#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shz n GLY 17 N 0.00 3.71 3.73 0.55 0.00 -1.26 -5.16 105.19 106.75 1shz n GLY 17 Ca 0.00 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 1shz n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1shz s LEU 18 N 0.00 3.15 -0.02 0.99 1.43 -1.26 -5.13 118.68 117.84 1shz s LEU 18 Ca 0.00 -0.97 -0.08 0.00 -1.03 0.00 0.00 54.13 52.06 1shz s LEU 18 Cb 0.00 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.70 1shz s LEU 18 CO 0.00 -0.43 0.17 -0.69 0.23 0.00 0.00 176.35 175.63 1shz s VAL 19 N -2.53 0.05 0.26 -1.59 1.01 -1.26 -5.16 120.40 111.18 1shz s VAL 19 Ca 0.39 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 1shz s VAL 19 Cb 0.01 -0.39 -0.08 0.00 0.00 0.00 0.00 36.38 35.92 1shz s VAL 19 CO 0.22 -0.24 0.71 -2.16 0.00 0.00 0.00 175.10 173.64 1shz s PRO 20 N -0.85 4.13 0.40 2.72 0.04 -1.26 -5.06 135.00 135.12 1shz s PRO 20 Ca -0.09 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 61.46 1shz s PRO 20 Cb -0.05 -2.70 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 1shz s PRO 20 CO 0.01 0.30 1.08 0.08 0.04 0.00 0.00 177.00 178.52 1shz s VAL 21 N -1.71 3.54 -0.05 -0.36 1.01 -1.26 -5.00 120.40 116.58 1shz s VAL 21 Ca 0.47 1.21 -0.05 0.00 0.00 0.00 0.00 61.98 63.61 1shz s VAL 21 Cb -0.14 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1shz s VAL 21 CO 0.19 0.03 0.24 0.28 0.00 0.00 0.00 175.10 175.85 1shz h SER 22 N 2.51 -0.14 -3.00 3.32 0.02 -2.08 -3.46 113.55 110.72 1shz h SER 22 Ca -0.48 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.81 1shz h SER 22 Cb 1.22 0.04 -0.11 0.00 0.14 0.00 0.00 62.40 63.68 1shz h SER 22 CO 0.62 0.19 -0.54 -0.63 -1.14 0.00 0.00 176.83 175.33 1shz s ILE 23 N -2.01 4.98 0.19 3.27 1.01 -1.26 -5.07 121.20 122.31 1shz s ILE 23 Ca -0.02 0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 1shz s ILE 23 Cb 0.00 -3.16 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 1shz s ILE 23 CO 0.07 0.58 1.48 -0.63 0.00 0.00 0.00 174.94 176.45 1shz s ILE 24 N -0.69 2.75 -0.17 2.92 1.09 -1.26 -5.01 121.20 120.82 1shz s ILE 24 Ca 0.12 0.57 -0.10 0.00 -1.10 0.00 0.00 60.65 60.14 1shz s ILE 24 Cb -0.12 -3.37 -0.05 0.00 -1.06 0.00 0.00 42.46 37.87 1shz s ILE 24 CO 0.03 0.07 0.18 -0.83 -0.10 0.00 0.00 174.94 174.28 1shz s GLY 25 N 0.79 2.11 0.30 6.18 0.00 -1.26 -5.00 107.32 110.43 1shz s GLY 25 Ca 0.64 -0.61 0.05 0.00 0.00 0.00 0.00 44.72 44.80 1shz s GLY 25 CO 0.36 0.11 1.67 0.00 0.00 0.00 0.00 173.10 175.24 1shz h ALA 26 N 6.30 1.45 -0.92 3.20 0.00 -2.07 -2.34 119.26 124.88 1shz h ALA 26 Ca -0.44 0.20 -0.61 0.00 0.00 0.00 0.00 54.91 54.05 1shz h ALA 26 Cb 1.17 0.23 -0.37 0.00 0.00 0.00 0.00 17.79 18.82 1shz h ALA 26 CO 0.72 -0.44 -0.08 0.39 0.00 0.00 0.00 179.25 179.84 1shz n GLU 27 N -5.13 3.21 0.06 0.00 1.02 -1.26 -4.67 120.64 113.87 1shz n GLU 27 Ca 0.23 -3.84 -0.17 0.00 -0.02 0.00 0.00 57.16 53.36 1shz n GLU 27 Cb 0.73 -2.28 -0.14 0.00 -0.02 0.00 0.00 31.44 29.72 1shz n GLU 27 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1shz h ASP 28 N 2.20 0.40 0.90 1.62 3.32 -1.82 -3.29 116.42 119.73 1shz h ASP 28 Ca 0.46 -0.56 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1shz h ASP 28 Cb 1.13 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1shz h ASP 28 CO 1.11 1.47 -0.00 -0.33 -1.72 0.00 0.00 179.24 179.77 1shz h GLU 29 N 0.07 0.00 0.00 3.56 5.08 -1.83 -1.87 114.58 119.59 1shz h GLU 29 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1shz h GLU 29 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1shz h GLU 29 CO 0.16 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 177.73 1shz h ASP 30 N 0.00 0.00 -0.77 1.42 5.19 -1.90 -3.13 116.42 117.23 1shz h ASP 30 Ca -0.00 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.02 1shz h ASP 30 Cb 0.45 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.55 1shz h ASP 30 CO 0.00 0.00 -1.01 0.49 -3.12 0.00 0.00 179.24 175.61 1shz n PHE 31 N -2.64 1.92 -0.13 4.55 3.01 -0.72 -4.91 117.46 118.54 1shz n PHE 31 Ca 0.02 -2.42 -0.11 0.00 1.01 0.00 0.00 57.45 55.95 1shz n PHE 31 Cb 0.28 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 39.46 1shz n PHE 31 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1shz h GLU 32 N 2.57 0.69 -0.51 -1.08 5.08 -1.47 -3.16 114.58 116.71 1shz h GLU 32 Ca 0.06 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1shz h GLU 32 Cb 1.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1shz h GLU 32 CO 0.49 0.82 0.00 0.09 -1.00 0.00 0.00 179.01 179.40 1shz n ASN 33 N -4.43 2.85 -0.03 1.42 4.13 -1.26 -3.90 115.26 114.04 1shz n ASN 33 Ca -0.01 -1.98 0.05 0.00 1.68 0.00 0.00 54.58 54.31 1shz n ASN 33 Cb 0.31 -0.34 -0.16 0.00 -1.54 0.00 0.00 39.78 38.05 1shz n ASN 33 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1shz n GLU 34 N 1.06 0.67 -0.90 3.52 -0.58 -1.20 -4.97 120.64 118.24 1shz n GLU 34 Ca 0.18 -0.13 -0.18 0.00 -0.42 0.00 0.00 57.16 56.61 1shz n GLU 34 Cb 0.46 -1.53 0.14 0.00 -0.57 0.00 0.00 31.44 29.94 1shz n GLU 34 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1shz n LEU 35 N -2.43 0.00 -2.78 -4.62 4.77 -1.22 -4.78 117.00 105.95 1shz n LEU 35 Ca -0.12 -0.81 -0.01 0.00 -0.03 0.00 0.00 56.01 55.04 1shz n LEU 35 Cb 0.74 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1shz n LEU 35 CO 0.45 -1.43 -0.45 -0.62 -1.33 0.00 0.00 177.39 174.01 1shz n GLU 36 N -3.20 -3.14 0.00 3.23 1.02 -1.26 -5.10 120.64 112.19 1shz n GLU 36 Ca 0.10 2.57 0.00 0.00 -0.02 0.00 0.00 57.16 59.81 1shz n GLU 36 Cb 0.36 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 26.74 1shz n GLU 36 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1shz n THR 37 N 0.65 0.00 -3.23 2.62 -1.04 -1.26 -5.17 114.28 106.85 1shz n THR 37 Ca 0.01 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.64 1shz n THR 37 Cb 0.09 -0.10 -0.02 0.00 -1.82 0.00 0.00 70.33 68.48 1shz n THR 37 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1shz n SER 44 N 0.00 5.39 -0.00 8.00 7.64 -1.26 -5.03 113.62 128.36 1shz n SER 44 Ca 0.00 -3.35 0.09 0.00 1.01 0.00 0.00 58.87 56.62 1shz n SER 44 Cb 0.00 -1.10 -0.13 0.00 -1.01 0.00 0.00 64.21 61.97 1shz n SER 44 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1shz n GLN 45 N 1.46 0.71 -2.94 1.43 -0.06 -1.26 -4.60 117.38 112.12 1shz n GLN 45 Ca 0.26 -0.09 -0.19 0.00 -2.00 0.00 0.00 57.00 54.99 1shz n GLN 45 Cb 0.36 -1.42 -0.02 0.00 -4.06 0.00 0.00 30.24 25.11 1shz n GLN 45 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1shz n PHE 46 N -1.79 1.62 -0.01 3.69 3.01 -1.26 -4.55 117.46 118.17 1shz n PHE 46 Ca 0.00 -3.57 -0.12 0.00 1.01 0.00 0.00 57.45 54.77 1shz n PHE 46 Cb 0.39 -0.39 -0.14 0.00 -0.01 0.00 0.00 39.48 39.33 1shz n PHE 46 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1shz h GLN 47 N 2.95 0.08 -3.84 -1.08 1.08 -1.94 -3.45 115.11 108.91 1shz h GLN 47 Ca 0.09 