#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gzi n GLY 9 N 0.00 0.41 2.98 7.55 0.00 -1.26 -4.41 105.19 110.47 3gzi n GLY 9 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 3gzi n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gzi s ARG 10 N 0.00 2.57 0.54 1.61 0.52 -1.26 -5.10 118.95 117.83 3gzi s ARG 10 Ca 0.00 -3.08 -0.20 0.00 -0.52 0.00 0.00 55.73 51.93 3gzi s ARG 10 Cb 0.00 -3.57 -0.06 0.00 0.52 0.00 0.00 34.95 31.85 3gzi s ARG 10 CO 0.00 -1.23 1.16 -1.25 0.02 0.00 0.00 175.30 174.00 3gzi s PRO 11 N -1.02 3.34 0.73 3.54 0.04 -1.26 -5.00 135.00 135.37 3gzi s PRO 11 Ca 0.23 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.84 3gzi s PRO 11 Cb -0.12 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.39 3gzi s PRO 11 CO -0.10 -0.88 1.12 -1.54 0.04 0.00 0.00 177.00 175.63 3gzi s SER 12 N -1.64 4.59 0.40 6.66 1.04 -1.26 -4.87 113.70 118.62 3gzi s SER 12 Ca 0.72 2.00 0.14 0.00 0.48 0.00 0.00 55.95 59.29 3gzi s SER 12 Cb -0.27 -2.55 1.00 0.00 0.10 0.00 0.00 66.02 64.30 3gzi s SER 12 CO 0.30 -1.98 1.88 1.23 0.98 0.00 0.00 173.24 175.65 3gzi h GLY 13 N -0.59 0.92 0.86 7.32 0.00 -1.99 -1.90 103.07 107.70 3gzi h GLY 13 Ca -0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 3gzi h GLY 13 CO 0.51 0.04 0.05 -0.55 0.00 0.00 0.00 176.54 176.60 3gzi h ASP 14 N 0.49 0.21 0.25 0.19 3.32 -1.99 0.11 116.42 119.00 3gzi h ASP 14 Ca 0.43 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 57.15 3gzi h ASP 14 Cb 0.93 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 3gzi h ASP 14 CO -0.17 0.35 -0.56 0.71 -1.72 0.00 0.00 179.24 177.85 3gzi h THR 15 N 0.07 1.36 -0.14 0.35 1.35 -1.91 -2.48 112.91 111.50 3gzi h THR 15 Ca 0.05 -1.86 -0.00 0.00 -0.55 0.00 0.00 66.41 64.04 3gzi h THR 15 Cb 0.21 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 3gzi h THR 15 CO -0.00 0.56 0.08 1.56 -0.25 0.00 0.00 175.52 177.47 3gzi h GLN 16 N 0.25 0.20 -0.71 4.72 4.20 -1.15 -1.44 115.11 121.19 3gzi h GLN 16 Ca 0.00 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.77 3gzi h GLN 16 Cb 1.06 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 3gzi h GLN 16 CO 0.09 0.20 0.38 -0.91 -0.67 0.00 0.00 178.83 177.92 3gzi h ASN 17 N 0.14 0.53 -0.47 1.46 2.35 -0.76 0.27 115.58 119.11 3gzi h ASN 17 Ca 0.05 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3gzi h ASN 17 Cb 0.06 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3gzi h ASN 17 CO -0.01 0.32 0.29 -0.09 -1.65 0.00 0.00 177.43 176.29 3gzi h ARG 18 N 0.66 0.63 -0.10 0.81 2.43 -1.21 -2.35 114.38 115.26 3gzi h ARG 18 Ca 0.33 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.34 3gzi h ARG 18 Cb 0.29 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3gzi h ARG 18 CO -0.23 0.45 -0.43 -0.44 -1.51 0.00 0.00 179.97 177.82 3gzi h ASP 19 N 0.63 0.23 -0.80 -3.80 3.32 -0.82 -2.50 116.42 112.68 3gzi h ASP 19 Ca 0.17 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3gzi h ASP 19 Cb -0.02 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3gzi h ASP 19 CO -0.03 0.64 0.52 0.11 -1.72 0.00 0.00 179.24 178.76 3gzi h LYS 20 N 0.18 1.02 -0.40 3.56 1.57 -0.23 -0.02 116.57 122.24 3gzi h LYS 20 Ca 0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3gzi h LYS 20 Cb 0.84 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3gzi h LYS 20 CO 0.07 0.67 0.13 -0.07 -0.57 0.00 0.00 179.45 179.68 3gzi h LEU 21 N 1.05 0.58 -0.13 2.94 3.38 -1.23 0.39 115.31 122.30 3gzi h LEU 21 Ca 0.31 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3gzi h LEU 21 Cb -0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3gzi h LEU 21 CO -0.09 0.62 -0.06 0.40 0.09 0.00 0.00 178.44 179.41 3gzi h ILE 22 N 0.51 0.81 -0.13 1.22 1.08 -1.19 -0.40 117.51 119.40 3gzi h ILE 22 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 3gzi h ILE 22 Cb 0.24 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 3gzi h ILE 22 CO -0.01 0.00 0.08 0.25 -0.69 0.00 0.00 178.15 177.79 3gzi h LEU 23 N -0.05 0.15 -0.74 1.44 5.85 -0.81 -0.93 115.31 120.24 3gzi h LEU 23 Ca 0.07 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.84 3gzi h LEU 23 Cb 0.15 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3gzi h LEU 23 CO -0.16 0.12 0.42 0.00 -0.34 0.00 0.00 178.44 178.48 3gzi h ALA 24 N 1.04 1.01 -0.37 1.25 0.00 -0.72 -0.88 119.26 120.58 3gzi h ALA 24 Ca 0.05 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3gzi h ALA 24 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3gzi h ALA 24 CO -0.01 0.09 0.18 0.00 0.00 0.00 0.00 179.25 179.51 3gzi h ALA 25 N 1.38 0.46 -1.01 0.00 0.00 -0.77 -1.04 119.26 118.29 3gzi h ALA 25 Ca 0.34 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3gzi h ALA 25 Cb 0.23 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3gzi h ALA 25 CO -0.20 -0.19 0.67 -0.09 0.00 0.00 0.00 179.25 179.44 3gzi h ARG 26 N 0.37 1.33 -0.12 0.00 2.43 -0.29 -3.09 114.38 115.01 3gzi h ARG 26 Ca 0.16 -0.08 -0.23 0.00 -0.81 0.00 0.00 59.98 59.02 3gzi h ARG 26 Cb 0.07 -0.30 0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3gzi h ARG 26 CO -0.11 0.88 -0.83 -0.91 -1.51 0.00 0.00 179.97 177.49 3gzi h ASN 27 N 1.37 0.90 0.00 -3.80 2.35 -0.95 -0.03 115.58 115.42 3gzi h ASN 27 Ca 0.37 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3gzi h ASN 27 Cb -0.16 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 37.94 3gzi h ASN 27 CO -0.08 1.41 0.00 0.18 -1.65 0.00 0.00 177.43 177.29 3gzi n LEU 28 N -3.91 0.57 0.04 1.61 4.77 -0.41 -0.79 117.00 118.89 3gzi n LEU 28 Ca -0.08 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3gzi n LEU 28 Cb 0.77 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3gzi n LEU 28 CO 0.53 0.14 -0.14 0.33 -1.33 0.00 0.00 177.39 176.92 3gzi n PHE 29 N 0.11 -0.58 0.09 -1.77 -0.00 -1.08 -4.14 117.46 110.09 3gzi n PHE 29 Ca 0.00 0.10 -0.13 0.00 -0.00 0.00 0.00 57.45 57.42 3gzi n PHE 29 Cb 0.14 0.27 -0.08 0.00 -0.00 0.00 0.00 39.48 39.81 3gzi n PHE 29 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3gzi h ILE 30 N 0.00 0.96 0.00 -2.13 2.04 -0.98 -3.38 117.51 114.02 3gzi h ILE 30 Ca 0.00 -0.48 -0.13 0.00 1.00 0.00 0.00 64.86 65.25 3gzi h ILE 30 Cb 0.28 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3gzi h ILE 30 CO 0.00 0.11 -1.56 -0.62 0.00 0.00 0.00 178.15 176.08 3gzi n GLU 31 N -5.07 0.63 0.00 2.37 1.02 0.03 -5.07 120.64 114.56 3gzi n GLU 31 Ca -0.09 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3gzi n GLU 31 Cb 0.19 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 3gzi n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3gzi n ARG 32 N -2.72 0.00 -0.68 3.49 1.74 -1.20 -5.03 116.66 112.26 3gzi n ARG 32 Ca -0.10 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.79 3gzi n ARG 32 Cb 0.78 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.23 3gzi n ARG 32 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3gzi n PRO 33 N 0.00 0.00 0.00 5.56 -0.02 -1.26 -4.53 135.00 134.75 3gzi n PRO 33 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gzi n PRO 33 Cb 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3gzi n PRO 33 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3gzi n TYR 34 N -2.47 0.00 0.00 6.00 4.11 -1.26 -4.70 117.16 118.84 3gzi n TYR 34 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 3gzi n TYR 34 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.71 3gzi n TYR 34 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3gzi n ALA 35 N -3.00 0.00 -2.22 -3.48 0.00 -1.26 -4.60 120.51 105.95 3gzi n ALA 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3gzi n ALA 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3gzi n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gzi n GLN 36 N -0.93 3.29 -2.38 0.00 0.00 -1.26 -4.91 117.38 111.20 3gzi n GLN 36 Ca 0.00 -3.22 -0.42 0.00 0.00 0.00 0.00 57.00 53.36 3gzi n GLN 36 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 30.24 27.09 3gzi n GLN 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3gzi s VAL 37 N 1.84 3.78 0.69 -0.39 1.01 -1.26 -5.03 120.40 121.04 3gzi s VAL 37 Ca 0.44 1.35 -0.09 0.00 0.00 0.00 0.00 61.98 63.68 3gzi s VAL 37 Cb 0.09 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.64 3gzi s VAL 37 CO -0.02 0.15 1.04 -0.94 0.00 0.00 0.00 175.10 175.33 3gzi s SER 38 N 0.71 5.16 0.19 3.32 1.04 -1.26 -4.93 113.70 117.92 3gzi s SER 38 Ca 0.57 0.80 -0.12 0.00 0.48 0.00 0.00 55.95 57.68 3gzi s SER 38 Cb -0.31 -1.56 0.15 0.00 0.10 0.00 0.00 66.02 64.39 3gzi s SER 38 CO 0.32 -1.43 1.80 0.40 0.98 0.00 0.00 173.24 175.31 3gzi h ILE 39 N -0.59 0.99 -0.41 -1.02 2.04 -1.96 -2.46 117.51 114.11 3gzi h ILE 39 Ca -0.45 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3gzi h ILE 39 Cb 1.28 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3gzi h ILE 39 CO 0.63 0.11 0.17 -0.09 0.00 0.00 0.00 178.15 178.96 3gzi h ARG 40 N 0.59 0.57 -0.23 2.37 2.43 -1.93 -0.83 114.38 117.35 3gzi h ARG 40 Ca 0.24 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.19 3gzi h ARG 40 Cb 0.10 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3gzi h ARG 40 CO -0.14 0.47 -0.44 0.93 -1.51 0.00 0.00 179.97 179.28 3gzi h GLU 41 N 0.57 0.70 -0.32 0.20 5.08 -1.90 -1.57 114.58 117.34 3gzi h GLU 41 Ca 0.14 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3gzi h GLU 41 Cb 0.11 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3gzi h GLU 41 CO -0.02 1.07 0.20 0.82 -1.00 0.00 0.00 179.01 180.08 3gzi h ILE 42 N 0.41 1.10 -0.32 3.13 2.04 -0.96 -1.31 117.51 121.60 3gzi h ILE 42 Ca 0.01 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 3gzi h ILE 42 Cb 1.04 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3gzi h ILE 42 CO 0.10 0.10 -0.23 0.00 0.00 0.00 0.00 178.15 178.12 3gzi h ALA 43 N 1.09 1.01 -0.37 1.87 0.00 -1.18 -0.64 119.26 121.04 3gzi h ALA 43 Ca 0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3gzi