2zup h GLN 95 CO 0.00 0.43 0.00 -0.11 -1.50 0.00 0.00 178.83 177.65 2zup n LEU 96 N -4.76 0.53 -4.11 1.46 0.00 -1.26 -4.91 117.00 103.95 2zup n LEU 96 Ca 0.04 -0.65 -0.36 0.00 0.00 0.00 0.00 56.01 55.03 2zup n LEU 96 Cb 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.41 2zup n LEU 96 CO 0.33 0.13 0.33 -0.31 0.00 0.00 0.00 177.39 177.88 2zup s TYR 97 N -0.23 3.87 0.72 1.96 4.12 -1.14 -5.10 117.35 121.55 2zup s TYR 97 Ca 0.00 -3.01 -0.07 0.00 0.02 0.00 0.00 57.07 54.01 2zup s TYR 97 Cb 0.00 -3.24 0.07 0.00 -1.52 0.00 0.00 41.96 37.27 2zup s TYR 97 CO 0.00 -0.74 1.03 -1.25 0.02 0.00 0.00 175.55 174.61 2zup s PRO 98 N -1.28 2.10 -0.10 -1.71 0.04 -1.20 -3.72 135.00 129.13 2zup s PRO 98 Ca 0.27 -0.27 -0.05 0.00 0.04 0.00 0.00 61.00 60.98 2zup s PRO 98 Cb -0.08 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.35 2zup s PRO 98 CO -0.12 -1.31 0.23 0.45 0.04 0.00 0.00 177.00 176.29 2zup s SER 99 N -4.54 -0.24 0.00 6.66 0.15 -1.26 -5.05 113.70 109.41 2zup s SER 99 Ca 0.61 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2zup s SER 99 Cb -0.10 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2zup s SER 99 CO 0.45 -0.16 1.00 -2.65 1.20 0.00 0.00 173.24 173.08 2zup n PRO 100 N 4.16 0.00 0.00 5.44 -0.02 -1.26 -2.33 135.00 140.99 2zup n PRO 100 Ca -0.25 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2zup n PRO 100 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2zup n PRO 100 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2zup n PHE 101 N -2.85 0.00 -2.61 6.00 1.16 -1.26 -4.77 117.46 113.14 2zup n PHE 101 Ca 0.00 -0.07 -0.08 0.00 -1.87 0.00 0.00 57.45 55.43 2zup n PHE 101 Cb 0.00 -0.09 0.04 0.00 -1.61 0.00 0.00 39.48 37.82 2zup n PHE 101 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2zup n ALA 102 N 0.35 0.21 -3.01 1.98 0.00 -0.98 -5.15 120.51 113.91 2zup n ALA 102 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2zup n ALA 102 Cb 0.17 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2zup n ALA 102 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2zup n THR 103 N -1.76 0.00 -3.24 0.00 -2.24 -1.26 -5.10 114.28 100.68 2zup n THR 103 Ca 0.06 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.88 2zup n THR 103 Cb 0.22 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 2zup n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2zup s ASP 105 N 2.80 4.54 0.00 0.00 1.11 -1.26 -5.04 116.67 118.82 2zup s ASP 105 Ca 0.04 -1.36 0.00 0.00 0.18 0.00 0.00 52.55 51.41 2zup s ASP 105 Cb -0.11 0.56 0.00 0.00 1.07 0.00 0.00 42.92 44.45 2zup s ASP 105 CO -0.16 -1.13 0.00 2.22 1.18 0.00 0.00 175.17 177.28 2zup n PHE 106 N -1.73 0.00 -3.55 4.23 -1.74 -1.26 -4.12 117.46 109.30 2zup n PHE 106 Ca -0.05 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.64 2zup n PHE 106 Cb 0.65 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.63 2zup n PHE 106 