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 57.04 1shz h GLN 47 Cb 0.90 0.05 -0.16 0.00 -0.05 0.00 0.00 27.48 28.22 1shz h GLN 47 CO 0.61 0.72 -0.48 -1.54 -0.95 0.00 0.00 178.83 177.19 1shz s SER 48 N -6.39 0.19 0.27 1.46 1.04 -1.26 -5.03 113.70 103.97 1shz s SER 48 Ca -0.09 -0.62 0.09 0.00 0.48 0.00 0.00 55.95 55.82 1shz s SER 48 Cb 0.08 0.27 0.35 0.00 0.10 0.00 0.00 66.02 66.82 1shz s SER 48 CO 0.81 -0.60 1.61 0.25 0.98 0.00 0.00 173.24 176.29 1shz h LEU 49 N 3.25 0.05 -2.65 2.42 5.85 -1.95 -2.66 115.31 119.61 1shz h LEU 49 Ca -0.33 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1shz h LEU 49 Cb 1.18 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1shz h LEU 49 CO 0.54 0.64 -0.00 -0.08 -0.34 0.00 0.00 178.44 179.20 1shz h GLU 50 N 0.04 0.00 0.03 1.25 4.57 -1.99 -0.23 114.58 118.24 1shz h GLU 50 Ca -0.01 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.97 1shz h GLU 50 Cb 1.07 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 1shz h GLU 50 CO 0.08 0.00 -1.10 0.37 -1.18 0.00 0.00 179.01 177.18 1shz h GLN 51 N 0.00 0.05 0.00 1.92 4.15 -1.86 -3.39 115.11 115.98 1shz h GLN 51 Ca -0.00 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1shz h GLN 51 Cb 0.11 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1shz h GLN 51 CO 0.00 1.04 -0.21 -0.24 -1.93 0.00 0.00 178.83 177.49 1shz h VAL 52 N -0.83 0.06 0.00 2.39 3.04 -1.47 -3.33 116.25 116.11 1shz h VAL 52 Ca -0.28 -1.09 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1shz h VAL 52 Cb 1.37 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 32.59 1shz h VAL 52 CO -0.11 0.03 0.10 2.29 -1.01 0.00 0.00 177.57 178.87 1shz n LYS 53 N -3.04 0.09 -0.05 4.17 2.85 -0.11 -0.65 118.16 121.42 1shz n LYS 53 Ca 0.03 0.57 -0.09 0.00 -1.05 0.00 0.00 58.31 57.77 1shz n LYS 53 Cb 0.55 -1.91 -0.15 0.00 -0.65 0.00 0.00 35.03 32.88 1shz n LYS 53 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1shz n ARG 54 N -2.00 0.66 -2.84 -1.58 0.63 -1.25 -4.83 116.66 105.46 1shz n ARG 54 Ca -0.01 0.15 -0.43 0.00 -0.92 0.00 0.00 57.85 56.64 1shz n ARG 54 Cb 0.13 -1.67 -0.04 0.00 0.45 0.00 0.00 32.46 31.33 1shz n ARG 54 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1shz s ARG 55 N -2.57 3.59 0.13 -0.14 1.81 0.18 -4.93 118.95 117.01 1shz s ARG 55 Ca -0.07 0.22 -0.14 0.00 -1.72 0.00 0.00 55.73 54.02 1shz s ARG 55 Cb 0.07 -3.90 -0.01 0.00 -0.45 0.00 0.00 34.95 30.66 1shz s ARG 55 CO 0.83 -1.15 1.58 -1.00 -0.68 0.00 0.00 175.30 174.88 1shz h PRO 56 N 8.94 0.74 0.19 3.54 0.13 -1.88 -2.07 132.00 141.59 1shz h PRO 56 Ca -0.24 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1shz h PRO 56 Cb 1.08 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1shz h PRO 56 CO 1.01 0.82 -0.09 0.00 -0.23 0.00 0.00 178.00 179.51 1shz h ALA 57 N 0.90 -0.25 -0.83 -0.56 0.00 -1.92 -2.34 119.26 114.25 1shz h ALA 57 Ca 0.12 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1shz h ALA 57 Cb 0.49 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1shz h ALA 57 CO 0.02 -0.43 0.54 0.45 0.00 0.00 0.00 179.25 179.84 1shz h HIS 58 N -0.68 0.88 -0.56 0.00 3.86 -1.92 -0.88 115.15 115.85 1shz h HIS 58 Ca -0.03 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1shz h HIS 58 Cb 0.48 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1shz h HIS 58 CO 0.05 0.43 0.02 1.25 0.86 0.00 0.00 177.93 180.55 1shz h LEU 59 N 0.84 0.91 -2.16 2.43 5.85 -1.35 -1.98 115.31 119.85 1shz h LEU 59 Ca 0.37 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1shz h LEU 59 Cb 0.35 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1shz h LEU 59 CO -0.14 0.95 -0.04 0.24 -0.34 0.00 0.00 178.44 179.11 1shz h MET 60 N 0.88 0.00 0.11 1.25 2.86 -0.59 1.09 114.93 120.53 1shz h MET 60 Ca 0.17 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.56 1shz h MET 60 Cb 0.48 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.17 1shz h MET 60 CO 0.02 0.04 -1.03 0.00 1.06 0.00 0.00 176.91 177.00 1shz h ALA 61 N 1.96 -0.03 0.20 6.32 0.00 -1.11 -2.79 119.26 123.82 1shz h ALA 61 Ca -0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1shz h ALA 61 Cb 0.27 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1shz h ALA 61 CO 0.00 0.54 -0.10 1.25 0.00 0.00 0.00 179.25 180.95 1shz h LEU 62 N 0.03 -0.23 -1.88 0.00 5.85 -0.97 -2.79 115.31 115.33 1shz h LEU 62 Ca -0.16 -0.29 0.26 0.00 0.84 0.00 0.00 57.88 58.53 1shz h LEU 62 Cb 1.75 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.79 1shz h LEU 62 CO 0.20 0.22 0.65 -0.07 -0.34 0.00 0.00 178.44 179.10 1shz h LEU 63 N -0.76 0.10 0.21 2.25 -0.00 0.11 -0.92 115.31 116.30 1shz h LEU 63 Ca -0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1shz h LEU 63 Cb 0.51 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1shz h LEU 63 CO 0.05 0.03 -0.10 -0.61 -0.00 0.00 0.00 178.44 177.80 1shz h GLN 64 N 0.09 -0.28 -0.67 1.13 4.15 -1.47 -2.54 115.11 115.53 1shz h GLN 64 Ca 0.45 0.02 0.13 0.00 0.77 0.00 0.00 58.65 60.02 1shz h GLN 64 Cb 1.65 0.06 -0.13 0.00 0.21 0.00 0.00 27.48 29.27 1shz h GLN 64 CO -0.05 0.03 -0.20 1.25 -1.93 0.00 0.00 178.83 177.93 1shz h HIS 65 N -0.98 -0.47 0.50 3.99 2.76 -0.96 -0.13 115.15 119.86 1shz h HIS 65 Ca -0.03 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1shz h HIS 65 Cb 0.44 0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.72 1shz h HIS 65 CO 0.05 -0.31 -0.24 0.28 -1.30 0.00 0.00 177.93 176.41 1shz h VAL 66 N -0.03 0.00 -1.16 5.26 2.07 -1.34 0.52 116.25 121.57 1shz h VAL 66 Ca 0.31 -0.15 0.37 0.00 0.82 0.00 0.00 66.70 68.05 1shz h VAL 66 Cb 0.51 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.15 1shz h VAL 66 CO -0.70 0.00 0.72 0.00 0.02 0.00 0.00 177.57 177.61 1shz h ALA 67 N -1.54 2.40 0.05 1.67 0.00 -1.16 0.37 119.26 121.05 1shz h ALA 67 Ca -0.07 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1shz h ALA 67 Cb 0.52 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1shz h ALA 67 CO 0.11 -1.00 -0.52 1.25 0.00 0.00 0.00 179.25 179.09 1shz h LEU 68 N 0.19 0.17 0.11 0.00 7.12 -1.00 -3.42 115.31 118.48 1shz h LEU 68 Ca 0.76 -0.91 -0.36 0.00 0.13 0.00 0.00 57.88 57.50 1shz h LEU 68 Cb 2.13 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 42.18 1shz h LEU 68 CO -0.47 1.23 -2.00 0.00 -0.13 0.00 0.00 178.44 177.07 1shz n GLN 69 N -4.38 0.74 0.00 1.25 1.13 0.17 -4.72 117.38 111.57 1shz n GLN 69 Ca -0.15 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1shz n GLN 69 Cb 0.64 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1shz n GLN 69 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1shz n PHE 70 N -3.53 0.00 -3.62 1.08 3.01 0.12 -5.05 117.46 109.47 1shz n PHE 70 Ca -0.33 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.74 1shz n PHE 70 Cb 1.02 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.38 1shz n PHE 70 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1shz s GLU 71 N 2.49 3.52 0.00 -1.08 