h ALA 43 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gzi h ALA 43 CO -0.02 0.59 0.03 1.03 0.00 0.00 0.00 179.25 180.87 3gzi h SER 44 N 0.54 0.62 -0.79 0.00 0.87 -1.20 0.16 113.55 113.74 3gzi h SER 44 Ca 0.08 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3gzi h SER 44 Cb 0.68 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 3gzi h SER 44 CO 0.05 0.75 0.50 0.25 -0.53 0.00 0.00 176.83 177.85 3gzi h LEU 45 N 0.47 0.93 -0.88 2.23 5.85 -0.96 -2.82 115.31 120.13 3gzi h LEU 45 Ca 0.11 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3gzi h LEU 45 Cb 0.42 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3gzi h LEU 45 CO 0.01 0.70 -0.53 0.00 -0.34 0.00 0.00 178.44 178.28 3gzi h ALA 46 N 1.27 1.04 -0.64 1.25 0.00 -0.95 -3.47 119.26 117.76 3gzi h ALA 46 Ca 0.29 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gzi h ALA 46 Cb -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3gzi h ALA 46 CO -0.06 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.26 3gzi n GLY 47 N 0.14 0.80 3.39 0.00 0.00 0.38 -4.85 105.19 105.04 3gzi n GLY 47 Ca -0.01 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 3gzi n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gzi s THR 48 N -2.64 1.57 0.18 2.61 -4.23 -0.18 -5.03 115.64 107.93 3gzi s THR 48 Ca 0.00 -2.13 -0.33 0.00 -1.18 0.00 0.00 61.69 58.04 3gzi s THR 48 Cb 0.00 -2.31 -0.14 0.00 1.34 0.00 0.00 72.50 71.39 3gzi s THR 48 CO 0.00 -0.40 1.52 -0.67 -0.54 0.00 0.00 174.62 174.53 3gzi n ASP 49 N -0.49 2.92 0.31 3.99 2.03 -1.26 -4.41 116.55 119.63 3gzi n ASP 49 Ca -0.06 1.10 0.19 0.00 0.52 0.00 0.00 54.79 56.54 3gzi n ASP 49 Cb 0.63 -1.41 0.98 0.00 -0.72 0.00 0.00 41.12 40.59 3gzi n ASP 49 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3gzi h PRO 50 N 5.40 0.00 0.00 -0.67 0.13 -1.90 -2.43 132.00 132.53 3gzi h PRO 50 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3gzi h PRO 50 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3gzi h PRO 50 CO 0.85 0.02 -0.06 0.78 -0.23 0.00 0.00 178.00 179.36 3gzi h GLY 51 N 0.62 0.00 2.00 1.56 0.00 -1.96 -3.08 103.07 102.21 3gzi h GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gzi h GLY 51 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3gzi h LEU 52 N 0.00 0.00 0.34 3.11 3.38 -1.82 -2.07 115.31 118.26 3gzi h LEU 52 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gzi h LEU 52 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3gzi h LEU 52 CO 0.01 0.00 -0.16 0.40 0.09 0.00 0.00 178.44 178.77 3gzi h ILE 53 N 0.00 0.63 -0.49 1.22 5.03 -1.75 -0.65 117.51 121.50 3gzi h ILE 53 Ca 0.00 -0.55 -0.04 0.00 -0.12 0.00 0.00 64.86 64.15 3gzi h ILE 53 Cb 0.45 0.90 -0.02 0.00 -3.03 0.00 0.00 36.82 35.12 3gzi h ILE 53 CO 0.00 0.10 0.15 -0.09 -0.68 0.00 0.00 178.15 177.63 3gzi h ARG 54 N -0.79 0.72 0.32 2.37 1.12 -1.76 0.10 114.38 116.47 3gzi h ARG 54 Ca -0.05 -0.12 -0.02 0.00 -1.11 0.00 0.00 59.98 58.69 3gzi h ARG 54 Cb 0.52 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 3gzi h ARG 54 CO 0.08 0.63 -0.16 -0.92 -3.11 0.00 0.00 179.97 176.49 3gzi h TYR 55 N 0.71 -0.40 0.03 2.20 3.20 -1.29 0.23 116.97 121.65 3gzi h TYR 55 Ca 0.16 -0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.81 3gzi h TYR 55 Cb 0.21 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3gzi h TYR 55 CO 0.01 -0.16 -0.99 1.88 -1.64 0.00 0.00 178.16 177.26 3gzi h TYR 56 N -0.58 0.23 0.00 -3.82 0.05 -1.08 -3.40 116.97 108.37 3gzi h TYR 56 Ca -0.04 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.59 3gzi h TYR 56 Cb 0.43 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.15 3gzi h TYR 56 CO -0.02 1.04 0.00 1.19 -1.05 0.00 0.00 178.16 179.32 3gzi n PHE 57 N -3.53 0.00 0.00 4.88 3.72 0.34 -5.02 117.46 117.84 3gzi n PHE 57 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3gzi n PHE 57 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 3gzi n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gzi n GLY 58 N 0.73 1.61 3.25 1.37 0.00 0.07 -4.52 105.19 107.69 3gzi n GLY 58 Ca 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 3gzi n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gzi s SER 59 N 0.00 0.14 0.33 1.61 1.04 -1.26 -4.57 113.70 110.98 3gzi s SER 59 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3gzi s SER 59 Cb 0.00 0.37 0.55 0.00 0.10 0.00 0.00 66.02 67.03 3gzi s SER 59 CO 0.00 -0.79 1.98 0.50 0.98 0.00 0.00 173.24 175.90 3gzi h LYS 60 N 2.70 0.92 -0.61 4.02 3.64 -1.89 -2.22 116.57 123.14 3gzi h LYS 60 Ca -0.33 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 58.89 3gzi h LYS 60 Cb 1.21 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 3gzi h LYS 60 CO 0.54 0.63 0.03 0.93 -2.27 0.00 0.00 179.45 179.30 3gzi h GLU 61 N 0.94 1.06 -0.07 1.90 3.07 -1.94 -1.40 114.58 118.14 3gzi h GLU 61 Ca 0.25 -0.32 -0.14 0.00 -0.50 0.00 0.00 59.36 58.65 3gzi h GLU 61 Cb -0.07 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 