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 2zup s MET 107 N -0.22 2.77 0.25 3.97 -1.94 -1.26 -3.80 119.30 119.06 2zup s MET 107 Ca 0.00 -1.29 0.01 0.00 -1.71 0.00 0.00 55.69 52.70 2zup s MET 107 Cb 0.00 -2.57 -0.03 0.00 2.01 0.00 0.00 34.83 34.24 2zup s MET 107 CO 0.00 -0.05 0.20 0.14 -0.01 0.00 0.00 175.02 175.31 2zup s VAL 108 N -2.33 0.00 0.19 -6.03 -7.23 -1.26 -4.90 120.40 98.84 2zup s VAL 108 Ca 0.46 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 2zup s VAL 108 Cb -0.07 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2zup s VAL 108 CO 0.29 0.00 0.15 0.00 -0.31 0.00 0.00 175.10 175.23 2zup s ARG 109 N -3.90 1.18 -0.34 4.82 1.70 -1.26 -5.05 118.95 116.10 2zup s ARG 109 Ca 0.38 -1.55 0.05 0.00 -0.47 0.00 0.00 55.73 54.14 2zup s ARG 109 Cb 0.05 0.28 0.18 0.00 -0.57 0.00 0.00 34.95 34.89 2zup s ARG 109 CO 0.17 -0.39 0.53 0.12 -1.08 0.00 0.00 175.30 174.65 2zup s PHE 110 N -4.12 -1.40 0.00 5.89 5.99 -1.26 -4.83 117.98 118.25 2zup s PHE 110 Ca 0.35 0.36 0.00 0.00 0.00 0.00 0.00 56.93 57.64 2zup s PHE 110 Cb 0.06 0.10 0.00 0.00 0.00 0.00 0.00 43.02 43.18 2zup s PHE 110 CO 0.10 -1.08 0.00 -2.30 -0.00 0.00 0.00 175.22 171.94 2zup n PRO 111 N 4.91 0.00 -0.06 10.12 -0.02 -1.26 -4.25 135.00 144.45 2zup n PRO 111 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2zup n PRO 111 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2zup n PRO 111 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2zup n GLU 112 N 0.00 -0.12 -0.25 -0.52 4.07 -1.26 -2.66 120.64 119.90 2zup n GLU 112 Ca 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2zup n GLU 112 Cb 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2zup n GLU 112 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 2zup n TRP 113 N 0.00 -0.03 -2.41 4.31 7.02 -1.26 -4.93 117.44 120.13 2zup n TRP 113 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 2zup n TRP 113 Cb 0.00 -0.86 -0.03 0.00 -2.42 0.00 0.00 31.31 28.00 2zup n TRP 113 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2zup s LEU 114 N -0.10 4.39 -0.52 -0.99 1.02 -1.09 -5.03 118.68 116.37 2zup s LEU 114 Ca 0.00 2.07 0.04 0.00 0.02 0.00 0.00 54.13 56.25 2zup s LEU 114 Cb 0.00 -3.59 0.14 0.00 0.02 0.00 0.00 46.19 42.77 2zup s LEU 114 CO 0.00 -0.44 0.31 -2.16 0.02 0.00 0.00 176.35 174.09 2zup s PRO 115 N 0.72 1.75 0.10 1.29 0.04 -1.26 -4.31 135.00 133.33 2zup s PRO 115 Ca 0.57 -2.53 -0.24 0.00 0.04 0.00 0.00 61.00 58.84 2zup s PRO 115 Cb -0.30 -2.84 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 2zup s PRO 115 CO 0.31 -1.19 1.41 1.37 0.04 0.00 0.00 177.00 178.93 2zup h LEU 116 N 6.26 -1.39 -0.35 -3.56 8.10 -1.88 -3.17 115.31 119.32 2zup h LEU 116 Ca 0.03 0.18 0.03 0.00 0.11 0.00 0.00 57.88 58.23 2zup h LEU 116 Cb 0.87 0.57 -0.04 0.00 -0.44 0.00 0.00 40.66 41.62 2zup h LEU 116 CO 0.60 -0.30 -0.21 0.47 -4.11 0.00 0.00 178.44 174.89 2zup n ASP 