#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit n LYS 2 N 0.00 -0.04 -2.09 2.12 4.76 -1.26 -5.02 118.16 116.64 1zit n LYS 2 Ca 0.00 0.02 -0.01 0.00 -2.87 0.00 0.00 58.31 55.46 1zit n LYS 2 Cb 0.00 -0.05 -0.00 0.00 -1.84 0.00 0.00 35.03 33.14 1zit n LYS 2 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1zit n ARG 3 N -2.00 -4.01 -4.41 1.97 3.00 -1.26 -4.57 116.66 105.39 1zit n ARG 3 Ca 0.00 3.03 -0.21 0.00 -0.01 0.00 0.00 57.85 60.65 1zit n ARG 3 Cb 0.01 -3.85 -0.10 0.00 0.00 0.00 0.00 32.46 28.52 1zit n ARG 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1zit s VAL 4 N -0.47 2.11 -0.08 1.55 1.01 -1.02 -3.78 120.40 119.71 1zit s VAL 4 Ca -0.03 -2.29 0.03 0.00 0.00 0.00 0.00 61.98 59.69 1zit s VAL 4 Cb 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1zit s VAL 4 CO 0.07 -0.48 -0.16 -0.22 0.00 0.00 0.00 175.10 174.31 1zit s LEU 5 N -3.37 2.58 -0.57 3.92 2.96 0.25 -1.94 118.68 122.51 1zit s LEU 5 Ca 0.26 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1zit s LEU 5 Cb -0.03 -1.54 0.14 0.00 0.50 0.00 0.00 46.19 45.27 1zit s LEU 5 CO 0.11 0.26 0.34 -0.69 -1.32 0.00 0.00 176.35 175.05 1zit s VAL 6 N -0.20 2.99 -0.54 1.68 1.01 -1.26 0.90 120.40 124.99 1zit s VAL 6 Ca -0.00 -3.30 -0.28 0.00 0.00 0.00 0.00 61.98 58.40 1zit s VAL 6 Cb -0.13 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.26 1zit s VAL 6 CO 0.03 -0.84 1.11 -0.69 0.00 0.00 0.00 175.10 174.71 1zit s VAL 7 N -0.34 4.17 -0.04 2.92 1.01 0.69 0.47 120.40 129.28 1zit s VAL 7 Ca 0.18 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 63.00 1zit s VAL 7 Cb -0.22 -4.64 0.01 0.00 0.00 0.00 0.00 36.38 31.53 1zit s VAL 7 CO -0.02 -1.17 0.11 -0.62 0.00 0.00 0.00 175.10 173.40 1zit s ASP 8 N 2.73 -0.10 0.00 3.32 2.15 -1.18 0.14 116.67 123.73 1zit s ASP 8 Ca 0.42 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.59 1zit s ASP 8 Cb -0.08 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.77 1zit s ASP 8 CO 0.26 -0.06 0.77 -0.67 -0.17 0.00 0.00 175.17 175.30 1zit n ASP 9 N 2.91 0.00 -2.89 -0.34 2.03 -0.64 -3.77 116.55 113.85 1zit n ASP 9 Ca -0.13 0.87 -0.13 0.00 0.52 0.00 0.00 54.79 55.92 1zit n ASP 9 Cb 0.59 -0.47 0.09 0.00 -0.72 0.00 0.00 41.12 40.61 1zit n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1zit n GLU 10 N -1.90 -0.48 -3.27 -0.67 -0.58 -1.26 -4.88 120.64 107.60 1zit n GLU 10 Ca 0.00 -0.96 -0.32 0.00 -0.42 0.00 0.00 57.16 55.47 1zit n GLU 10 Cb 0.00 -0.58 -0.05 0.00 -0.57 0.00 0.00 31.44 30.24 1zit n GLU 10 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1zit n GLU 11 N -2.21 3.16 -0.08 3.49 4.71 -1.26 -4.76 120.64 123.69 1zit n GLU 11 Ca 0.07 -4.66 -0.17 0.00 -0.01 0.00 0.00 57.16 52.40 1zit n GLU 11 Cb 0.26 -2.33 -0.06 0.00 -1.01 0.00 0.00 31.44 28.30 1zit n GLU 11 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1zit n SER 12 N 0.90 1.21 0.09 1.62 3.41 -1.26 -4.52 113.62 115.06 1zit n SER 12 Ca 0.29 0.18 -0.23 0.00 -0.26 0.00 0.00 58.87 58.85 1zit n SER 12 Cb 0.38 -0.45 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 1zit n SER 12 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1zit h ILE 13 N -0.54 1.19 -0.08 -1.33 1.08 -2.00 -3.29 117.51 112.54 1zit h ILE 13 Ca -0.40 -2.57 0.02 0.00 -0.39 0.00 0.00 64.86 61.52 1zit h ILE 13 Cb 1.36 2.95 -0.00 0.00 -3.07 0.00 0.00 36.82 38.06 1zit h ILE 13 CO -0.23 0.79 0.20 0.71 -0.69 0.00 0.00 178.15 178.93 1zit h THR 14 N -0.03 0.17 -0.20 -0.27 1.35 -1.87 0.89 112.91 112.94 1zit h THR 14 Ca -0.27 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.46 1zit h THR 14 Cb 1.99 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1zit h THR 14 CO 0.19 0.00 -0.39 0.28 -0.25 0.00 0.00 175.52 175.36 1zit h SER 15 N 0.00 0.69 0.00 5.36 0.02 -1.79 -3.18 113.55 114.65 1zit h SER 15 Ca 0.04 -0.54 -0.29 0.00 -0.84 0.00 0.00 61.79 60.15 1zit h SER 15 Cb 0.44 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1zit h SER 15 CO -0.00 1.11 -1.94 -1.54 -1.14 0.00 0.00 176.83 173.32 1zit n SER 16 N -4.25 1.81 -0.17 3.07 3.41 -0.49 -4.31 113.62 112.69 1zit n SER 16 Ca -0.06 0.31 -0.04 0.00 -0.26 0.00 0.00 58.87 58.83 1zit n