3gzi h GLU 61 CO -0.05 1.02 -0.56 -0.22 -1.40 0.00 0.00 179.01 177.80 3gzi h LYS 62 N 0.96 0.21 -0.07 2.33 1.63 -1.78 0.00 116.57 119.85 3gzi h LYS 62 Ca 0.18 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3gzi h LYS 62 Cb 0.53 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3gzi h LYS 62 CO 0.03 0.71 -0.01 1.25 -3.45 0.00 0.00 179.45 177.98 3gzi h LEU 63 N 0.16 -0.05 -0.33 5.20 5.85 -1.17 -0.04 115.31 124.94 3gzi h LEU 63 Ca -0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3gzi h LEU 63 Cb 1.04 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3gzi h LEU 63 CO 0.09 -0.01 0.19 -0.26 -0.34 0.00 0.00 178.44 178.10 3gzi h PHE 64 N 0.01 0.45 -0.41 1.25 0.04 -1.03 -2.86 116.94 114.40 3gzi h PHE 64 Ca 0.03 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.86 3gzi h PHE 64 Cb 0.04 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 37.99 3gzi h PHE 64 CO -0.12 0.35 0.07 0.77 -0.60 0.00 0.00 178.31 178.78 3gzi h SER 65 N 0.42 -0.02 0.00 2.17 0.02 -0.91 -1.46 113.55 113.76 3gzi h SER 65 Ca 0.12 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3gzi h SER 65 Cb 0.05 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3gzi h SER 65 CO -0.02 0.03 0.00 0.41 -1.14 0.00 0.00 176.83 176.11 3gzi n THR 66 N -5.11 0.15 0.00 -2.27 -1.04 -0.04 -1.86 114.28 104.11 3gzi n THR 66 Ca 0.03 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3gzi n THR 66 Cb 0.19 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 3gzi n THR 66 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3gzi n ILE 68 N 0.95 0.00 -0.13 12.58 5.41 -0.55 -1.48 119.36 136.13 3gzi n ILE 68 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 3gzi n ILE 68 Cb 0.07 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.99 3gzi n ILE 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 3gzi h HIS 69 N 0.00 0.63 -0.56 1.39 3.86 -1.65 -1.24 115.15 117.58 3gzi h HIS 69 Ca 0.00 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.05 3gzi h HIS 69 Cb 0.00 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3gzi h HIS 69 CO 0.00 0.59 -0.01 0.93 0.86 0.00 0.00 177.93 180.30 3gzi h GLU 70 N 0.48 0.98 -0.52 2.45 5.08 -1.54 -2.37 114.58 119.15 3gzi h GLU 70 Ca 0.13 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 3gzi h GLU 70 Cb 0.26 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3gzi h GLU 70 CO -0.00 0.97 0.05 1.15 -1.00 0.00 0.00 179.01 180.18 3gzi h THR 71 N 0.90 1.24 0.00 1.13 2.02 -1.77 -3.40 112.91 113.04 3gzi h THR 71 Ca 0.16 -0.96 -0.11 0.00 0.77 0.00 0.00 66.41 66.27 3gzi h THR 71 Cb 0.54 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 3gzi h THR 71 CO 0.03 0.35 -0.22 0.00 0.37 0.00 0.00 175.52 176.04 3gzi n ALA 72 N -2.47 5.32 0.00 6.16 0.00 -0.48 -4.35 120.51 124.69 3gzi n ALA 72 Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3gzi n ALA 72 Cb 0.28 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3gzi n ALA 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gzi n PRO 74 N 2.13 0.00 0.15 0.00 -0.04 -1.26 -0.82 135.00 135.15 3gzi n PRO 74 Ca 0.25 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.57 3gzi n PRO 74 Cb 0.73 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.11 3gzi n PRO 74 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gzi h VAL 75 N 0.00 0.78 -0.27 0.52 2.07 -1.93 -1.12 116.25 116.30 3gzi h VAL 75 Ca 0.00 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3gzi h VAL 75 Cb 0.00 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3gzi h VAL 75 CO 0.00 0.03 -0.09 -0.07 0.02 0.00 0.00 177.57 177.46 3gzi h LEU 76 N -0.39 0.41 -0.09 2.57 3.38 -1.34 -1.54 115.31 118.31 3gzi h LEU 76 Ca -0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3gzi h LEU 76 Cb 0.30 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3gzi h LEU 76 CO 0.05 0.55 0.01 0.00 0.09 0.00 0.00 178.44 179.15 3gzi h ALA 77 N 1.50 0.12 -0.27 1.53 0.00 -1.76 -0.79 119.26 119.58 3gzi h ALA 77 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3gzi h ALA 77 Cb 0.42 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3gzi h ALA 77 CO 0.02 -0.24 0.10 1.96 0.00 0.00 0.00 179.25 181.10 3gzi h GLN 78 N -0.09 0.23 -0.44 0.00 4.20 -0.96 -0.14 115.11 117.91 3gzi h GLN 78 Ca 0.03 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.77 3gzi h GLN 78 Cb 0.28 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 3gzi h GLN 78 CO 0.00 0.15 0.17 -0.07 -0.67 0.00 0.00 178.83 178.41 3gzi h LEU 79 N 0.23 0.19 -0.65 1.46 3.38 -1.25 0.54 115.31 119.21 3gzi h LEU 79 Ca 0.12 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3gzi h LEU 79 Cb 0.08 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3gzi h LEU 79 CO -0.11 0.14 0.32 -0.74 0.09 0.00 0.00 178.44 178.14 3gzi h HIS 80 N 0.34 0.93 -0.27 1.13 2.76 -0.80 -0.07 115.15 119.18 3gzi h HIS 80 Ca 0.20 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3gzi h HIS 80 