117 N -4.68 -0.37 0.07 0.17 10.43 -1.23 -2.51 116.55 118.42 2zup n ASP 117 Ca -0.03 1.00 0.12 0.00 2.57 0.00 0.00 54.79 58.45 2zup n ASP 117 Cb 0.25 -0.27 0.16 0.00 1.84 0.00 0.00 41.12 43.11 2zup n ASP 117 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 2zup h LYS 118 N 0.00 0.00 0.48 -1.24 1.57 -1.81 -3.04 116.57 112.53 2zup h LYS 118 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2zup h LYS 118 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2zup h LYS 118 CO -0.33 0.00 -0.23 -1.49 -0.57 0.00 0.00 179.45 176.83 2zup h TRP 119 N 0.00 -0.60 -3.66 -1.35 -0.00 -1.46 -3.35 115.95 105.53 2zup h TRP 119 Ca 0.00 -0.01 -0.76 0.00 -0.00 0.00 0.00 58.89 58.12 2zup h TRP 119 Cb 0.77 0.20 -0.29 0.00 -0.00 0.00 0.00 29.16 29.84 2zup h TRP 119 CO 0.00 -0.37 -0.10 0.54 -0.00 0.00 0.00 178.44 178.51 2zup s VAL 120 N -3.92 4.92 0.31 1.49 0.11 -1.22 -4.92 120.40 117.17 2zup s VAL 120 Ca -0.09 -2.51 0.04 0.00 -2.93 0.00 0.00 61.98 56.48 2zup s VAL 120 Cb 0.01 -4.10 0.30 0.00 -1.53 0.00 0.00 36.38 31.06 2zup s VAL 120 CO 0.28 -0.96 1.87 -0.65 -3.33 0.00 0.00 175.10 172.32 2zup h PRO 121 N 7.67 0.88 -0.15 1.54 0.11 -1.68 -1.54 132.00 138.84 2zup h PRO 121 Ca 0.02 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.99 2zup h PRO 121 Cb 1.02 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 2zup h PRO 121 CO 0.77 0.58 -0.29 1.96 -0.21 0.00 0.00 178.00 180.81 2zup h GLN 122 N 0.90 0.28 0.00 1.05 4.20 -1.91 -3.34 115.11 116.29 2zup h GLN 122 Ca 0.45 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 59.06 2zup h GLN 122 Cb 0.48 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2zup h GLN 122 CO -0.21 0.55 -0.38 1.55 -0.67 0.00 0.00 178.83 179.67 2zup n VAL 123 N -4.12 0.00 -2.40 -0.54 3.14 -1.15 -4.75 118.33 108.51 2zup n VAL 123 Ca -0.01 -0.13 -0.40 0.00 -2.96 0.00 0.00 64.34 60.83 2zup n VAL 123 Cb 0.40 0.60 0.02 0.00 -1.06 0.00 0.00 33.84 33.80 2zup n VAL 123 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2zup n PHE 124 N -0.84 2.80 -3.87 1.45 3.01 -0.59 -4.96 117.46 114.46 2zup n PHE 124 Ca 0.00 -2.50 -0.11 0.00 1.01 0.00 0.00 57.45 55.85 2zup n PHE 124 Cb 0.00 -1.23 -0.12 0.00 -0.01 0.00 0.00 39.48 38.13 2zup n PHE 124 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2zup s VAL 125 N -4.37 0.04 0.35 -4.37 0.11 -1.26 -3.51 120.40 107.38 2zup s VAL 125 Ca 0.43 -0.36 0.08 0.00 -2.93 0.00 0.00 61.98 59.21 2zup s VAL 125 Cb 0.26 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.83 2zup s VAL 125 CO -0.21 -0.20 0.15 0.00 -3.33 0.00 0.00 175.10 171.51 2zup s ALA 126 N -0.62 3.51 -0.47 1.54 0.00 -1.26 -4.83 121.76 119.63 2zup s ALA 126 Ca -0.07 -1.85 0.07 0.00 0.00 0.00 0.00 51.96 50.12 2zup s ALA 126 Cb -0.04 -0.71 0.18 0.00 0.00 0.00 0.00 23.12 22.55 2zup s ALA 126 CO 0.00 0.02 0.67 -1.54 0.00 0.00 0.00 175.76 174.91 2zup s SER 127 N -3.85 -1.35 -0.12 0.00 