SER 16 Cb 0.53 -0.73 0.03 0.00 -0.26 0.00 0.00 64.21 63.77 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1zit h LEU 17 N -0.91 -0.79 -0.65 1.04 7.12 0.54 0.34 115.31 122.01 1zit h LEU 17 Ca -0.44 0.19 0.13 0.00 0.13 0.00 0.00 57.88 57.89 1zit h LEU 17 Cb 1.35 0.44 -0.10 0.00 -0.53 0.00 0.00 40.66 41.83 1zit h LEU 17 CO -0.27 -0.25 0.13 0.28 -0.13 0.00 0.00 178.44 178.20 1zit h SER 18 N -0.10 -0.03 -0.90 1.25 0.02 -1.61 0.36 113.55 112.54 1zit h SER 18 Ca 0.25 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.33 1zit h SER 18 Cb 0.48 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1zit h SER 18 CO -0.60 -0.02 0.60 0.00 -1.14 0.00 0.00 176.83 175.67 1zit h ALA 19 N 1.53 1.14 0.61 3.77 0.00 -1.18 -2.61 119.26 122.53 1zit h ALA 19 Ca 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1zit h ALA 19 Cb 0.55 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1zit h ALA 19 CO -0.45 0.54 -0.51 0.82 0.00 0.00 0.00 179.25 179.65 1zit h ILE 20 N 1.22 0.01 -1.00 0.00 2.04 0.39 -2.08 117.51 118.09 1zit h ILE 20 Ca 0.33 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.47 1zit h ILE 20 Cb -0.14 0.01 -0.13 0.00 -0.74 0.00 0.00 36.82 35.81 1zit h ILE 20 CO -0.07 0.00 0.57 -0.07 0.00 0.00 0.00 178.15 178.58 1zit h LEU 21 N -1.09 0.58 -1.85 1.44 3.38 -1.22 1.07 115.31 117.63 1zit h LEU 21 Ca -0.08 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1zit h LEU 21 Cb 0.92 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1zit h LEU 21 CO -0.01 -0.00 -0.13 -0.33 0.09 0.00 0.00 178.44 178.06 1zit h GLU 22 N 0.46 0.00 0.12 1.13 3.07 -1.01 0.17 114.58 118.52 1zit h GLU 22 Ca 0.68 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 59.26 1zit h GLU 22 Cb 1.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 1zit h GLU 22 CO -0.54 0.13 -1.24 1.49 -1.40 0.00 0.00 179.01 177.46 1zit h GLU 23 N 0.00 0.26 0.00 2.33 4.81 0.17 -3.26 114.58 118.89 1zit h GLU 23 Ca -0.00 -0.44 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 1zit h GLU 23 Cb 0.26 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1zit h GLU 23 CO 0.02 1.21 -0.40 0.93 -0.73 0.00 0.00 179.01 180.04 1zit h GLU 24 N 0.07 0.00 0.00 1.92 4.39 -0.56 -3.47 114.58 116.93 1zit h GLU 24 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1zit h GLU 24 Cb 1.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1zit h GLU 24 CO 0.20 0.40 0.00 0.41 -1.16 0.00 0.00 179.01 178.86 1zit n GLY 25 N 0.80 1.86 2.36 -3.84 0.00 0.15 -5.09 105.19 101.44 1zit n GLY 25 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1zit n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1zit n TYR 26 N -1.01 -2.65 -3.59 1.61 4.01 0.36 -4.87 117.16 111.01 1zit n TYR 26 Ca 0.00 -1.25 -0.29 0.00 -0.16 0.00 0.00 57.90 56.19 1zit n TYR 26 Cb 0.00 -0.35 -0.13 0.00 -0.31 0.00 0.00 39.34 38.56 1zit n TYR 26 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1zit s HIS 27 N -1.26 1.37 0.07 -0.72 2.46 -1.26 -4.54 115.29 111.41 1zit s HIS 27 Ca 0.37 -2.04 -0.30 0.00 0.47 0.00 0.00 55.06 53.57 1zit s HIS 27 Cb -0.03 -1.42 -0.05 0.00 -0.13 0.00 0.00 32.58 30.95 1zit s HIS 27 CO 0.24 -0.81 1.01 -1.25 -2.47 0.00 0.00 174.74 171.46 1zit s PRO 28 N 0.70 4.61 0.00 2.88 0.04 -1.25 -2.45 135.00 139.54 1zit s PRO 28 Ca 0.18 1.51 0.13 0.00 0.04 0.00 0.00 61.00 62.86 1zit s PRO 28 Cb -0.24 -3.39 0.26 0.00 0.04 0.00 0.00 34.50 31.18 1zit s PRO 28 CO 0.01 0.05 1.16 -3.47 0.04 0.00 0.00 177.00 174.78 1zit n ASP 29 N 3.25 2.72 0.00 6.66 2.03 -0.82 -4.99 116.55 125.41 1zit n ASP 29 Ca 0.04 -1.82 0.00 0.00 0.52 0.00 0.00 54.79 53.53 1zit n ASP 29 Cb 0.49 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1zit n THR 30 N 0.74 0.00 -2.56 5.18 -2.24 -1.26 -4.72 114.28 109.42 1zit n THR 30 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1zit n THR 30 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1zit n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zit n ALA 31 N 0.09 0.00 -0.03 6.98 0.00 0.18 -4.82 120.51 122.90 1zit n ALA 31 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1zit n ALA 31 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1zit