Cb 0.18 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 3gzi h HIS 80 CO -0.14 0.70 0.14 -0.22 -1.30 0.00 0.00 177.93 177.10 3gzi h LYS 81 N 0.90 0.38 -0.27 5.26 3.64 -0.74 -1.65 116.57 124.10 3gzi h LYS 81 Ca 0.22 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3gzi h LYS 81 Cb 0.11 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3gzi h LYS 81 CO -0.03 0.36 0.16 0.00 -2.27 0.00 0.00 179.45 177.67 3gzi h ALA 82 N 1.01 1.78 0.00 5.00 0.00 -0.40 -2.93 119.26 123.71 3gzi h ALA 82 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gzi h ALA 82 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gzi h ALA 82 CO -0.01 0.20 -0.85 0.54 0.00 0.00 0.00 179.25 179.12 3gzi n ARG 83 N -4.48 0.36 -0.35 0.00 1.74 -0.08 -3.94 116.66 109.90 3gzi n ARG 83 Ca 0.01 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 3gzi n ARG 83 Cb 0.08 -1.68 0.31 0.00 -1.02 0.00 0.00 32.46 30.15 3gzi n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gzi h ARG 84 N 0.00 0.78 0.00 5.56 3.08 -1.11 -2.19 114.38 120.49 3gzi h ARG 84 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3gzi h ARG 84 Cb 0.79 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3gzi h ARG 84 CO 0.00 0.51 0.00 0.39 -1.07 0.00 0.00 179.97 179.80 3gzi n GLU 85 N -4.73 0.03 -3.68 0.04 4.71 -1.25 -4.94 120.64 110.81 3gzi n GLU 85 Ca 0.23 0.34 -0.22 0.00 -0.01 0.00 0.00 57.16 57.49 3gzi n GLU 85 Cb 0.54 -1.55 -0.04 0.00 -1.01 0.00 0.00 31.44 29.38 3gzi n GLU 85 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3gzi s THR 86 N -3.05 2.52 0.23 2.62 -4.23 -0.83 -5.11 115.64 107.79 3gzi s THR 86 Ca 0.05 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 3gzi s THR 86 Cb 0.07 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 3gzi s THR 86 CO 0.22 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.76 3gzi s ARG 87 N -4.10 3.61 0.45 3.99 3.03 -1.26 -5.04 118.95 119.62 3gzi s ARG 87 Ca 0.46 -0.10 -0.21 0.00 2.03 0.00 0.00 55.73 57.91 3gzi s ARG 87 Cb -0.02 -2.75 -0.12 0.00 -1.03 0.00 0.00 34.95 31.04 3gzi s ARG 87 CO 0.27 0.33 0.53 0.00 -1.13 0.00 0.00 175.30 175.30 3gzi n GLN 88 N -0.56 0.57 -1.21 3.89 0.00 -1.26 -3.49 117.38 115.32 3gzi n GLN 88 Ca -0.03 0.21 -0.54 0.00 0.00 0.00 0.00 57.00 56.64 3gzi n GLN 88 Cb 0.53 -1.55 -0.10 0.00 0.00 0.00 0.00 30.24 29.12 3gzi n GLN 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3gzi n GLU 89 N 0.48 0.00 -3.95 2.61 4.71 -1.26 -4.92 120.64 118.31 3gzi n GLU 89 Ca 0.11 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.96 3gzi n GLU 89 Cb 0.41 -1.31 -0.15 0.00 -1.01 0.00 0.00 31.44 29.38 3gzi n GLU 89 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3gzi s SER 90 N 4.58 4.03 0.28 1.62 0.15 -1.23 -5.01 113.70 118.13 3gzi s SER 90 Ca 1.02 -1.35 0.02 0.00 0.70 0.00 0.00 55.95 56.34 3gzi s SER 90 Cb -1.31 -1.24 0.66 0.00 -1.71 0.00 0.00 66.02 62.41 3gzi s SER 90 CO 0.61 -0.26 1.70 -0.65 1.20 0.00 0.00 173.24 175.84 3gzi h PRO 91 N 7.91 0.39 -0.34 5.44 0.11 -1.93 -2.61 132.00 140.96 3gzi h PRO 91 Ca -0.16 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.97 3gzi h PRO 91 Cb 1.06 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 3gzi h PRO 91 CO 0.43 0.26 0.09 0.00 -0.21 0.00 0.00 178.00 178.57 3gzi h ALA 92 N 1.68 0.37 -0.45 -0.75 0.00 -1.95 -1.65 119.26 116.50 3gzi h ALA 92 Ca 0.52 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.45 3gzi h ALA 92 Cb 0.95 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3gzi h ALA 92 CO -0.51 -0.32 0.10 0.00 0.00 0.00 0.00 179.25 178.53 3gzi h ALA 93 N 1.24 1.34 -0.61 0.00 0.00 -1.86 0.67 119.26 120.02 3gzi h ALA 93 Ca 0.16 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3gzi h ALA 93 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gzi h ALA 93 CO -0.19 0.47 0.04 -0.07 0.00 0.00 0.00 179.25 179.51 3gzi h LEU 94 N 0.66 1.01 0.03 0.00 3.38 -1.15 -1.74 115.31 117.51 3gzi h LEU 94 Ca 0.15 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 3gzi h LEU 94 Cb 0.26 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3gzi h LEU 94 CO -0.00 1.04 -0.66 0.25 0.09 0.00 0.00 178.44 179.16 3gzi h LEU 95 N 0.96 0.52 -0.38 1.67 6.46 -0.83 -1.59 115.31 122.12 3gzi h LEU 95 Ca 0.18 -0.81 0.03 0.00 -0.12 0.00 0.00 57.88 57.17 3gzi h LEU 95 Cb 0.50 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 3gzi h LEU 95 CO 0.02 1.27 0.19 1.56 -0.62 0.00 0.00 178.44 180.86 3gzi h GLN 96 N -0.16 0.37 -0.21 1.25 4.20 -0.85 -1.20 115.11 118.51 3gzi h GLN 96 Ca -0.09 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.40 3gzi h GLN 96 Cb 1.40 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.10 3gzi h GLN 96 CO 0.13 0.24 -0.65 1.79 -0.67 0.00 0.00 178.83 179.67 3gzi h THR 97 N 0.38 1.29 -0.41 -0.54 1.35 -1.37 -1.76 112.91 111.85 3gzi h THR 97 Ca 0.16 -1.87 0.08 0.00 -0.55 0.00 0.00 66.41 64.24 3gzi h THR 97 Cb 0.08 1.82 -0.08 0.00 -1.73 0.00 0.00 68.15 68.24 3gzi h