1.04 -1.25 -4.93 113.70 103.24 2zup s SER 127 Ca 0.38 -1.36 -0.29 0.00 0.48 0.00 0.00 55.95 55.15 2zup s SER 127 Cb -0.02 1.84 -0.04 0.00 0.10 0.00 0.00 66.02 67.90 2zup s SER 127 CO 0.23 -0.11 1.54 -0.83 0.98 0.00 0.00 173.24 175.05 2zup s GLY 128 N 1.28 1.48 0.34 7.32 0.00 -1.25 -4.66 107.32 111.83 2zup s GLY 128 Ca 0.24 0.69 0.05 0.00 0.00 0.00 0.00 44.72 45.70 2zup s GLY 128 CO -0.06 2.89 0.20 0.99 0.00 0.00 0.00 173.10 177.12 2zup s ASP 129 N 3.21 1.84 0.00 1.64 1.01 -1.26 -4.81 116.67 118.30 2zup s ASP 129 Ca 0.68 -1.67 0.00 0.00 0.71 0.00 0.00 52.55 52.27 2zup s ASP 129 Cb -0.28 0.50 0.00 0.00 1.01 0.00 0.00 42.92 44.15 2zup s ASP 129 CO 0.26 -0.98 0.50 -1.54 0.21 0.00 0.00 175.17 173.62 2zup n SER 130 N -1.27 0.00 0.00 0.27 3.41 -1.26 -5.05 113.62 109.72 2zup n SER 130 Ca 0.02 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2zup n SER 130 Cb 0.64 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2zup n SER 130 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2zup n TRP 135 N -0.88 0.00 -1.31 7.33 5.03 -1.26 -5.21 117.44 121.14 2zup n TRP 135 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 2zup n TRP 135 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.28 2zup n TRP 135 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 2zup n ASP 136 N 0.00 -7.24 -3.56 -0.99 8.00 -1.26 -5.05 116.55 106.45 2zup n ASP 136 Ca 0.00 0.99 -0.29 0.00 0.71 0.00 0.00 54.79 56.20 2zup n ASP 136 Cb 0.00 -3.56 -0.15 0.00 -0.02 0.00 0.00 41.12 37.39 2zup n ASP 136 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2zup s PHE 137 N -2.57 0.51 0.00 1.24 0.40 0.11 -4.92 117.98 112.76 2zup s PHE 137 Ca 0.00 -1.01 0.00 0.00 -0.60 0.00 0.00 56.93 55.32 2zup s PHE 137 Cb 0.00 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.52 2zup s PHE 137 CO 0.00 -0.84 0.00 1.28 0.70 0.00 0.00 175.22 176.36 2zup n LEU 138 N 5.16 0.00 -0.62 -0.37 4.32 -1.26 -2.19 117.00 122.04 2zup n LEU 138 Ca -0.05 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.94 2zup n LEU 138 Cb 0.42 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 2zup n LEU 138 CO 0.05 0.00 0.31 0.61 -1.22 0.00 0.00 177.39 177.14 2zup n GLY 139 N 0.00 1.62 0.00 -0.72 0.00 -1.26 -4.84 105.19 99.98 2zup n GLY 139 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2zup n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2zup n LEU 140 N 0.11 0.00 0.00 0.99 4.32 -0.93 -5.17 117.00 116.32 2zup n LEU 140 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2zup n LEU 140 Cb 0.31 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 2zup n LEU 140 CO 0.00 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 175.55 2zup n GLU 141 N 0.00 3.85 0.28 3.23 1.02 -1.24 0.07 120.64 127.84 2zup n GLU 141 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2zup n GLU 141 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 2zup n