n ALA 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1zit n LYS 32 N -0.36 0.16 -2.14 0.00 4.81 -1.25 -3.10 118.16 116.28 1zit n LYS 32 Ca 0.00 0.04 -0.04 0.00 -0.87 0.00 0.00 58.31 57.44 1zit n LYS 32 Cb 0.00 -1.12 0.01 0.00 0.02 0.00 0.00 35.03 33.94 1zit n LYS 32 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1zit n THR 33 N -2.69 0.00 -0.10 3.15 -2.24 -1.26 -1.63 114.28 109.51 1zit n THR 33 Ca -0.11 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1zit n THR 33 Cb 0.62 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 1zit n THR 33 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1zit h LEU 34 N 0.00 0.50 -0.12 3.22 3.38 -1.96 1.01 115.31 121.33 1zit h LEU 34 Ca -0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1zit h LEU 34 Cb 0.49 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1zit h LEU 34 CO 0.17 0.66 0.07 0.03 0.09 0.00 0.00 178.44 179.45 1zit h ARG 35 N 0.33 0.17 -0.12 1.13 3.08 -1.98 0.24 114.38 117.22 1zit h ARG 35 Ca 0.09 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1zit h ARG 35 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1zit h ARG 35 CO 0.01 0.20 -0.29 1.49 -1.07 0.00 0.00 179.97 180.30 1zit h GLU 36 N 0.10 0.23 0.00 0.04 4.57 -1.93 -2.30 114.58 115.30 1zit h GLU 36 Ca 0.04 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 1zit h GLU 36 Cb 0.08 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1zit h GLU 36 CO -0.01 0.51 -0.51 0.00 -1.18 0.00 0.00 179.01 177.82 1zit h ALA 37 N 1.49 1.13 -0.27 2.92 0.00 0.17 -2.47 119.26 122.22 1zit h ALA 37 Ca 0.03 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1zit h ALA 37 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1zit h ALA 37 CO 0.05 0.64 -0.15 0.93 0.00 0.00 0.00 179.25 180.72 1zit h GLU 38 N 0.00 0.57 -0.61 0.00 5.08 0.00 0.14 114.58 119.76 1zit h GLU 38 Ca -0.01 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1zit h GLU 38 Cb 0.92 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1zit h GLU 38 CO 0.07 0.83 0.38 -0.22 -1.00 0.00 0.00 179.01 179.06 1zit h LYS 39 N 0.30 0.82 -0.08 2.33 3.11 -1.34 0.85 116.57 122.56 1zit h LYS 39 Ca 0.06 -0.06 -0.17 0.00 -2.81 0.00 0.00 60.65 57.67 1zit h LYS 39 Cb 0.67 -0.18 0.01 0.00 -1.00 0.00 0.00 32.23 31.73 1zit h LYS 39 CO 0.04 0.57 -0.60 0.87 -2.81 0.00 0.00 179.45 177.53 1zit h LYS 40 N 0.84 0.54 0.00 1.90 1.57 -1.22 -3.20 116.57 117.00 1zit h LYS 40 Ca 0.22 -0.48 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1zit h LYS 40 Cb -0.04 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1zit h LYS 40 CO -0.04 1.11 -0.28 0.82 -0.57 0.00 0.00 179.45 180.48 1zit h ILE 41 N 0.14 0.62 -0.50 1.86 2.04 -0.27 -1.49 117.51 119.91 1zit h ILE 41 Ca -0.05 -1.37 0.14 0.00 1.00 0.00 0.00 64.86 64.58 1zit h ILE 41 Cb 1.25 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 1zit h ILE 41 CO 0.12 0.28 0.53 0.50 0.00 0.00 0.00 178.15 179.58 1zit h LYS 42 N 0.00 0.00 0.00 2.37 3.64 0.72 -3.32 116.57 119.98 1zit h LYS 42 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zit h LYS 42 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1zit h LYS 42 CO 0.04 0.00 -0.11 0.39 -2.27 0.00 0.00 179.45 177.50 1zit n GLU 43 N -3.69 0.00 -1.77 1.90 1.02 -1.18 -5.03 120.64 111.89 1zit n GLU 43 Ca 0.09 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 1zit n GLU 43 Cb 0.73 -0.39 -0.03 0.00 -0.02 0.00 0.00 31.44 31.73 1zit n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1zit s LEU 44 N -6.84 4.40 -1.24 -4.62 2.01 -0.57 -4.91 118.68 106.92 1zit s LEU 44 Ca 0.00 2.65 -0.15 0.00 0.01 0.00 0.00 54.13 56.64 1zit s LEU 44 Cb 0.00 -3.56 0.14 0.00 0.01 0.00 0.00 46.19 42.79 1zit s LEU 44 CO 0.00 -0.99 1.52 0.33 1.01 0.00 0.00 176.35 178.23 1zit n PHE 45 N 6.19 4.88 -2.33 0.29 7.35 -1.26 -4.36 117.46 128.21 1zit n PHE 45 Ca 0.18 -3.22 -0.43 0.00 -0.76 0.00 0.00 57.45 53.22 1zit n PHE 45 Cb 0.40 -2.31 -0.02 0.00 0.35 0.00 0.00 39.48 37.89 1zit n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1zit s PHE 46 N 2.27 2.56 -0.42 -5.13 0.08 -1.26 -4.88 117.98 111.20 1zit s PHE 46 Ca 0.46 0.80 0.26 0.00 0.12 0.00 