THR 97 CO -0.12 0.60 -0.08 0.22 -0.25 0.00 0.00 175.52 175.89 3gzi h TYR 98 N 0.56 -0.17 -0.52 4.73 3.20 -1.18 -0.96 116.97 122.63 3gzi h TYR 98 Ca -0.02 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3gzi h TYR 98 Cb 1.26 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 3gzi h TYR 98 CO 0.07 -0.16 0.02 1.88 -1.64 0.00 0.00 178.16 178.34 3gzi h TYR 99 N 0.02 0.92 -0.65 -3.82 -1.99 -1.08 -2.94 116.97 107.43 3gzi h TYR 99 Ca 0.20 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 3gzi h TYR 99 Cb 0.30 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 3gzi h TYR 99 CO -0.34 0.82 0.20 1.03 -0.00 0.00 0.00 178.16 179.88 3gzi h SER 100 N 0.80 0.94 -0.06 3.88 0.87 -0.95 -0.89 113.55 118.14 3gzi h SER 100 Ca 0.16 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3gzi h SER 100 Cb 0.45 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3gzi h SER 100 CO 0.02 0.89 0.04 0.52 -0.53 0.00 0.00 176.83 177.77 3gzi n VAL 101 N -4.36 1.03 0.00 2.23 0.31 -0.40 -4.01 118.33 113.14 3gzi n VAL 101 Ca 0.04 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3gzi n VAL 101 Cb 0.21 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 3gzi n VAL 101 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gzi n SER 103 N 0.35 0.00 0.06 4.52 2.88 -0.34 -2.77 113.62 118.32 3gzi n SER 103 Ca 0.04 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.70 3gzi n SER 103 Cb 0.55 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.28 3gzi n SER 103 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gzi n LYS 104 N 0.00 0.22 -3.03 -1.46 5.02 -1.26 -4.29 118.16 113.36 3gzi n LYS 104 Ca 0.00 0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.19 3gzi n LYS 104 Cb 0.00 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 33.32 3gzi n LYS 104 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3gzi n HIS 105 N -2.01 1.36 0.31 2.13 8.25 -1.11 -4.97 115.22 119.17 3gzi n HIS 105 Ca 0.04 -3.70 0.18 0.00 -0.26 0.00 0.00 57.72 53.99 3gzi n HIS 105 Cb 0.41 -0.41 0.99 0.00 1.12 0.00 0.00 29.99 32.10 3gzi n HIS 105 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gzi h PRO 106 N 2.97 0.00 -0.01 -0.41 0.13 -1.88 -0.10 132.00 132.70 3gzi h PRO 106 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3gzi h PRO 106 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3gzi h PRO 106 CO 0.59 0.02 -0.30 0.72 -0.23 0.00 0.00 178.00 178.80 3gzi n HIS 107 N -3.44 0.00 -0.04 1.56 8.25 -1.26 -4.48 115.22 115.81 3gzi n HIS 107 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3gzi n HIS 107 Cb 0.12 -0.11 -0.08 0.00 1.12 0.00 0.00 29.99 31.05 3gzi n HIS 107 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3gzi h PHE 108 N 1.35 0.23 -0.98 4.41 3.57 -1.40 -2.34 116.94 121.78 3gzi h PHE 108 Ca 0.00 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.49 3gzi h PHE 108 Cb 0.54 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 3gzi h PHE 108 CO 0.00 0.57 0.64 -1.35 -2.23 0.00 0.00 178.31 175.93 3gzi h PRO 109 N -0.18 1.16 -0.32 6.41 0.11 -1.79 -2.62 132.00 134.78 3gzi h PRO 109 Ca 0.02 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.92 3gzi h PRO 109 Cb 0.51 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3gzi h PRO 109 CO 0.01 0.77 -0.38 -0.09 -0.21 0.00 0.00 178.00 178.11 3gzi h ARG 110 N 1.20 0.74 -0.24 1.05 2.43 -1.76 -0.38 114.38 117.41 3gzi h ARG 110 Ca 0.41 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3gzi h ARG 110 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3gzi h ARG 110 CO -0.15 0.99 0.00 -0.11 -1.51 0.00 0.00 179.97 179.19 3gzi n LEU 111 N -4.05 0.02 0.00 3.80 7.94 -0.88 -0.88 117.00 122.94 3gzi n LEU 111 Ca -0.02 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3gzi n LEU 111 Cb 0.52 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.46 3gzi n LEU 111 CO 0.46 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.64 3gzi n LEU 113 N 0.55 0.00 -0.11 -1.96 7.94 -0.15 -1.62 117.00 121.64 3gzi n LEU 113 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3gzi n LEU 113 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 3gzi n LEU 113 CO 0.00 0.00 1.02 -0.09 -1.11 0.00 0.00 177.39 177.21 3gzi h ARG 114 N 0.00 0.48 -0.55 1.96 2.43 -1.27 -2.48 114.38 114.95 3gzi h ARG 114 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3gzi h ARG 114 Cb 0.00 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3gzi h ARG 114 CO 0.00 0.31 0.28 0.82 -1.51 0.00 0.00 179.97 179.87 3gzi h ILE 115 N 0.49 1.20 0.00 1.20 2.04 -1.56 -2.57 117.51 118.30 3gzi h ILE 115 Ca 0.13 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3gzi h ILE 115 Cb -0.05 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3gzi h ILE 115 CO -0.03 0.22 -0.00 0.00 0.00 0.00 0.00 178.15 178.33 3gzi h ALA 116 N 1.11 1.19 -0.08 1.87 0.00 -1.78 -1.84 119.26 119.73 3gzi h ALA 116 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gzi h ALA 