GLU 141 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2zup h MET 142 N 0.00 -0.68 -0.26 3.49 2.86 -1.91 -3.33 114.93 115.09 2zup h MET 142 Ca 0.00 0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 2zup h MET 142 Cb 0.00 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 2zup h MET 142 CO 0.00 -0.45 -0.34 -1.00 1.06 0.00 0.00 176.91 176.18 2zup h PRO 143 N -0.77 0.69 -0.12 -0.22 0.13 -1.99 -2.86 132.00 126.86 2zup h PRO 143 Ca -0.07 -0.40 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2zup h PRO 143 Cb 0.54 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 2zup h PRO 143 CO 0.12 1.01 -0.02 1.96 -0.23 0.00 0.00 178.00 180.84 2zup h GLN 144 N 0.42 0.02 -0.08 0.86 4.20 -1.90 -1.14 115.11 117.49 2zup h GLN 144 Ca 0.03 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.76 2zup h GLN 144 Cb 0.92 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 2zup h GLN 144 CO 0.08 0.01 0.47 2.35 -0.67 0.00 0.00 178.83 181.07 2zup h TRP 145 N 0.02 0.00 0.00 2.96 7.01 -1.62 0.38 115.95 124.70 2zup h TRP 145 Ca 0.06 0.00 -0.17 0.00 2.11 0.00 0.00 58.89 60.89 2zup h TRP 145 Cb 0.08 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 2zup h TRP 145 CO -0.15 0.00 -1.76 1.28 -2.79 0.00 0.00 178.44 175.01 2zup n LEU 146 N -2.94 0.46 0.20 0.65 4.32 -0.48 -3.36 117.00 115.85 2zup n LEU 146 Ca 0.00 0.20 0.04 0.00 -0.02 0.00 0.00 56.01 56.23 2zup n LEU 146 Cb 0.53 0.15 0.42 0.00 -1.62 0.00 0.00 43.42 42.91 2zup n LEU 146 CO 0.13 0.18 0.80 -0.07 -1.22 0.00 0.00 177.39 177.22 2zup h LEU 147 N 0.00 0.00 0.00 2.23 4.07 0.19 0.64 115.31 122.44 2zup h LEU 147 Ca -0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.75 2zup h LEU 147 Cb 1.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.33 2zup h LEU 147 CO 0.03 0.29 0.00 0.61 -1.08 0.00 0.00 178.44 178.29 2zup n GLY 148 N -0.70 -0.16 0.00 0.83 0.00 -0.08 -1.80 105.19 103.27 2zup n GLY 148 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2zup n GLY 148 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2zup n ILE 149 N -1.08 0.00 0.16 -0.61 -5.35 -0.82 -4.47 119.36 107.20 2zup n ILE 149 Ca 0.02 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.51 2zup n ILE 149 Cb 0.01 -0.12 0.27 0.00 -1.74 0.00 0.00 39.64 38.07 2zup n ILE 149 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 2zup h PHE 150 N 0.00 0.00 0.00 4.28 -1.00 0.36 0.33 116.94 120.91 2zup h PHE 150 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2zup h PHE 150 Cb 0.