0.41 -1.26 -4.61 118.70 118.16 1shz s GLU 71 Ca 0.00 -0.60 0.00 0.00 -0.41 0.00 0.00 54.97 53.96 1shz s GLU 71 Cb 0.00 -3.63 0.00 0.00 -1.78 0.00 0.00 34.13 28.72 1shz s GLU 71 CO 0.00 -0.36 0.93 -0.35 -0.49 0.00 0.00 175.26 174.99 1shz n PRO 72 N 5.03 0.00 0.00 0.39 -0.04 -1.26 -4.12 135.00 134.99 1shz n PRO 72 Ca -0.14 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1shz n PRO 72 Cb 0.50 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1shz n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1shz n GLY 73 N -1.43 -2.37 0.38 0.55 0.00 -1.26 -1.53 105.19 99.53 1shz n GLY 73 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.36 1shz n GLY 73 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1shz h PRO 74 N 0.00 -0.00 0.11 1.61 0.11 -1.89 -0.19 132.00 131.74 1shz h PRO 74 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1shz h PRO 74 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1shz h PRO 74 CO 0.00 -0.00 -0.05 1.25 -0.21 0.00 0.00 178.00 178.99 1shz h LEU 75 N -0.00 -0.12 -0.32 2.35 5.85 -1.81 -1.58 115.31 119.68 1shz h LEU 75 Ca 0.39 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1shz h LEU 75 Cb 0.64 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1shz h LEU 75 CO -1.00 -0.02 0.20 -0.07 -0.34 0.00 0.00 178.44 177.22 1shz h LEU 76 N -0.21 0.35 -0.31 2.25 3.38 -0.67 -2.19 115.31 117.90 1shz h LEU 76 Ca -0.01 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1shz h LEU 76 Cb 0.17 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 1shz h LEU 76 CO 0.02 0.25 -0.33 0.00 0.09 0.00 0.00 178.44 178.48 1shz h LEU 79 N 0.42 0.33 -1.00 0.00 3.38 -0.56 -1.04 115.31 116.83 1shz h LEU 79 Ca 0.36 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1shz h LEU 79 Cb 0.50 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1shz h LEU 79 CO -0.36 0.58 -0.25 0.45 0.09 0.00 0.00 178.44 178.95 1shz h HIS 80 N 0.07 0.47 0.05 1.13 3.86 -0.26 -2.23 115.15 118.24 1shz h HIS 80 Ca 0.05 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1shz h HIS 80 Cb 0.42 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1shz h HIS 80 CO 0.04 0.64 -0.02 0.00 0.86 0.00 0.00 177.93 179.44 1shz h ALA 81 N 1.37 -0.88 0.00 2.45 0.00 -0.33 -2.89 119.26 118.97 1shz h ALA 81 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1shz h ALA 81 Cb 0.64 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1shz h ALA 81 CO 0.05 -0.87 0.17 -3.47 0.00 0.00 0.00 179.25 175.13 1shz n ASP 82 N -2.20 0.15 0.28 0.00 -0.08 -0.41 0.04 116.55 114.33 1shz n ASP 82 Ca -0.01 0.45 0.15 0.00 -1.51 0.00 0.00 54.79 53.87 1shz n ASP 82 Cb 0.03 -0.44 0.80 0.00 2.34 0.00 0.00 41.12 43.85 1shz n ASP 82 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1shz h MET 83 N 0.00 0.00 -6.72 -0.67 4.05 -1.17 -3.42 114.93 107.00 1shz h MET 83 Ca 0.00 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.91 1shz h MET 83 Cb 0.35 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1shz h MET 83 CO 0.00 0.08 0.50 -0.51 0.23 0.00 0.00 176.91 177.21 1shz s LEU 84 N -7.01 4.50 0.00 3.39 1.02 0.11 -4.80 118.68 115.89 1shz s LEU 84 Ca -0.03 2.20 0.00 0.00 0.02 0.00 0.00 54.13 56.32 1shz s LEU 84 Cb 0.13 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.72 1shz s LEU 84 CO 0.55 -0.23 0.00 0.61 0.02 0.00 0.00 176.35 177.30 1shz n GLY 85 N 1.75 0.00 0.87 -3.19 0.00 -1.26 -5.09 105.19 98.27 1shz n GLY 85 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1shz n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1shz n SER 86 N 0.00 -0.35 0.00 1.61 3.41 -1.26 -5.29 113.62 111.73 1shz n SER 86 Ca 0.00 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 1shz n SER 86 Cb 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1shz n SER 86 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1shz n LYS 93 N -0.09 0.00 0.10 4.33 5.02 -1.26 -5.18 118.16 121.08 1shz n LYS 93 Ca -0.09 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1shz n LYS 93 Cb 0.44 0.00 0.46 0.00 -0.02 0.00 0.00 35.03 35.90 1shz n LYS 93 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1shz n LYS 94 N 0.00 0.18 -0.26 1.97 4.81 -1.26 -3.13 118.16 120.47 1shz n LYS 94 Ca 0.00 0.33 -0.07 0.00 -0.87 0.00 0.00 58.31 57.71 1shz n LYS 94 Cb 0.00 -1.80 0.05 0.00 0.02 0.00 0.00 35.03 33.30 1shz n LYS 94 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shz h ALA 95 N 2.39 0.94 0.00 3.14 0.00 -2.02 -1.73 119.26 121.99 1shz h ALA 95 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1shz h ALA 95 Cb 0.44 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1shz h ALA 95 CO 0.00 0.60 -0.06 0.35 0.00 0.00 0.00 179.25 180.14 1shz h PHE 96 N 1.06 0.00 0.22 0.00 3.57 -1.97 -0.74 116.94 119.07 1shz h PHE 96 Ca 0.24 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1shz h PHE 96 Cb 0.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1shz h PHE 96 CO 0.02 0.06 -0.10 1.25 -2.23 0.00 0.00 178.31 177.31 1shz h LEU 97 N 0.00 -0.25 -0.19 0.59 5.85 -1.48 -2.39 115.31 117.44 1shz h LEU 97 Ca -0.00 -0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.42 1shz h LEU 97 Cb 0.22 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1shz h LEU 97 CO 0.01 0.02 -0.66 0.44 -0.34 0.00 0.00 178.44 177.91 1shz h ASP 98 N -0.52 0.00 0.23 1.25 3.32 -1.46 -3.21 116.42 116.03 1shz h ASP 98 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1shz h ASP 98 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1shz h ASP 98 CO 0.05 0.66 -0.11 0.15 -1.72 0.00 0.00 179.24 178.27 1shz h PHE 99 N 0.00 -0.29 0.00 4.55 3.57 -1.14 -2.57 116.94 121.07 1shz h PHE 99 Ca -0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1shz h PHE 99 Cb 1.43 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.26 1shz h PHE 99 CO 0.00 -0.09 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.06 1shz h TYR 100 N -0.44 0.00 -0.01 0.41 3.20 -1.51 -1.95 116.97 116.68 1shz h TYR 100 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1shz h TYR 100 Cb 0.