116 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gzi h ALA 116 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3gzi n GLY 117 N -1.12 0.23 3.76 0.00 0.00 -0.95 -4.92 105.19 102.18 3gzi n GLY 117 Ca -0.03 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 3gzi n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gzi s LEU 118 N -1.83 3.52 -0.56 0.99 1.43 -0.69 -4.91 118.68 116.63 3gzi s LEU 118 Ca 0.35 2.20 -0.27 0.00 -1.03 0.00 0.00 54.13 55.38 3gzi s LEU 118 Cb 0.20 -4.58 -0.00 0.00 0.03 0.00 0.00 46.19 41.84 3gzi s LEU 118 CO 0.31 -1.65 1.60 -0.62 0.23 0.00 0.00 176.35 176.22 3gzi s ASP 119 N -2.06 5.83 0.00 2.29 -1.08 -1.26 -4.85 116.67 115.54 3gzi s ASP 119 Ca 0.72 0.39 0.21 0.00 -0.52 0.00 0.00 52.55 53.35 3gzi s ASP 119 Cb -0.25 -2.54 1.15 0.00 -1.46 0.00 0.00 42.92 39.82 3gzi s ASP 119 CO 0.37 -1.93 1.68 0.00 0.52 0.00 0.00 175.17 175.80 3gzi n GLN 120 N 8.84 0.45 0.03 4.34 6.02 -1.26 -2.16 117.38 133.64 3gzi n GLN 120 Ca 0.16 0.06 0.13 0.00 -0.01 0.00 0.00 57.00 57.33 3gzi n GLN 120 Cb 0.50 -1.50 0.35 0.00 1.02 0.00 0.00 30.24 30.61 3gzi n GLN 120 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3gzi n SER 121 N -1.18 0.45 -4.76 1.08 3.41 -1.26 -4.84 113.62 106.52 3gzi n SER 121 Ca 0.12 0.15 -0.39 0.00 -0.26 0.00 0.00 58.87 58.50 3gzi n SER 121 Cb 0.13 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3gzi n SER 121 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gzi s LEU 122 N -3.49 4.43 0.36 1.04 1.43 -0.92 -4.98 118.68 116.56 3gzi s LEU 122 Ca 0.11 1.23 0.08 0.00 -1.03 0.00 0.00 54.13 54.52 3gzi s LEU 122 Cb 0.16 -2.99 0.69 0.00 0.03 0.00 0.00 46.19 44.08 3gzi s LEU 122 CO 0.64 0.09 1.86 1.55 0.23 0.00 0.00 176.35 180.72 3gzi h PRO 123 N 5.58 0.27 0.00 1.29 0.13 -1.90 -1.78 132.00 135.59 3gzi h PRO 123 Ca -0.45 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3gzi h PRO 123 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3gzi h PRO 123 CO 0.70 0.45 0.28 0.93 -0.23 0.00 0.00 178.00 180.13 3gzi h GLU 124 N 0.25 0.00 -0.01 0.86 3.07 -1.95 -2.85 114.58 113.94 3gzi h GLU 124 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3gzi h GLU 124 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3gzi h GLU 124 CO 0.03 0.00 -0.07 0.09 -1.40 0.00 0.00 179.01 177.66 3gzi n ASN 125 N -2.38 1.69 -0.23 1.42 3.02 -0.67 -4.71 115.26 113.40 3gzi n ASN 125 Ca -0.01 -1.34 -0.07 0.00 -0.03 0.00 0.00 54.58 53.12 3gzi n ASN 125 Cb 0.31 0.15 0.04 0.00 -0.61 0.00 0.00 39.78 39.66 3gzi n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gzi h ALA 126 N 2.01 0.81 -0.17 5.41 0.00 -1.53 -0.38 119.26 125.42 3gzi h ALA 126 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3gzi h ALA 126 Cb 0.42 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gzi h ALA 126 CO 0.00 0.38 -0.14 1.49 0.00 0.00 0.00 179.25 180.99 3gzi h GLU 127 N 0.87 0.39 -0.44 0.00 4.81 -1.84 0.59 114.58 118.96 3gzi h GLU 127 Ca 0.22 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 3gzi h GLU 127 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3gzi h GLU 127 CO -0.03 0.74 -0.14 0.28 -0.73 0.00 0.00 179.01 179.14 3gzi h VAL 128 N 0.05 1.26 -0.26 0.32 2.07 -1.80 -2.17 116.25 115.73 3gzi h VAL 128 Ca 0.03 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 3gzi h VAL 128 Cb 0.65 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3gzi h VAL 128 CO 0.04 0.42 0.06 0.74 0.02 0.00 0.00 177.57 178.84 3gzi h THR 129 N 0.72 1.22 -0.57 2.57 2.02 -0.86 -1.18 112.91 116.82 3gzi h THR 129 Ca 0.12 -0.71 0.11 0.00 0.77 0.00 0.00 66.41 66.70 3gzi h THR 129 Cb 0.64 1.19 -0.09 0.00 -1.74 0.00 0.00 68.15 68.16 3gzi h THR 129 CO 0.04 0.23 0.09 0.50 0.37 0.00 0.00 175.52 176.76 3gzi h LYS 130 N 0.24 0.21 -0.47 6.66 3.64 -0.79 -2.20 116.57 123.87 3gzi h LYS 130 Ca 0.08 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3gzi h LYS 130 Cb 0.29 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3gzi h LYS 130 CO 0.00 0.14 0.27 0.00 -2.27 0.00 0.00 179.45 177.60 3gzi h ALA 131 N 1.47 0.60 -0.29 5.00 0.00 -1.24 -2.38 119.26 122.42 3gzi h ALA 131 Ca 0.30 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3gzi h ALA 131 Cb 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3gzi h ALA 131 CO -0.41 -0.04 0.07 0.35 0.00 0.00 0.00 179.25 179.22 3gzi h PHE 132 N 0.55 0.13 -0.04 0.00 3.57 -0.72 -1.30 116.94 119.12 3gzi h PHE 132 Ca 0.19 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 3gzi h PHE 132 Cb 0.03 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3gzi h PHE 132 CO -0.07 0.04 -0.46 1.88 -2.23 0.00 0.00 178.31 177.47 3gzi h TYR 133 N 0.19 0.12 -0.27 0.41 0.05 -1.33 -1.71 116.97 114.44 3gzi h TYR 133 Ca 0.13 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 3gzi h TYR 133 Cb 0.13 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3gzi h TYR 133 CO -0.15 0.55 0.15 0.93 -1.05 0.00 0.00 178.16 178.58 3gzi h GLU 134 N 0.09 