0.00 56.93 58.57 1zit s PHE 46 Cb -0.01 -3.83 0.97 0.00 -0.57 0.00 0.00 43.02 39.57 1zit s PHE 46 CO 0.02 -2.08 1.77 -1.00 -0.10 0.00 0.00 175.22 173.84 1zit h PRO 47 N 9.38 0.00 -3.00 0.24 0.13 -1.81 -3.43 132.00 133.51 1zit h PRO 47 Ca -0.28 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.67 1zit h PRO 47 Cb 1.11 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.96 1zit h PRO 47 CO 1.01 0.00 -0.45 0.08 -0.23 0.00 0.00 178.00 178.41 1zit s VAL 48 N -3.33 -0.03 0.28 1.56 1.01 -1.25 0.73 120.40 119.37 1zit s VAL 48 Ca 0.05 0.11 0.11 0.00 0.00 0.00 0.00 61.98 62.26 1zit s VAL 48 Cb 0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1zit s VAL 48 CO 0.49 0.04 -0.15 -0.63 0.00 0.00 0.00 175.10 174.86 1zit s ILE 49 N 1.02 2.73 -0.31 2.22 -1.09 0.21 0.87 121.20 126.85 1zit s ILE 49 Ca -0.07 -2.28 0.01 0.00 -2.23 0.00 0.00 60.65 56.08 1zit s ILE 49 Cb -0.08 -2.44 0.14 0.00 -1.58 0.00 0.00 42.46 38.50 1zit s ILE 49 CO -0.07 -0.39 0.33 -0.69 -1.23 0.00 0.00 174.94 172.89 1zit s VAL 50 N -2.46 -0.40 -0.00 2.92 1.01 0.26 -2.56 120.40 119.16 1zit s VAL 50 Ca 0.30 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1zit s VAL 50 Cb -0.05 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1zit s VAL 50 CO 0.16 -0.49 0.96 -0.22 0.00 0.00 0.00 175.10 175.52 1zit s LEU 51 N 2.09 4.37 -0.58 3.92 2.96 -1.26 -0.22 118.68 129.96 1zit s LEU 51 Ca 0.12 1.63 0.01 0.00 -0.22 0.00 0.00 54.13 55.67 1zit s LEU 51 Cb -0.14 -3.54 0.15 0.00 0.50 0.00 0.00 46.19 43.15 1zit s LEU 51 CO -0.24 -0.25 0.35 -1.81 -1.32 0.00 0.00 176.35 173.09 1zit s ASP 52 N 0.99 4.74 -0.55 3.68 1.11 0.38 0.80 116.67 127.81 1zit s ASP 52 Ca 0.51 -2.99 -0.18 0.00 0.18 0.00 0.00 52.55 50.07 1zit s ASP 52 Cb -0.21 -1.74 -0.17 0.00 1.07 0.00 0.00 42.92 41.88 1zit s ASP 52 CO 0.27 -0.28 1.79 1.33 1.18 0.00 0.00 175.17 179.46 1zit n VAL 53 N 3.21 1.36 0.00 -1.27 0.24 -1.24 -3.91 118.33 116.72 1zit n VAL 53 Ca 0.07 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.32 1zit n VAL 53 Cb 0.35 -2.13 0.00 0.00 -1.47 0.00 0.00 33.84 30.59 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1zit n TRP 54 N 6.87 0.00 -2.34 6.34 -0.00 -1.26 -4.83 117.44 122.23 1zit n TRP 54 Ca 0.43 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.95 1zit n TRP 54 Cb 0.31 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.68 1zit n TRP 54 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 1zit n MET 55 N 0.00 0.82 -0.05 5.87 0.00 -1.26 -5.08 117.12 117.41 1zit n MET 55 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 57.70 55.06 1zit n MET 55 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 33.22 32.49 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1zit n PRO 56 N -0.08 0.63 -0.65 2.12 -0.04 -1.26 -5.01 135.00 130.71 1zit n PRO 56 Ca 0.11 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.59 1zit n PRO 56 Cb 0.99 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.65 1zit n PRO 56 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1zit n ASP 57 N -1.55 2.22 0.00 3.54 2.03 -1.26 -4.90 116.55 116.62 1zit n ASP 57 Ca 0.00 -3.74 0.00 0.00 0.52 0.00 0.00 54.79 51.57 1zit n ASP 57 Cb 0.00 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zit n GLY 58 N -1.12 1.44 3.63 0.27 0.00 -1.26 -4.94 105.19 103.22 1zit n GLY 58 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 1zit n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zit n ASP 59 N 0.00 -3.07 -4.39 1.61 8.00 -1.26 -4.94 116.55 112.51 1zit n ASP 59 Ca 0.00 -0.70 -0.45 0.00 0.71 0.00 0.00 54.79 54.36 1zit n ASP 59 Cb 0.00 -4.56 -0.06 0.00 -0.02 0.00 0.00 41.12 36.48 1zit n ASP 59 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1zit s GLY 60 N -3.98 1.95 0.23 0.44 0.00 -1.26 -4.92 107.32 99.77 1zit s GLY 60 Ca 0.23 -2.10 -0.08 0.00 0.00 0.00 0.00 44.72 42.77 1zit s GLY 60 CO 0.77 1.25 1.87 -2.08 0.00 0.00 0.00 173.10 174.91 1zit h VAL 61 N 5.82 1.25 0.00 1.40 2.07 -1.92 -1.04 116.25 123.83 1zit h VAL 61 Ca -0.29 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1zit h VAL 61 Cb 1.10 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1zit