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1shz h TYR 100 CO -0.03 0.01 -0.20 1.58 -1.64 0.00 0.00 178.16 177.89 1shz n HIS 101 N -3.17 0.00 0.00 -3.82 -0.00 -1.00 -0.57 115.22 106.66 1shz n HIS 101 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1shz n HIS 101 Cb 0.17 -0.09 0.00 0.00 -0.12 0.00 0.00 29.99 29.94 1shz n HIS 101 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1shz n SER 102 N -0.46 2.06 0.00 0.26 7.64 -0.83 -4.70 113.62 117.59 1shz n SER 102 Ca 0.14 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1shz n SER 102 Cb 0.35 0.74 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1shz n SER 102 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1shz n PHE 103 N -0.95 0.00 0.06 1.43 3.01 -0.80 -2.52 117.46 117.69 1shz n PHE 103 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 1shz n PHE 103 Cb 0.00 0.15 -0.06 0.00 -0.01 0.00 0.00 39.48 39.56 1shz n PHE 103 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1shz h LEU 104 N 0.00 0.00 -9.29 4.37 3.38 -1.69 -2.89 115.31 109.19 1shz h LEU 104 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1shz h LEU 104 Cb 0.60 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.39 1shz h LEU 104 CO 0.00 0.64 0.71 1.21 0.09 0.00 0.00 178.44 181.09 1shz n GLU 105 N -3.04 1.49 0.07 1.13 2.13 0.26 -4.79 120.64 117.90 1shz n GLU 105 Ca -0.06 0.54 0.20 0.00 0.66 0.00 0.00 57.16 58.50 1shz n GLU 105 Cb 0.84 -2.25 0.64 0.00 0.27 0.00 0.00 31.44 30.94 1shz n GLU 105 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1shz h LYS 106 N 6.06 0.00 -0.09 5.31 3.11 -1.91 0.44 116.57 129.49 1shz h LYS 106 Ca -0.47 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 1shz h LYS 106 Cb 1.31 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.54 1shz h LYS 106 CO 0.86 0.00 0.00 0.25 -2.81 0.00 0.00 179.45 177.75 1shz n THR 107 N -3.39 0.53 -1.24 1.00 -2.24 -1.26 -5.05 114.28 102.62 1shz n THR 107 Ca 0.09 -0.76 -0.36 0.00 -2.27 0.00 0.00 64.05 60.75 1shz n THR 107 Cb 0.82 0.79 0.08 0.00 -2.10 0.00 0.00 70.33 69.92 1shz n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shz n ALA 108 N 0.12 -1.11 -0.02 6.98 0.00 0.15 -4.94 120.51 121.69 1shz n ALA 108 Ca 0.04 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 1shz n ALA 108 Cb 0.24 -1.96 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 1shz n ALA 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1shz h VAL 109 N -0.47 1.43 -1.21 0.00 2.07 -1.84 -3.29 116.25 112.95 1shz h VAL 109 Ca -0.46 -1.46 -0.55 0.00 0.82 0.00 0.00 66.70 65.06 1shz h VAL 109 Cb 1.34 2.40 -0.20 0.00 -1.52 0.00 0.00 31.29 33.31 1shz h VAL 109 CO 0.43 0.37 0.56 0.18 0.02 0.00 0.00 177.57 179.13 1shz n LEU 110 N -4.80 6.75 -4.71 2.57 4.77 -1.05 -4.99 117.00 115.54 1shz n LEU 110 Ca -0.09 -4.17 -0.42 0.00 -0.03 0.00 0.00 56.01 51.30 1shz n LEU 110 Cb 0.31 -1.17 -0.01 0.00 -2.33 0.00 0.00 43.42 40.22 1shz n LEU 110 CO 0.33 1.68 0.94 -1.14 -1.33 0.00 0.00 177.39 177.87 1shz n ARG 111 N 0.45 2.22 -4.77 3.23 0.63 -1.24 -4.34 116.66 112.83 1shz n ARG 111 Ca 0.49 0.78 -0.27 0.00 -0.92 0.00 0.00 57.85 57.92 1shz n ARG 111 Cb 0.49 -2.38 -0.14 0.00 0.45 0.00 0.00 32.46 30.87 1shz n ARG 111 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1shz s VAL 112 N -1.09 1.85 -0.32 5.15 -7.23 -1.09 -4.81 120.40 112.87 1shz s VAL 112 Ca 0.55 -1.25 -0.28 0.00 -1.81 0.00 0.00 61.98 59.19 1shz s VAL 112 Cb -0.55 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 1shz s VAL 112 CO 0.62 0.29 1.91 -2.16 -0.31 0.00 0.00 175.10 175.45 1shz s PRO 113 N -1.15 3.24 0.13 4.82 0.04 -1.26 -4.94 135.00 135.88 1shz s PRO 113 Ca 0.09 1.54 0.04 0.00 0.04 0.00 0.00 61.00 62.72 1shz s PRO 113 Cb -0.09 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 1shz s PRO 113 CO 0.02 -1.97 0.12 0.14 0.04 0.00 0.00 177.00 175.35 1shz s VAL 114 N 7.40 4.53 0.49 -0.36 -7.23 -1.26 -4.75 120.40 119.22 1shz s VAL 114 Ca 0.85 -0.96 -0.23 0.00 -1.81 0.00 0.00 61.98 59.83 1shz s VAL 114 Cb -0.24 -3.27 -0.08 0.00 0.56 0.00 0.00 36.38 33.35 1shz s VAL 114 CO 0.33 -0.03 1.20 -2.65 -0.31 0.00 0.00 175.10 173.65 1shz n PRO 115 N -0.08 1.59 0.33 4.82 -0.02 -1.26 -4.85 135.00 135.53 1shz n PRO 115 Ca -0.08 0.58 0.20 0.00 -2.02 0.00 0.00 63.50 62.18 1shz n PRO 115 Cb 0.54 -2.35 1.07 0.00 -0.02 0.00 0.00 33.50 32.73 1shz n PRO 115 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1shz h PRO 116 N 1.53 0.00 0.32 0.52 0.11 -1.99 -2.69 132.00 129.79 1shz h PRO 116 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1shz h PRO 116 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1shz h PRO 116 CO 0.57 0.00 -0.15 -0.97 -0.21 0.00 0.00 178.00 177.24 1shz h ASN 117 N 0.00 -0.36 0.57 -2.05 -1.24 -2.02 -3.23 115.58 107.25 1shz h ASN 117 Ca 0.01 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 56.96 1shz h ASN 117 Cb 0.22 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 1shz h ASN 117 CO -0.00 -0.22 -0.32 0.58 -1.29 0.00 0.00 177.43 176.18 1shz h VAL 118 N -0.50 0.94 -0.99 2.57 2.07 -1.91 -2.93 116.25 115.50 1shz h VAL 118 Ca -0.04 -1.21 0.11 0.00 0.82 0.00 0.00 66.70 66.37 1shz h VAL 118 Cb 0.33 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1shz h VAL 118 CO 0.07 0.31 0.63 0.00 0.02 0.00 0.00 177.57 178.60 1shz h ALA 119 N 1.68 1.52 -0.27 1.67 0.00 -1.57 -1.18 119.26 121.12 1shz h ALA 119 Ca -0.00 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1shz h ALA 119 Cb 0.69 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1shz h ALA 119 CO 0.04 0.26 -0.58 0.35 0.00 0.00 0.00 179.25 179.33 1shz h PHE 120 N 1.02 1.09 0.00 0.00 3.57 -1.53 -3.09 116.94 118.00 1shz h PHE 120 Ca 0.47 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1shz h PHE 120 Cb 0.41 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1shz h PHE 120 CO -0.00 1.24 0.00 0.39 -2.23 0.00 0.00 178.31 177.70 1shz n GLU 121 N -4.01 0.57 -3.82 1.11 1.02 -0.46 -5.15 120.64 109.90 1shz n GLU 121 Ca -0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.97 1shz n GLU 121 Cb 0.64 -1.21 -0.10 0.00 -0.02 0.00 0.00 31.44 30.76 1shz n GLU 121 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1shz s LEU 122 N -0.28 1.24 0.00 -4.62 1.43 -1.13 -5.05 118.68 110.27 1shz s LEU 122 Ca 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1shz s LEU 122 Cb 0.00 0.91 0.00 0.00 0.03 0.00 0.00 46.19 47.13 1shz s LEU 122 CO 0.00 -0.36 0.00 -0.67 0.23 0.00 0.00 176.35 175.55 1shz n ASP 133 N 1.59 0.00 0.27 2.29 2.03 -1.26 -4.92 116.55 116.55 1shz n ASP 133 Ca -0.21 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.25 1shz n ASP 133 Cb 0.56 0.00 0.80 0.00 -0.72 0.00 0.00 41.12 41.76 1shz n ASP 133 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1shz h VAL 134 N 0.00 0.00 -0.89 5.18 2.07 -2.07 0.12 116.25 120.67 1shz h VAL 134 Ca 0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 1shz h VAL 134 Cb 0.00 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1shz h VAL 134 CO 0.00 0.00 0.61 -0.61 0.02 0.00 0.00 177.57 177.59 1shz h GLN 135 N 0.00 0.18 -0.41 1.57 4.15 -2.06 -0.33 115.11 118.23 1shz h GLN 135 Ca 0.00 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1shz h GLN 135 Cb 0.36 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.95 1shz h GLN 135 CO 0.00 0.12 0.09 0.00 -1.93 0.00 0.00 178.83 177.11 1shz h ARG 136 N 0.19 0.22 -0.44 1.69 2.47 -1.19 -1.42 114.38 115.89 1shz h ARG 136 Ca 0.44 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 59.12 1shz h ARG 136 Cb 1.43 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.69 1shz h ARG 136 CO -0.09 0.14 0.15 -0.09 0.56 0.00 0.00 179.97 180.64 1shz h ARG 137 N 0.22 0.68 0.46 0.04 2.43 -1.26 -1.93 114.38 115.03 1shz h ARG 137 Ca 0.20 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1shz h ARG 137 Cb 0.