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.68 2zup h PHE 150 CO 0.00 0.48 -1.25 0.44 -1.61 0.00 0.00 178.31 176.38 2zup n ILE 151 N -3.88 0.00 0.02 -0.55 -5.35 -0.75 -3.86 119.36 104.99 2zup n ILE 151 Ca -0.01 -0.19 -0.05 0.00 -0.27 0.00 0.00 62.75 62.23 2zup n ILE 151 Cb 0.51 0.67 -0.03 0.00 -1.74 0.00 0.00 39.64 39.05 2zup n ILE 151 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2zup h ALA 152 N 2.39 -0.16 0.00 -1.28 0.00 -1.60 -3.22 119.26 115.40 2zup h ALA 152 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2zup h ALA 152 Cb 0.61 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2zup h ALA 152 CO 0.00 -0.16 0.00 0.66 0.00 0.00 0.00 179.25 179.75 2zup n TYR 153 N -4.86 0.00 0.00 0.00 4.02 0.11 -2.79 117.16 113.65 2zup n TYR 153 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2zup n TYR 153 Cb 0.14 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 2zup n TYR 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 2zup n LEU 154 N -0.36 0.56 0.10 7.72 -0.00 -1.23 -4.55 117.00 119.24 2zup n LEU 154 Ca 0.00 0.02 -0.13 0.00 -0.00 0.00 0.00 56.01 55.90 2zup n LEU 154 Cb 0.01 -0.09 -0.06 0.00 -0.00 0.00 0.00 43.42 43.28 2zup n LEU 154 CO 0.00 -0.09 0.79 0.16 -0.00 0.00 0.00 177.39 178.26 2zup h ILE 155 N 0.00 0.75 0.00 1.96 3.07 -1.58 0.48 117.51 122.19 2zup h ILE 155 Ca 0.00 0.00 -0.19 0.00 1.55 0.00 0.00 64.86 66.22 2zup h ILE 155 Cb 0.00 0.75 -0.05 0.00 -0.27 0.00 0.00 36.82 37.25 2zup h ILE 155 CO 0.00 0.00 0.02 0.52 -1.05 0.00 0.00 178.15 177.64 2zup n VAL 156 N -5.23 2.61 0.00 0.16 0.31 -1.12 -0.13 118.33 114.93 2zup n VAL 156 Ca -0.07 -1.33 0.00 0.00 -0.01 0.00 0.00 64.34 62.93 2zup n VAL 156 Cb 0.15 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 2zup n VAL 156 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2zup n ALA 157 N 2.67 0.00 -0.02 3.52 0.00 -0.89 -4.79 120.51 121.01 2zup n ALA 157 Ca 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 2zup n ALA 157 Cb 0.73 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.11 2zup n ALA 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2zup h VAL 158 N 0.00 1.23 -0.62 0.00 2.07 0.83 -3.27 116.25 116.50 2zup h VAL 158 Ca 0.00 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 66.89 2zup h VAL 158 Cb 0.00 1.59 -0.11 0.00 -1.52 0.00 0.00 31.29 31.25 2zup h VAL 158 CO 0.00 0.20 -0.44 -0.07 0.02 0.00 0.00 177.57 177.28 2zup h LEU 159 N -0.16 -1.52 0.00 2.57 3.38 -0.77 -1.54 115.31 117.28 2zup h LEU 159 Ca 0.02 0.25 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 2zup h LEU 159 Cb 0.31 0.70 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2zup h LEU 159 CO 0.00 -0.33 -0.58 0.58 0.09 0.00 0.00 178.44 178.21 2zup h VAL 160 N -0.20 0.68 0.00 1.22 2.07 -1.83 -3.39 116.25 114.80 2zup h VAL 160 Ca 0.19 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 2zup h VAL 160 Cb 0.56 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2zup h VAL 160 CO -0.72 0.39 -1.02 0.52 0.02 0.00 0.00 177.57 176.75 2zup n VAL 161 N -3.14 1.48 1.89 2.57 0.31 -1.01 -5.14 118.33 115.29 2zup n VAL 161 Ca 0.01 0.11 0.15 0.00 -0.01 0.00 0.00 64.34 64.60 2zup n VAL 161 Cb 0.72 -2.31 0.90 0.00 -0.91 0.00 0.00 33.84 32.23 2zup n VAL 161 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81