h VAL 61 CO 0.95 0.26 0.00 -3.20 0.02 0.00 0.00 177.57 175.61 1zit n ASN 62 N -4.39 0.42 -0.34 0.57 4.05 -1.26 -3.01 115.26 111.30 1zit n ASN 62 Ca 0.09 0.62 0.09 0.00 0.45 0.00 0.00 54.58 55.83 1zit n ASN 62 Cb 0.07 -0.70 0.28 0.00 1.23 0.00 0.00 39.78 40.66 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 1zit h PHE 63 N 0.00 1.06 -0.98 1.20 3.57 -1.59 -0.02 116.94 120.18 1zit h PHE 63 Ca 0.00 0.03 0.28 0.00 3.53 0.00 0.00 57.97 61.81 1zit h PHE 63 Cb 0.26 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1zit h PHE 63 CO 0.00 0.40 0.72 0.82 -2.23 0.00 0.00 178.31 178.02 1zit h ILE 64 N 0.90 0.49 -0.00 1.41 2.04 -1.71 0.55 117.51 121.19 1zit h ILE 64 Ca 0.49 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 66.14 1zit h ILE 64 Cb 0.57 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1zit h ILE 64 CO -0.26 0.00 -0.89 -0.78 0.00 0.00 0.00 178.15 176.22 1zit h ASP 65 N 0.00 0.39 -0.27 1.72 1.82 -1.24 -3.06 116.42 115.77 1zit h ASP 65 Ca 0.47 -0.31 0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1zit h ASP 65 Cb 1.89 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.77 1zit h ASP 65 CO -0.00 1.10 0.16 0.15 -1.61 0.00 0.00 179.24 179.04 1zit h PHE 66 N 0.17 0.31 -0.67 0.28 3.57 0.11 1.20 116.94 121.91 1zit h PHE 66 Ca -0.06 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.48 1zit h PHE 66 Cb 1.52 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 40.12 1zit h PHE 66 CO 0.04 0.19 0.41 0.82 -2.23 0.00 0.00 178.31 177.54 1zit h ILE 67 N 0.34 1.07 0.00 1.41 5.03 -1.51 -1.13 117.51 122.72 1zit h ILE 67 Ca 0.10 -0.27 -0.05 0.00 -0.12 0.00 0.00 64.86 64.52 1zit h ILE 67 Cb -0.01 0.21 -0.01 0.00 -3.03 0.00 0.00 36.82 33.97 1zit h ILE 67 CO -0.04 0.14 -0.24 0.11 -0.68 0.00 0.00 178.15 177.44 1zit h LYS 68 N 0.79 0.00 -0.29 2.37 1.79 -1.33 0.97 116.57 120.87 1zit h LYS 68 Ca 0.27 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.68 1zit h LYS 68 Cb 0.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1zit h LYS 68 CO -0.12 0.24 -0.09 1.49 -1.08 0.00 0.00 179.45 179.90 1zit h GLU 69 N 0.00 0.48 0.00 3.15 4.81 0.27 -3.19 114.58 120.10 1zit h GLU 69 Ca -0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1zit h GLU 69 Cb 1.04 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1zit h GLU 69 CO 0.03 0.58 -0.21 0.09 -0.73 0.00 0.00 179.01 178.77 1zit n ASN 70 N -4.23 1.20 -2.70 1.04 3.02 -0.88 -4.91 115.26 107.81 1zit n ASN 70 Ca 0.01 -2.43 -0.05 0.00 -0.03 0.00 0.00 54.58 52.08 1zit n ASN 70 Cb 0.29 -0.28 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 1zit n ASN 70 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1zit n SER 71 N -0.69 -2.12 -0.04 6.41 2.88 0.33 -5.00 113.62 115.40 1zit n SER 71 Ca 0.07 -2.03 0.14 0.00 -1.33 0.00 0.00 58.87 55.72 1zit n SER 71 Cb 0.63 1.15 0.52 0.00 -0.75 0.00 0.00 64.21 65.77 1zit n SER 71 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1zit n PRO 72 N 2.22 0.25 -0.35 -1.46 -0.05 -1.22 -3.49 135.00 130.90 1zit n PRO 72 Ca 0.10 -0.08 0.08 0.00 -0.05 0.00 0.00 63.50 63.55 1zit n PRO 72 Cb 0.64 -1.50 0.24 0.00 -0.05 0.00 0.00 33.50 32.83 1zit n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1zit n ASP 73 N -1.31 3.64 -0.59 3.54 2.03 -1.26 -4.98 116.55 117.62 1zit n ASP 73 Ca 0.09 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 53.11 1zit n ASP 73 Cb 0.31 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 1zit n ASP 73 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1zit n SER 74 N 0.59 0.00 -3.73 1.67 3.41 -1.23 -4.90 113.62 109.43 1zit n SER 74 Ca 0.18 -0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.66 1zit n SER 74 Cb 0.64 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1zit s VAL 75 N 1.61 -0.02 -0.30 -3.33 1.01 0.22 -4.88 120.40 114.71 1zit s VAL 75 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1zit s VAL 75 Cb 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 36.38 35.96 1zit s VAL 75 CO 0.00 0.03 -0.00 -0.69 0.00 0.00 0.00 175.10 174.43 1zit s VAL 76 N 0.82 2.94 -0.20 2.92 1.01 -1.26 0.67 120.40 127.29 1zit s VAL 76 Ca -0.05 -1.41 -0.20 0.00 0.00 