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1shz h ARG 137 CO -0.25 0.65 -0.22 0.74 -1.51 0.00 0.00 179.97 179.38 1shz h PHE 138 N 0.57 -0.57 -0.43 2.20 0.05 -1.32 0.13 116.94 117.57 1shz h PHE 138 Ca 0.14 -0.01 0.06 0.00 3.82 0.00 0.00 57.97 61.98 1shz h PHE 138 Cb 0.25 0.19 -0.05 0.00 2.00 0.00 0.00 35.95 38.33 1shz h PHE 138 CO 0.01 -0.33 0.12 0.28 -0.18 0.00 0.00 178.31 178.21 1shz h VAL 139 N -0.66 0.81 -0.30 -0.55 2.07 -1.29 -0.56 116.25 115.79 1shz h VAL 139 Ca -0.06 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1shz h VAL 139 Cb 0.49 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1shz h VAL 139 CO 0.10 0.05 0.19 -0.61 0.02 0.00 0.00 177.57 177.33 1shz h GLN 140 N 0.27 0.39 0.00 1.57 4.15 -1.25 -1.56 115.11 118.67 1shz h GLN 140 Ca 0.21 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1shz h GLN 140 Cb 0.23 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1shz h GLN 140 CO -0.24 0.26 0.00 1.49 -1.93 0.00 0.00 178.83 178.41 1shz h GLU 141 N 0.40 0.00 0.11 1.69 4.57 0.61 -2.99 114.58 118.97 1shz h GLU 141 Ca 0.11 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.93 1shz h GLU 141 Cb -0.04 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1shz h GLU 141 CO -0.02 0.00 -1.98 0.28 -1.18 0.00 0.00 179.01 176.10 1shz n VAL 142 N -2.34 1.76 0.17 0.32 0.31 -0.64 -4.07 118.33 113.83 1shz n VAL 142 Ca 0.05 -0.67 -0.14 0.00 -0.01 0.00 0.00 64.34 63.56 1shz n VAL 142 Cb 0.39 -1.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.59 1shz n VAL 142 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1shz h VAL 143 N 0.06 0.75 -0.53 2.52 2.07 -1.44 -2.87 116.25 116.82 1shz h VAL 143 Ca -0.41 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 67.12 1shz h VAL 143 Cb 2.03 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1shz h VAL 143 CO 0.08 0.03 0.42 1.56 0.02 0.00 0.00 177.57 179.69 1shz h GLN 144 N -0.44 0.00 0.00 1.57 1.08 -1.72 0.44 115.11 116.04 1shz h GLN 144 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1shz h GLN 144 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1shz h GLN 144 CO 0.06 0.00 0.00 1.03 -0.95 0.00 0.00 178.83 178.97 1shz h SER 145 N 0.00 0.00 -0.24 1.46 0.87 -1.65 -3.07 113.55 110.92 1shz h SER 145 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1shz h SER 145 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1shz h SER 145 CO -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1shz n GLN 146 N -2.50 2.36 0.01 2.24 1.13 0.15 -4.45 117.38 116.32 1shz n GLN 146 Ca 0.04 -2.03 -0.12 0.00 -1.94 0.00 0.00 57.00 52.96 1shz n GLN 146 Cb 0.41 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.20 1shz n GLN 146 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1shz h GLN 147 N 4.31 0.05 -0.28 -1.09 1.08 -1.39 -1.04 115.11 116.75 1shz h GLN 147 Ca 0.00 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1shz h GLN 147 Cb 0.94 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 1shz h GLN 147 CO 0.00 0.15 0.19 0.28 -0.95 0.00 0.00 178.83 178.50 1shz h VAL 148 N -0.06 1.05 0.03 -0.54 2.07 -1.80 0.14 116.25 117.15 1shz h VAL 148 Ca 0.01 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1shz h VAL 148 Cb 0.12 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1shz h VAL 148 CO -0.00 0.06 -0.24 0.00 0.02 0.00 0.00 177.57 177.41 1shz h ALA 149 N 1.83 -0.02 -0.56 1.67 0.00 -1.79 -2.40 119.26 117.99 1shz h ALA 149 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1shz h ALA 149 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1shz h ALA 149 CO -0.02 0.10 0.37 0.28 0.00 0.00 0.00 179.25 179.97 1shz h VAL 150 N -0.75 1.15 -0.67 0.00 2.07 -1.02 -1.86 116.25 115.17 1shz h VAL 150 Ca -0.04 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1shz h VAL 150 Cb 1.14 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1shz h VAL 150 CO 0.05 0.15 0.41 1.23 0.02 0.00 0.00 177.57 179.42 1shz h GLY 151 N 0.76 0.97 2.00 2.17 0.00 -0.81 -1.79 103.07 106.37 1shz h GLY 151 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1shz h GLY 151 CO -0.04 0.39 0.00 3.21 0.00 0.00 0.00 176.54 180.10 1shz h ARG 152 N 0.91 0.00 0.03 4.80 2.47 -1.08 -2.69 114.38 118.82 1shz h ARG 152 Ca 0.24 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.64 1shz h ARG 152 Cb -0.03 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.25 1shz h ARG 152 CO -0.05 0.00 -1.85 1.04 0.56 0.00 0.00 179.97 179.67 1shz n GLN 153 N -3.07 0.67 -0.17 0.04 6.02 -0.73 -3.08 117.38 117.06 1shz n GLN 153 Ca 0.01 0.26 -0.05 0.00 -0.01 0.00 0.00 57.00 57.21 1shz n GLN 153 Cb 0.30 -1.74 0.14 0.00 1.02 0.00 0.00 30.24 29.95 1shz n GLN 153 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1shz h LEU 154 N 0.02 0.88 -0.45 1.08 3.38 -1.25 -0.57 115.31 118.39 1shz h LEU 154 Ca -0.35 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.36 1shz h LEU 154 Cb 2.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1shz h LEU 154 CO 0.07 0.86 -0.07 -0.08 0.09 0.00 0.00 178.44 179.32 1shz h GLU 155 N 0.89 0.85 -0.42 1.13 4.22 -1.60 -0.31 114.58 119.33 1shz h GLU 155 Ca 0.19 -0.30 -0.04 0.00 0.08 0.00 0.00 59.36 59.29 1shz h GLU 155 Cb 0.34 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1shz h GLU 155 CO 0.00 0.93 0.10 0.22 -2.18 0.00 0.00 179.01 178.08 1shz h ASP 156 N 0.68 0.58 -0.06 1.04 1.82 -1.37 -0.24 116.42 118.87 1shz h ASP 156 Ca 0.12 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1shz h ASP 156 Cb 0.59 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 1shz h ASP 156 CO 0.04 0.59 -0.03 0.15 -1.61 0.00 0.00 179.24 178.37 1shz h PHE 157 N 0.61 0.15 -0.33 0.28 3.57 -0.82 -2.22 116.94 118.19 1shz h PHE 157 Ca 0.14 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1shz h PHE 157 Cb 0.24 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.87 1shz h PHE 157 CO 0.01 0.52 -0.20 0.00 -2.23 0.00 0.00 178.31 176.41 1shz h ARG 158 N -0.26 -0.15 -0.36 1.11 3.08 -0.53 0.54 114.38 117.80 1shz h ARG 158 Ca 0.01 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.15 1shz h ARG 158 Cb 0.48 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 1shz h ARG 158 CO 0.01 -0.10 -0.10 0.77 -1.07 0.00 0.00 179.97 179.48 1shz h SER 159 N -0.16 -0.36 -0.52 7.04 0.02 -1.02 -1.53 113.55 117.03 1shz h SER 159 Ca 0.17 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1shz h SER 159 Cb 0.42 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1shz h SER 159 CO -0.42 -0.13 0.08 0.11 -1.14 0.00 0.00 176.83 175.33 1shz h LYS 160 N -0.01 0.86 -0.39 3.45 1.79 -0.73 -2.85 116.57 118.70 1shz h LYS 160 Ca 0.17 -0.24 0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1shz h LYS 160 Cb 0.27 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 30.75 1shz h LYS 160 CO -0.38 0.85 -0.49 -0.09 -1.08 0.00 0.00 179.45 178.27 1shz h ARG 161 N 0.74 -0.32 -0.28 3.15 9.65 0.10 