0.00 0.00 61.98 60.32 1zit s VAL 76 Cb -0.06 -2.70 -0.17 0.00 0.00 0.00 0.00 36.38 33.45 1zit s VAL 76 CO -0.06 -0.11 0.15 -0.38 0.00 0.00 0.00 175.10 174.70 1zit n ILE 77 N 4.61 1.52 -2.77 2.22 2.08 -1.06 0.13 119.36 126.10 1zit n ILE 77 Ca -0.13 -0.02 -0.03 0.00 0.56 0.00 0.00 62.75 63.13 1zit n ILE 77 Cb 0.43 -2.07 -0.03 0.00 -0.75 0.00 0.00 39.64 37.22 1zit n ILE 77 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1zit n VAL 78 N -4.44 -9.50 -3.14 1.39 0.31 -1.26 -4.38 118.33 97.31 1zit n VAL 78 Ca -0.31 1.88 -0.00 0.00 -0.01 0.00 0.00 64.34 65.90 1zit n VAL 78 Cb 0.65 -5.52 0.00 0.00 -0.91 0.00 0.00 33.84 28.05 1zit n VAL 78 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1zit n ILE 79 N 1.68 0.00 -1.16 2.52 5.41 0.24 -4.38 119.36 123.66 1zit n ILE 79 Ca -0.23 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1zit n ILE 79 Cb 0.39 -0.86 0.00 0.00 -0.71 0.00 0.00 39.64 38.47 1zit n ILE 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1zit n THR 80 N -0.89 -4.99 0.00 1.39 -1.04 -1.26 -3.60 114.28 103.90 1zit n THR 80 Ca 0.00 0.85 0.00 0.00 -2.04 0.00 0.00 64.05 62.86 1zit n THR 80 Cb 0.01 -3.43 0.00 0.00 -1.82 0.00 0.00 70.33 65.09 1zit n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zit n GLY 81 N 0.48 -1.74 0.10 3.41 0.00 -1.26 -4.51 105.19 101.66 1zit n GLY 81 Ca 0.00 0.76 -0.17 0.00 0.00 0.00 0.00 46.02 46.61 1zit n GLY 81 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1zit n HIS 82 N 0.00 0.68 -1.40 1.61 8.25 -1.26 -4.45 115.22 118.64 1zit n HIS 82 Ca 0.00 0.29 -0.28 0.00 -0.26 0.00 0.00 57.72 57.47 1zit n HIS 82 Cb 0.00 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.21 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1zit n GLY 83 N 1.46 4.71 2.69 -1.41 0.00 -1.26 -4.59 105.19 106.79 1zit n GLY 83 Ca -0.27 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1zit n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zit s SER 84 N -0.25 -0.14 0.00 1.61 1.04 -1.26 -5.01 113.70 109.68 1zit s SER 84 Ca 0.52 -0.11 0.11 0.00 0.48 0.00 0.00 55.95 56.95 1zit s SER 84 Cb 0.38 0.18 0.36 0.00 0.10 0.00 0.00 66.02 67.04 1zit s SER 84 CO -0.18 -0.01 1.28 1.33 0.98 0.00 0.00 173.24 176.65 1zit n VAL 85 N 3.19 0.39 0.83 5.02 0.24 -1.26 -3.59 118.33 123.16 1zit n VAL 85 Ca 0.07 -0.41 0.10 0.00 -2.04 0.00 0.00 64.34 62.06 1zit n VAL 85 Cb 0.65 0.22 0.05 0.00 -1.47 0.00 0.00 33.84 33.29 1zit n VAL 85 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1zit n ASP 86 N 0.39 2.32 -0.01 -1.34 9.92 -1.26 -4.25 116.55 122.32 1zit n ASP 86 Ca 0.11 -1.66 -0.18 0.00 -0.53 0.00 0.00 54.79 52.54 1zit n ASP 86 Cb 0.27 0.19 -0.14 0.00 -0.64 0.00 0.00 41.12 40.80 1zit n ASP 86 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1zit n THR 87 N 0.65 1.73 0.35 -3.53 5.66 -1.24 -3.40 114.28 114.50 1zit n THR 87 Ca 0.10 -0.70 -0.18 0.00 -3.05 0.00 0.00 64.05 60.23 1zit n THR 87 Cb 0.46 -1.52 -0.09 0.00 -1.55 0.00 0.00 70.33 67.63 1zit n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1zit h ALA 88 N 0.34 -0.96 -0.16 1.79 0.00 -1.76 -1.60 119.26 116.91 1zit h ALA 88 Ca -0.39 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.37 1zit h ALA 88 Cb 2.03 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 20.27 1zit h ALA 88 CO 0.08 -1.05 0.12 -0.39 0.00 0.00 0.00 179.25 178.01 1zit h VAL 89 N -0.95 0.85 0.00 0.00 -1.51 -1.75 1.15 116.25 114.04 1zit h VAL 89 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1zit h VAL 89 Cb 0.76 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1zit h VAL 89 CO 0.09 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.60 1zit n LYS 90 N -4.38 0.25 -0.05 5.19 4.81 -0.85 -4.04 118.16 119.10 1zit n LYS 90 Ca 0.01 0.29 -0.08 0.00 -0.87 0.00 0.00 58.31 57.65 1zit n LYS 90 Cb 0.25 -1.84 -0.04 0.00 0.02 0.00 0.00 35.03 33.42 1zit n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zit n ALA 91 N -1.80 2.07 -1.00 3.14 0.00 0.24 -4.93 120.51 118.23 1zit n ALA 91 Ca 0.04 -0.39 -0.28 0.00 0.00 0.00 0.00 53.44 52.81 1zit n ALA 91 Cb 0.37 0.33 0.20 0.00 0.00 0.00 0.00 19.45 20.35 1zit n ALA 91 