0.30 114.38 127.73 1shz h ARG 161 Ca 0.16 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.12 1shz h ARG 161 Cb 0.41 0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.99 1shz h ARG 161 CO 0.01 -0.21 -0.19 -0.07 2.80 0.00 0.00 179.97 182.31 1shz h LEU 162 N -0.33 -0.63 -0.04 3.80 3.38 -1.38 0.15 115.31 120.26 1shz h LEU 162 Ca 0.07 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1shz h LEU 162 Cb 0.51 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1shz h LEU 162 CO -0.54 -0.23 0.00 0.23 0.09 0.00 0.00 178.44 177.99 1shz n MET 163 N -5.35 0.01 -1.11 1.13 2.81 -0.80 -4.80 117.12 109.00 1shz n MET 163 Ca -0.00 0.40 -0.00 0.00 -1.81 0.00 0.00 57.70 56.29 1shz n MET 163 Cb 0.26 -1.52 -0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1shz n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1shz n GLY 164 N -0.85 0.38 2.25 3.03 0.00 0.53 -4.95 105.19 105.58 1shz n GLY 164 Ca 0.01 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 1shz n GLY 164 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1shz n MET 165 N -2.78 2.38 -4.40 1.61 2.81 -0.08 -4.92 117.12 111.73 1shz n MET 165 Ca -0.00 -3.05 -0.27 0.00 -1.81 0.00 0.00 57.70 52.57 1shz n MET 165 Cb 0.06 -2.20 -0.13 0.00 -0.71 0.00 0.00 33.22 30.24 1shz n MET 165 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1shz s THR 166 N -3.75 1.96 0.60 2.03 -4.23 -1.26 -4.80 115.64 106.20 1shz s THR 166 Ca 0.59 -1.59 -0.09 0.00 -1.18 0.00 0.00 61.69 59.42 1shz s THR 166 Cb 0.48 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 1shz s THR 166 CO 0.07 0.06 0.96 -2.16 -0.54 0.00 0.00 174.62 173.01 1shz s PRO 167 N -1.86 3.23 -1.04 3.99 0.04 -1.26 -4.21 135.00 133.89 1shz s PRO 167 Ca 0.10 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1shz s PRO 167 Cb -0.10 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1shz s PRO 167 CO 0.05 -0.64 0.00 0.91 0.04 0.00 0.00 177.00 177.35 1shz n TRP 168 N -2.67 0.00 0.08 0.56 5.03 -1.26 -4.85 117.44 114.33 1shz n TRP 168 Ca 0.05 0.00 0.09 0.00 3.03 0.00 0.00 57.50 60.66 1shz n TRP 168 Cb 0.56 -2.44 0.55 0.00 -1.03 0.00 0.00 31.31 28.95 1shz n TRP 168 CO 0.00 0.00 0.00 0.93 -0.03 0.00 0.00 177.69 178.59 1shz h GLU 169 N 0.07 0.26 0.00 -0.99 5.08 -1.99 -0.25 114.58 116.76 1shz h GLU 169 Ca -0.20 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1shz h GLU 169 Cb 1.02 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1shz h GLU 169 CO 0.29 0.17 0.00 0.94 -1.00 0.00 0.00 179.01 179.41 1shz n GLN 170 N -4.49 0.00 -0.25 2.33 -0.06 -1.26 -0.05 117.38 113.60 1shz n GLN 170 Ca 0.03 0.52 0.13 0.00 -2.00 0.00 0.00 57.00 55.68 1shz n GLN 170 Cb 0.18 -1.48 0.41 0.00 -4.06 0.00 0.00 30.24 25.29 1shz n GLN 170 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1shz h GLU 171 N 0.00 0.61 0.18 3.69 3.07 -1.95 0.13 114.58 120.32 1shz h GLU 171 Ca 0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1shz h GLU 171 Cb 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 1shz h GLU 171 CO 0.00 0.41 -0.09 1.25 -1.40 0.00 0.00 179.01 179.18 1shz h LEU 172 N 0.63 -0.21 -0.42 1.33 5.85 -0.92 -1.44 115.31 120.14 1shz h LEU 172 Ca 0.44 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 59.07 1shz h LEU 172 Cb 0.77 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1shz h LEU 172 CO -0.19 -0.11 0.02 0.00 -0.34 0.00 0.00 178.44 177.82 1shz h ALA 173 N 0.52 0.56 0.00 1.25 0.00 0.57 -2.59 119.26 119.57 1shz h ALA 173 Ca -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1shz h ALA 173 Cb 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1shz h ALA 173 CO 0.04 0.32 -0.01 0.37 0.00 0.00 0.00 179.25 179.97 1shz h GLN 174 N 0.56 0.00 -0.11 0.00 4.15 -0.70 0.29 115.11 119.30 1shz h GLN 174 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1shz h GLN 174 Cb 0.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1shz h GLN 174 CO 0.02 0.01 0.00 -0.11 -1.93 0.00 0.00 178.83 176.82 1shz n LEU 175 N -3.23 1.70 -0.12 -2.39 7.94 -0.55 -3.92 117.00 116.43 1shz n LEU 175 Ca -0.02 -0.65 -0.18 0.00 -1.11 0.00 0.00 56.01 54.05 1shz n LEU 175 Cb 0.13 -0.06 -0.10 0.00 0.53 0.00 0.00 43.42 43.91 1shz n LEU 175 CO 0.23 0.33 -1.26 -0.62 -1.11 0.00 0.00 177.39 174.96 1shz n GLU 176 N 0.34 0.56 -1.81 1.96 1.02 0.97 -4.61 120.64 119.07 1shz n GLU 176 Ca 0.17 0.15 -0.41 0.00 -0.02 0.00 0.00 57.16 57.05 1shz n GLU 176 Cb 0.36 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1shz n GLU 176 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1shz n ALA 177 N -3.33 6.35 -3.98 0.62 0.00 -1.01 -4.85 120.51 114.31 1shz n ALA 177 Ca -0.42 -3.93 -0.29 0.00 0.00 0.00 0.00 53.44 48.80 1shz n ALA 177 Cb 0.91 -3.20 -0.16 0.00 0.00 0.00 0.00 19.45 17.00 1shz n ALA 177 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1shz s TRP 178 N 1.32 2.04 0.07 0.00 -0.00 -1.26 -5.02 118.94 116.09 1shz s TRP 178 Ca 0.53 -1.19 0.05 0.00 -0.00 0.00 0.00 56.10 55.49 1shz s TRP 178 Cb 0.15 -1.51 -0.04 0.00 -0.00 0.00 0.00 33.47 32.07 1shz s TRP 178 CO -0.06 -0.65 -0.02 0.08 -0.00 0.00 0.00 176.95 176.30 1shz s VAL 179 N 1.53 3.90 0.00 5.86 1.01 -1.26 -5.11 120.40 126.33 1shz s VAL 179 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1shz s VAL 179 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1shz s VAL 179 CO -0.09 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1shz n GLY 180 N 0.80 2.54 0.00 4.51 0.00 -1.26 -4.96 105.19 106.82 1shz n GLY 180 Ca -0.12 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1shz n GLY 180 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1shz n ARG 181 N -0.44 0.44 -3.48 1.61 0.63 -1.26 -4.53 116.66 109.62 1shz n ARG 181 Ca 0.00 0.05 -0.43 0.00 -0.92 0.00 0.00 57.85 56.56 1shz n ARG 181 Cb 0.00 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.32 1shz n ARG 181 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1shz s ASP 182 N -2.39 5.98 -0.04 6.15 3.68 -1.26 -4.97 116.67 123.82 1shz s ASP 182 Ca 0.25 -1.16 -0.09 0.00 2.13 0.00 0.00 52.55 53.69 1shz s ASP 182 Cb 0.15 -2.12 -0.05 0.00 -1.45 0.00 0.00 42.92 39.45 1shz s ASP 182 CO 0.31 -0.52 0.43 -0.09 0.13 0.00 0.00 175.17 175.43 1shz h ARG 183 N 8.60 -0.31 -0.35 4.34 9.65 -2.03 -3.32 114.38 130.97 1shz h ARG 183 Ca -0.27 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.74 1shz h ARG 183 Cb 1.11 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.74 1shz h ARG 183 CO 0.77 -0.20 0.62 0.00 2.80 0.00 0.00 179.97 183.96 1shz h ALA 184 N -1.31 2.02 -0.01 2.80 0.00 -1.99 0.13 119.26 120.91 1shz h ALA 184 Ca -0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1shz h ALA 184 Cb 0.24 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1shz h ALA 184 CO 0.05 -0.80 -0.69 1.03 0.00 0.00 0.00 179.25 178.85 1shz h SER 185 N 0.00 0.06 0.80 0.00 0.87 -1.99 -3.03 113.55 110.26 1shz h SER 185 Ca 0.16 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1shz h SER 185 Cb 1.40 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.35 1shz h SER 185 CO -0.00 0.73 -0.39 0.22 -0.53 0.00 0.00 176.83 176.86 1shz h TYR 186 N 0.04 -1.00 -1.20 2.24 5.03 -0.86 -2.71 116.97 118.50 1shz h TYR 186 Ca -0.01 -0.02 0.34 0.00 2.58 0.00 0.00 58.73 61.62 1shz h TYR 186 Cb 1.22 0.33 -0.07 0.00 1.55 0.00 0.00 36.73 39.76 1shz h TYR 186 CO 0.01 -0.62 0.83 0.93 -1.32 0.00 0.00 178.16 177.99 1shz h GLU 187 N -1.27 0.12 -0.02 1.82 5.08 -1.62 0.93 114.58 119.62 1shz h GLU 187 Ca -0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1shz h GLU 187 Cb 0.83 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1shz h GLU 187 CO 0.18 0.08 -0.01 0.00 -1.00 0.00 0.00 179.01 178.27 1shz h ALA 188 N 1.47 0.01 0.00 3.43 0.00 -1.35 -2.63 119.26 120.19 1shz h ALA 188 Ca 0.62 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.46 1shz h ALA 188 Cb 2.