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1zit s ILE 92 N -2.18 2.02 0.00 0.00 -4.36 0.37 -3.59 121.20 113.45 1zit s ILE 92 Ca -0.13 0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.26 1zit s ILE 92 Cb 0.04 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.37 1zit s ILE 92 CO 0.19 -0.01 0.00 0.29 0.24 0.00 0.00 174.94 175.66 1zit n LYS 93 N -4.41 0.00 0.20 0.37 5.02 -1.26 -4.53 118.16 113.55 1zit n LYS 93 Ca 0.04 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.48 1zit n LYS 93 Cb 0.57 -0.09 0.67 0.00 -0.02 0.00 0.00 35.03 36.16 1zit n LYS 93 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1zit h LYS 94 N 0.00 0.00 0.00 1.97 3.64 -1.90 -3.43 116.57 116.86 1zit h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zit h LYS 94 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1zit h LYS 94 CO 0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 1zit n GLY 95 N -0.59 0.31 2.79 5.01 0.00 -1.26 -5.00 105.19 106.44 1zit n GLY 95 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit n ALA 96 N 0.00 -4.56 -1.40 4.61 0.00 -1.26 -4.58 120.51 113.33 1zit n ALA 96 Ca 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 53.44 52.13 1zit n ALA 96 Cb 0.00 -0.12 0.20 0.00 0.00 0.00 0.00 19.45 19.53 1zit n ALA 96 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1zit n TYR 97 N -5.46 0.61 0.00 0.00 9.36 0.36 -4.29 117.16 117.74 1zit n TYR 97 Ca 0.12 -1.42 0.00 0.00 3.32 0.00 0.00 57.90 59.92 1zit n TYR 97 Cb 0.52 -0.36 0.00 0.00 -0.63 0.00 0.00 39.34 38.87 1zit n TYR 97 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1zit n GLU 98 N -1.09 0.00 -2.79 2.98 0.28 -1.26 -4.85 120.64 113.91 1zit n GLU 98 Ca 0.26 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.83 1zit n GLU 98 Cb 0.87 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.70 1zit n GLU 98 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1zit s PHE 99 N -3.09 2.59 0.13 -1.84 0.40 -1.26 -4.68 117.98 110.23 1zit s PHE 99 Ca 0.00 -0.41 -0.31 0.00 -0.60 0.00 0.00 56.93 55.61 1zit s PHE 99 Cb 0.00 -4.36 -0.08 0.00 0.51 0.00 0.00 43.02 39.09 1zit s PHE 99 CO 0.00 -1.73 1.32 -1.17 0.70 0.00 0.00 175.22 174.33 1zit s LEU 100 N 4.44 4.39 0.00 -0.37 2.96 -1.26 -5.02 118.68 123.81 1zit s LEU 100 Ca 0.25 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 1zit s LEU 100 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1zit s LEU 100 CO 0.12 -0.57 0.00 -0.62 -1.32 0.00 0.00 176.35 173.96 1zit n GLU 101 N 3.51 -1.44 -2.64 1.98 -0.58 -1.26 -4.50 120.64 115.70 1zit n GLU 101 Ca 0.09 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.74 1zit n GLU 101 Cb 0.43 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.34 1zit n GLU 101 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1zit n LYS 102 N -1.71 1.88 -2.67 3.49 4.76 -1.26 -4.84 118.16 117.81 1zit n LYS 102 Ca 0.00 -3.59 -0.40 0.00 -2.87 0.00 0.00 58.31 51.45 1zit n LYS 102 Cb 0.00 -1.60 -0.05 0.00 -1.84 0.00 0.00 35.03 31.54 1zit n LYS 102 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1zit s PRO 103 N -3.47 4.77 -1.48 1.97 0.04 -1.26 -3.61 135.00 131.95 1zit s PRO 103 Ca 0.32 1.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.86 1zit s PRO 103 Cb 0.40 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.68 1zit s PRO 103 CO -0.02 0.37 0.79 0.34 0.04 0.00 0.00 177.00 178.52 1zit n PHE 104 N 1.69 -2.23 -4.66 0.56 -0.00 -1.26 -4.07 117.46 107.48 1zit n PHE 104 Ca -0.01 0.69 0.00 0.00 -0.00 0.00 0.00 57.45 58.13 1zit n PHE 104 Cb 0.47 -4.44 0.00 0.00 -0.00 0.00 0.00 39.48 35.51 1zit n PHE 104 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1zit n SER 105 N -2.66 -3.88 0.31 -2.13 7.64 -1.24 -3.57 113.62 108.09 1zit n SER 105 Ca -0.06 0.00 0.21 0.00 1.01 0.00 0.00 58.87 60.03 1zit n SER 105 Cb 0.59 0.00 1.04 0.00 -1.01 0.00 0.00 64.21 64.83 1zit n SER 105 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1zit h VAL 106 N 0.00 0.00 -1.23 0.44 3.04 -1.87 -2.89 116.25 113.74 1zit h VAL 106 Ca 0.00 -0.14 0.36 0.00 -1.01 0.00 0.00 66.70 65.91 1zit h VAL 106 Cb 0.00 1.11 -0.10 0.00 -2.01 0.00 0.00 31.29 30.30 1zit h VAL 106 CO 0.00 0.00 0.82 -0.08 -1.01 0.00 0.00 177.57 177.30 1zit h GLU 107 N 0.00 0.18 -0.07 4.17 4.81 -1.85 0.87 114.58 122.68 1zit h GLU 107 Ca 0.00 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 58.98 1zit h GLU 107 Cb 0.14 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1zit h GLU 107 CO 0.00 0.12 -0.89 -0.09 -0.73 0.00 0.00 179.01 177.42 1zit h ARG 108 N 0.18 0.68 -0.38 1.92 1.12 -1.65 -3.07 114.38 113.18 1zit h ARG 108 Ca 0.69 -0.63 0.11 0.00 -1.11 0.00 0.00 59.98 59.04 1zit h ARG 108 Cb 2.18 0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 32.28 1zit h ARG 108 CO -0.27 1.24 0.30 0.35 -3.11 0.00 0.00 179.97 178.48 1zit h PHE 109 N 0.43 0.00 -1.01 2.20 3.04 0.57 -1.29 116.94 120.88 1zit h PHE 109 Ca -0.08 0.00 0.26 0.00 3.98 0.00 0.00 57.97 62.13 1zit h PHE 109 Cb 1.52 0.00 -0.13 0.00 2.56 0.00 0.00 35.95 39.91 1zit h PHE 109 CO 0.09 0.00 0.60 1.25 -2.02 0.00 0.00 178.31 178.23 1zit h LEU 110 N 0.00 0.62 0.64 0.59 6.46 -1.30 -1.10 115.31 121.22 1zit h LEU 110 Ca 0.18 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 58.05 1zit h LEU 110 Cb 0.78 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 1zit h LEU 110 CO -0.00 0.06 -0.41 -0.07 -0.62 0.00 0.00 178.44 177.40 1zit h LEU 111 N 0.52 -1.04 -0.89 2.25 4.07 -1.43 -2.66 115.31 116.13 1zit h LEU 111 Ca 0.66 0.06 0.24 0.00 0.08 0.00 0.00 57.88 58.92 1zit h LEU 111 Cb 1.35 0.31 -0.14 0.00 1.08 0.00 0.00 40.66 43.25 1zit h LEU 111 CO -0.48 -0.63 0.30 0.74 -1.08 0.00 0.00 178.44 177.30 1zit h THR 112 N -0.99 0.35 0.14 0.22 2.02 -1.36 0.70 112.91 113.98 1zit h THR 112 Ca -0.08 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1zit h THR 112 Cb 0.81 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1zit h THR 112 CO 0.07 0.05 -0.19 0.40 0.37 0.00 0.00 175.52 176.22 1zit h ILE 113 N 0.26 0.00 0.00 3.11 1.08 -1.15 0.93 117.51 121.74 1zit h ILE 113 Ca 0.57 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.04 1zit h ILE 113 Cb 1.16 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 1zit h ILE 113 CO -0.62 0.00 0.14 0.50 -0.69 0.00 0.00 178.15 177.47 1zit h LYS 114 N -0.34 0.00 0.00 2.37 3.11 -1.06 0.37 116.57 121.02 1zit h LYS 114 Ca -0.02 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.63 1zit h LYS 114 Cb 0.30 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.50 1zit h LYS 114 CO -0.05 0.00 -1.47 0.72 -2.81 0.00 0.00 179.45 175.84 1zit n HIS 115 N -2.39 0.99 0.07 1.91 8.25 0.16 -3.19 115.22 121.02 1zit n HIS 115 Ca -0.02 0.33 -0.22 0.00 -0.26 0.00 0.00 57.72 57.56 1zit n HIS 115 Cb 0.17 -1.11 -0.13 0.00 1.12 0.00 0.00 29.99 30.05 1zit n HIS 115 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zit h ALA 116 N 1.35 0.00 0.00 -1.41 0.00 0.50 -3.25 119.26 116.45 1zit h ALA 116 Ca -0.19 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1zit h ALA 116 Cb 1.66 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1zit h ALA 116 CO 0.05 0.63 0.00 0.74 0.00 0.00 0.00 179.25 180.67 1zit h PHE 117 N 0.20 0.00 0.00 0.00 0.04 -1.48 -3.07 116.94 112.63 1zit h PHE 117 Ca -0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1zit h PHE 117 Cb 1.81 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.96 1zit h PHE 117 CO 0.12 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 175.92 1zit n GLU 118 N -2.94 0.19 -1.16 1.51 2.13 -1.19 -3.43 120.64 115.75 1zit n GLU 118 Ca 0.03 0.13 -0.24 0.00 0.66 0.00 0.00 57.16 57.75 1zit n GLU 118 Cb 0.43 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.67 1zit n GLU 118 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1zit n GLU 119 N -1.34 2.16 -0.96 5.31 1.02 -1.16 -3.89 120.64 121.78 1zit n GLU 119 Ca 0.08 -2.19 -0.04 0.00 -0.02 0.00 0.00 57.16 54.98 1zit n GLU 119 Cb 0.16 -1.90 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 1zit n GLU 119 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1zit n TYR 120 N 0.12 -0.15 -1.71 -0.32 4.19 -1.22 -5.14 117.16 112.94 1zit n TYR 120 Ca 0.42 -0.38 0.00 0.00 3.31 0.00 0.00 57.90 61.25 1zit n TYR 120 Cb 0.57 0.49 0.00 0.00 0.49 0.00 0.00 39.34 40.89 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22