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1shz h ALA 188 CO -0.14 -0.50 -0.41 -0.09 0.00 0.00 0.00 179.25 178.11 1shz h ARG 189 N -0.00 0.00 -0.50 0.00 2.43 -0.72 -2.98 114.38 112.60 1shz h ARG 189 Ca 0.01 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1shz h ARG 189 Cb 0.02 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 1shz h ARG 189 CO -0.02 0.41 0.24 0.93 -1.51 0.00 0.00 179.97 180.01 1shz h GLU 190 N 0.00 0.45 -0.93 0.20 5.08 -1.07 -0.68 114.58 117.64 1shz h GLU 190 Ca -0.00 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1shz h GLU 190 Cb 0.90 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 1shz h GLU 190 CO 0.05 0.30 0.60 0.00 -1.00 0.00 0.00 179.01 178.96 1shz h ARG 191 N 0.46 0.99 -0.11 2.33 3.08 -1.35 0.88 114.38 120.66 1shz h ARG 191 Ca 0.23 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.03 1shz h ARG 191 Cb 0.16 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1shz h ARG 191 CO -0.18 0.65 -0.72 0.45 -1.07 0.00 0.00 179.97 179.11 1shz h HIS 192 N 1.01 0.69 -0.12 3.04 3.86 -1.38 -2.01 115.15 120.24 1shz h HIS 192 Ca 0.41 -0.30 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 1shz h HIS 192 Cb 0.27 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 1shz h HIS 192 CO -0.00 1.07 0.01 0.28 0.86 0.00 0.00 177.93 180.15 1shz h VAL 193 N 0.36 1.23 -0.98 2.45 2.07 -0.24 -1.48 116.25 119.65 1shz h VAL 193 Ca -0.03 -0.72 0.13 0.00 0.82 0.00 0.00 66.70 66.90 1shz h VAL 193 Cb 1.30 1.47 -0.09 0.00 -1.52 0.00 0.00 31.29 32.46 1shz h VAL 193 CO 0.13 0.21 0.61 0.00 0.02 0.00 0.00 177.57 178.54 1shz h ALA 194 N 0.78 1.49 -0.01 1.67 0.00 -0.82 -0.29 119.26 122.08 1shz h ALA 194 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1shz h ALA 194 Cb 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1shz h ALA 194 CO 0.00 0.17 0.01 0.93 0.00 0.00 0.00 179.25 180.36 1shz h GLU 195 N 0.93 0.01 -0.24 0.00 5.08 -0.92 0.50 114.58 119.94 1shz h GLU 195 Ca 0.50 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.90 1shz h GLU 195 Cb 0.53 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1shz h GLU 195 CO -0.28 0.03 -0.02 0.00 -1.00 0.00 0.00 179.01 177.74 1shz h ARG 196 N -0.00 0.05 -0.19 2.33 3.08 -0.11 -1.16 114.38 118.38 1shz h ARG 196 Ca 0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1shz h ARG 196 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1shz h ARG 196 CO -0.00 0.03 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.85 1shz h LEU 197 N 0.05 0.34 -1.40 3.04 3.38 -0.87 -0.97 115.31 118.88 1shz h LEU 197 Ca 0.12 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 57.91 1shz h LEU 197 Cb 0.16 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1shz h LEU 197 CO -0.21 0.58 0.55 0.25 0.09 0.00 0.00 178.44 179.70 1shz h LEU 198 N 0.09 0.55 0.04 1.67 5.85 0.23 0.24 115.31 123.99 1shz h LEU 198 Ca 0.05 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.63 1shz h LEU 198 Cb 0.42 -0.08 0.02 0.00 0.37 0.00 0.00 40.66 41.38 1shz h LEU 198 CO 0.01 0.28 -0.70 0.24 -0.34 0.00 0.00 178.44 177.94 1shz h MET 199 N 0.59 0.40 -0.12 1.25 2.86 -1.05 -2.57 114.93 116.29 1shz h MET 199 Ca 0.42 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1shz h MET 199 Cb 0.77 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1shz h MET 199 CO -0.17 1.16 0.05 1.25 1.06 0.00 0.00 176.91 180.26 1shz h HIS 200 N -0.14 0.15 0.00 -0.22 -0.00 -0.22 0.92 115.15 115.65 1shz h HIS 200 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 1shz h HIS 200 Cb 1.44 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.79 1shz h HIS 200 CO 0.16 0.12 -0.26 1.25 -0.00 0.00 0.00 177.93 179.20 1shz h LEU 201 N 0.16 0.00 0.00 0.26 6.46 -0.57 -3.22 115.31 118.41 1shz h LEU 201 Ca 0.04 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1shz h LEU 201 Cb 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1shz h LEU 201 CO -0.01 0.03 -0.11 -0.08 -0.62 0.00 0.00 178.44 177.66 1shz h GLU 202 N 0.00 0.00 -0.90 1.25 4.81 -0.47 -3.35 114.58 115.93 1shz h GLU 202 Ca 0.00 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 1shz h GLU 202 Cb 0.83 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.04 1shz h GLU 202 CO 0.00 0.00 -0.13 0.93 -0.73 0.00 0.00 179.01 179.08 1shz h GLU 203 N -0.41 0.02 -4.48 1.92 5.08 -1.29 -3.21 114.58 112.21 1shz h GLU 203 Ca 0.00 -0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.66 1shz h GLU 203 Cb 0.11 -0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.01 1shz h GLU 203 CO 0.00 0.01 -0.54 -1.64 -1.00 0.00 0.00 179.01 175.84 1shz s MET 204 N -6.18 2.02 -0.01 2.33 -1.94 -1.21 -4.84 119.30 109.48 1shz s MET 204 Ca -0.14 -1.81 0.01 0.00 -1.71 0.00 0.00 55.69 52.04 1shz s MET 204 Cb 0.25 -3.59 0.02 0.00 2.01 0.00 0.00 34.83 33.52 1shz s MET 204 CO 0.77 -1.07 0.89 0.00 -0.01 0.00 0.00 175.02 175.60 1shz n GLN 205 N 4.61 0.18 -0.63 2.03 -0.00 -1.22 -4.57 117.38 117.78 1shz n GLN 205 Ca -0.03 -1.02 -0.06 0.00 -0.00 0.00 0.00 57.00 55.90 1shz n GLN 205 Cb 0.41 -0.59 -0.08 0.00 -0.00 0.00 0.00 30.24 29.98 1shz n GLN 205 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1shz n HIS 206 N -0.12 0.00 -0.57 2.61 -0.00 -1.26 -2.64 115.22 113.24 1shz n HIS 206 Ca 0.01 -1.02 0.00 0.00 -0.00 0.00 0.00 57.72 56.71 1shz n HIS 206 Cb 0.63 -1.01 0.00 0.00 -0.00 0.00 0.00 29.99 29.61 1shz n HIS 206 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1shz n THR 207 N 2.26 0.00 0.27 1.59 -1.04 -1.26 -4.92 114.28 111.18 1shz n THR 207 Ca 0.21 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.06 1shz n THR 207 Cb 0.59 0.69 -0.08 0.00 -1.82 0.00 0.00 70.33 69.71 1shz n THR 207 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1shz h ILE 208 N 0.16 0.44 -1.40 12.58 2.04 -1.78 -3.47 117.51 126.09 1shz h ILE 208 Ca 0.00 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.06 1shz h ILE 208 Cb 0.08 0.44 -0.22 0.00 -0.74 0.00 0.00 36.82 36.38 1shz h ILE 208 CO 0.00 0.00 0.78 -0.55 0.00 0.00 0.00 178.15 178.38 1shz s SER 209 N -4.59 -0.17 0.59 1.72 0.15 -1.26 -4.83 113.70 105.30 1shz s SER 209 Ca -0.17 0.11 0.29 0.00 0.70 0.00 0.00 55.95 56.89 1shz s SER 209 Cb 0.05 0.16 1.42 0.00 -1.71 0.00 0.00 66.02 65.93 1shz s SER 209 CO 0.63 -0.21 1.82 0.00 1.20 0.00 0.00 173.24 176.68 1shz h THR 210 N 2.16 0.32 -2.49 6.45 1.03 -1.97 -3.40 112.91 115.00 1shz h THR 210 Ca -0.12 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.72 1shz h THR 210 Cb 1.17 0.54 -0.01 0.00 -1.07 0.00 0.00 68.15 68.78 1shz h THR 210 CO 0.25 0.00 1.23 -0.62 -0.01 0.00 0.00 175.52 176.37 1shz s ASP 211 N -5.00 6.21 0.00 0.00 3.68 -1.26 -4.86 116.67 115.45 1shz s ASP 211 Ca -0.04 1.97 0.21 0.00 2.13 0.00 0.00 52.55 56.82 1shz s ASP 211 Cb 0.16 -2.53 1.01 0.00 -1.45 0.00 0.00 42.92 40.11 1shz s ASP 211 CO 0.55 -1.34 1.66 -0.62 0.13 0.00 0.00 175.17 175.55 1shz n GLU 212 N 7.84 0.23 -0.05 4.34 1.02 -1.26 -3.40 120.64 129.35 1shz n GLU 212 Ca 0.21 0.10 -0.06 0.00 -0.02 0.00 0.00 57.16 57.40 1shz n GLU 212 Cb 0.44 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 1shz n GLU 212 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1shz n GLU 213 N -1.33 2.01 0.27 3.49 0.00 -1.26 -4.45 120.64 119.37 1shz n GLU 213 Ca 0.09 0.01 0.10 0.00 0.00 0.00 0.00 57.16 57.36 1shz n GLU 213 Cb 0.18 -1.26 0.72 0.00 0.00 0.00 0.00 31.44 31.08 1shz n GLU 213 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1shz h LYS 214 N 0.00 0.00 -0.10 5.31 3.64 -1.94 -0.65 116.57 122.83 1shz h LYS 214 Ca -0.28 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.96 1shz h LYS 214 Cb 1.59 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 1shz h LYS 214 CO 0.00 0.01 -0.57 0.66 -2.27 0.00 0.00 179.45 177.29 1shz h SER 215 N 0.00 0.37 -0.17 4.20 4.64 -1.79 -2.60 113.55 118.19 1shz h SER 215 Ca -0.00 -0.20 -0.14 0.00 -0.47 0.00 0.00 61.79 60.98 1shz h SER 215 Cb 0.03 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1shz h SER 215 CO 0.00 0.86 -0.38 0.00 -0.87 0.00 0.00 176.83 176.44 1shz h ALA 216 N 1.14 0.76 -0.08 5.18 0.00 -1.34 -2.01 119.26 122.91 1shz h ALA 216 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1shz h ALA 216 Cb 1.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1shz h ALA 216 CO 0.09 0.66 0.02 0.00 0.00 0.00 0.00 179.25 180.02 1shz h ALA 217 N 0.99 0.11 0.77 0.00 0.00 -1.35 -2.10 119.26 117.67 1shz h ALA 217 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1shz h ALA 217 Cb 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1shz h ALA 217 CO 0.08 -0.28 -0.43 0.28 0.00 0.00 0.00 179.25 178.90 1shz h VAL 218 N -0.07 0.00 -0.93 0.00 2.07 -1.41 0.30 116.25 116.22 1shz h VAL 218 Ca 0.03 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.78 1shz h VAL 218 Cb 0.22 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.87 1shz h VAL 218 CO -0.00 0.00 0.46 0.58 0.02 0.00 0.00 177.57 178.63 1shz h VAL 219 N -1.11 0.49 -0.15 2.57 2.07 -1.43 0.40 116.25 119.09 1shz h VAL 219 Ca -0.10 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1shz h VAL 219 Cb 0.88 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1shz h VAL 219 CO 0.13 0.08 0.01 0.78 0.02 0.00 0.00 177.57 178.60 1shz h ASN 220 N 0.45 0.25 0.28 0.57 2.35 -1.04 0.52 115.58 118.95 1shz h ASN 220 Ca 0.59 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1shz h ASN 220 Cb 1.12 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 1shz h ASN 220 CO -0.51 0.47 -0.16 0.00 -1.65 0.00 0.00 177.43 175.58 1shz h ALA 221 N 0.79 -0.41 -0.60 -0.83 0.00 0.17 0.14 119.26 118.52 1shz h ALA 221 Ca 0.04 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1shz h ALA 221 Cb 0.34 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1shz h ALA 221 CO 0.01 -0.74 0.32 0.82 0.00 0.00 0.00 179.25 179.66 1shz h ILE 222 N -0.42 0.96 -0.03 0.00 2.04 -0.29 -2.36 117.51 117.42 1shz h ILE 222 Ca -0.03 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1shz h ILE 222 Cb 0.34 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 1shz h ILE 222 CO 0.04 0.11 -0.43 1.23 0.00 0.00 0.00 178.15 179.09 1shz h GLY 223 N 0.61 -0.80 0.14 5.37 0.00 0.87 -0.96 103.07 108.30 1shz h GLY 223 Ca 0.27 0.53 0.10 0.00 0.00 0.00 0.00 47.33 48.23 1shz h GLY 223 CO -0.17 -0.24 -0.00 -2.00 0.00 0.00 0.00 176.54 174.12 1shz h LEU 224 N -0.57 -0.22 -0.51 3.11 5.85 -0.40 -1.67 115.31 120.90 1shz h LEU 224 Ca 0.05 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1shz h LEU 224 Cb 0.66 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1shz h LEU 224 CO -0.34 -0.08 0.17 0.22 -0.34 0.00 0.00 178.44 178.08 1shz h TYR 225 N 0.11 0.81 -0.99 1.25 3.20 -1.04 -2.48 116.97 117.83 1shz h TYR 225 Ca 0.26 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.12 1shz h TYR 225 Cb 0.39 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 1shz h TYR 225 CO -0.32 0.69 0.64 0.52 -1.64 0.00 0.00 178.16 178.05 1shz h MET 226 N 0.69 1.10 0.00 1.82 2.86 -0.72 0.17 114.93 120.86 1shz h MET 226 Ca 0.17 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1shz h MET 226 Cb 0.26 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1shz h MET 226 CO -0.01 0.73 -0.04 0.00 1.06 0.00 0.00 176.91 178.65 1shz h ARG 227 N 1.14 0.00 0.00 1.72 3.08 -0.86 0.30 114.38 119.76 1shz h ARG 227 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 1shz h ARG 227 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1shz h ARG 227 CO -0.18 0.04 0.00 1.25 -1.07 0.00 0.00 179.97 180.01 1shz h HIS 228 N 0.00 0.00 0.07 3.04 2.76 -0.43 -3.15 115.15 117.43 1shz h HIS 228 Ca -0.00 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.81 1shz h HIS 228 Cb 0.11 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.03 1shz h HIS 228 CO 0.00 0.00 -2.10 1.28 -1.30 0.00 0.00 177.93 175.81 1shz n LEU 229 N -3.02 2.25 0.00 0.26 4.77 0.01 -4.99 117.00 116.28 1shz n LEU 229 Ca 0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1shz n LEU 229 Cb 0.36 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1shz n LEU 229 CO 0.28 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1shz n GLY 230 N 1.98 -0.64 3.68 -0.72 0.00 -0.68 -5.11 105.19 103.70 1shz n GLY 230 Ca -0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1shz n GLY 230 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shz s VAL 231 N -0.17 4.80 0.30 1.61 1.01 -0.90 -4.99 120.40 122.06 1shz s VAL 231 Ca 0.00 1.97 -0.28 0.00 0.00 0.00 0.00 61.98 63.67 1shz s VAL 231 Cb 0.00 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 1shz s VAL 231 CO 0.00 -0.00 1.09 -0.13 0.00 0.00 0.00 175.10 176.06 1shz s ARG 232 N 2.09 4.55 0.00 2.72 0.52 -1.26 -4.14 118.95 123.43 1shz s ARG 232 Ca 0.46 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 1shz s ARG 232 Cb -0.18 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.21 1shz s ARG 232 CO 0.16 0.15 0.15 2.41 0.02 0.00 0.00 175.30 178.19