0.37 -0.85 4.88 5.08 -1.02 -2.67 114.58 120.46 3gzi h GLU 134 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3gzi h GLU 134 Cb 0.85 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 3gzi h GLU 134 CO 0.06 0.32 0.41 0.28 -1.00 0.00 0.00 179.01 179.08 3gzi h VAL 135 N 0.32 1.26 -0.56 3.13 2.07 -0.62 -2.87 116.25 118.99 3gzi h VAL 135 Ca 0.09 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3gzi h VAL 135 Cb 0.05 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3gzi h VAL 135 CO -0.02 0.32 0.00 1.33 0.02 0.00 0.00 177.57 179.22 3gzi n VAL 136 N -4.30 1.02 0.33 2.57 0.24 -0.70 -4.38 118.33 113.11 3gzi n VAL 136 Ca 0.08 -0.83 0.14 0.00 -2.04 0.00 0.00 64.34 61.70 3gzi n VAL 136 Cb 0.14 0.26 0.61 0.00 -1.47 0.00 0.00 33.84 33.39 3gzi n VAL 136 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3gzi h ASN 137 N 3.35 0.00 0.86 -1.34 7.08 -1.23 -1.79 115.58 122.50 3gzi h ASN 137 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3gzi h ASN 137 Cb 0.93 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.17 3gzi h ASN 137 CO 0.07 0.00 0.00 2.19 -2.08 0.00 0.00 177.43 177.61 3gzi h PHE 138 N 0.00 0.00 -3.76 4.14 -5.15 -1.82 -3.47 116.94 106.89 3gzi h PHE 138 Ca 0.00 0.00 -0.52 0.00 -0.20 0.00 0.00 57.97 57.25 3gzi h PHE 138 Cb 0.35 0.00 0.05 0.00 0.22 0.00 0.00 35.95 36.57 3gzi h PHE 138 CO 0.00 0.00 0.62 -1.21 -2.00 0.00 0.00 178.31 175.72 3gzi s GLU 139 N -3.45 4.40 -1.21 6.09 2.02 -0.68 -4.91 118.70 120.97 3gzi s GLU 139 Ca 0.03 2.13 -0.08 0.00 0.02 0.00 0.00 54.97 57.07 3gzi s GLU 139 Cb 0.09 -3.11 0.21 0.00 0.10 0.00 0.00 34.13 31.42 3gzi s GLU 139 CO 0.45 -0.15 1.69 0.09 0.02 0.00 0.00 175.26 177.37 3gzi n ASN 140 N 1.26 5.49 0.00 -0.19 3.02 -1.26 -4.83 115.26 118.75 3gzi n ASN 140 Ca 0.01 -3.18 0.09 0.00 -0.03 0.00 0.00 54.58 51.48 3gzi n ASN 140 Cb 0.42 -1.43 0.47 0.00 -0.61 0.00 0.00 39.78 38.64 3gzi n ASN 140 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3gzi n ILE 141 N 2.88 0.46 -1.68 2.41 -5.35 -1.26 -2.65 119.36 114.17 3gzi n ILE 141 Ca 0.35 0.12 0.06 0.00 -0.27 0.00 0.00 62.75 63.00 3gzi n ILE 141 Cb 0.36 -0.80 0.11 0.00 -1.74 0.00 0.00 39.64 37.58 3gzi n ILE 141 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gzi n ALA 142 N -1.32 2.69 -0.18 -1.28 0.00 -1.26 -4.89 120.51 114.27 3gzi n ALA 142 Ca 0.08 -2.50 -0.07 0.00 0.00 0.00 0.00 53.44 50.95 3gzi n ALA 142 Cb 0.16 -0.46 0.02 0.00 0.00 0.00 0.00 19.45 19.17 3gzi n ALA 142 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3gzi h ILE 143 N 2.93 1.18 0.00 0.00 2.10 -1.92 -1.38 117.51 120.43 3gzi h ILE 143 Ca -0.04 -0.48 -0.07 0.00 1.08 0.00 0.00 64.86 65.34 3gzi h ILE 143 Cb 1.25 0.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.50 3gzi h ILE 143 CO 0.02 0.20 -0.35 -0.26 -1.08 0.00 0.00 178.15 176.68 3gzi h PHE 144 N 0.70 0.00 -0.40 2.19 0.04 -1.86 -0.78 116.94 116.83 3gzi h PHE 144 Ca 0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3gzi h PHE 144 Cb 0.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3gzi h PHE 144 CO -0.01 0.35 0.24 0.37 -0.60 0.00 0.00 178.31 178.66 3gzi h GLN 145 N 0.00 0.55 -0.62 1.51 5.75 -1.65 -0.33 115.11 120.32 3gzi h GLN 145 Ca -0.00 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 3gzi h GLN 145 Cb 0.73 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 3gzi h GLN 145 CO 0.05 0.41 0.20 0.00 -2.65 0.00 0.00 178.83 176.84 3gzi h ARG 146 N 0.53 0.95 -0.83 1.69 3.08 -0.82 -1.75 114.38 117.23 3gzi h ARG 146 Ca 0.14 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3gzi h ARG 146 Cb 0.00 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 3gzi h ARG 146 CO -0.03 0.84 0.40 -0.07 -1.07 0.00 0.00 179.97 180.05 3gzi h LEU 147 N 0.88 1.09 -0.58 3.04 3.38 -1.05 -1.60 115.31 120.46 3gzi h LEU 147 Ca 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3gzi h LEU 147 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3gzi h LEU 147 CO -0.01 0.91 0.31 0.50 0.09 0.00 0.00 178.44 180.25 3gzi h LYS 148 N 1.18 0.82 0.00 1.13 1.63 -0.77 -0.74 116.57 119.82 3gzi h LYS 148 Ca 0.29 -0.10 -0.10 0.00 -0.85 0.00 0.00 60.65 59.89 3gzi h LYS 148 Cb 0.11 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 3gzi h LYS 148 CO -0.04 0.63 -0.47 -0.44 -3.45 0.00 0.00 179.45 175.68 3gzi h ASP 149 N 0.79 0.00 -0.10 4.20 3.32 -1.02 -2.00 116.42 121.60 3gzi h ASP 149 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3gzi h ASP 149 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3gzi h ASP 149 CO -0.03 0.47 0.00 0.29 -1.72 0.00 0.00 179.24 178.25 3gzi n LYS 150 N -3.95 1.29 -2.73 3.56 5.02 -0.63 -4.91 118.16 115.81 3gzi n LYS 150 Ca -0.02 -0.44 -0.21 0.00 -2.02 0.00 0.00 58.31 55.62 3gzi n LYS 150 Cb 0.50 -1.20 0.02 0.00 -0.02 0.00 0.00 35.03 34.32 3gzi n LYS 150 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gzi n ASN 151 N -0.23 -5.82 -1.14 4.39 3.02 -0.75 -4.93 115.26 109.80 3gzi n ASN 151 Ca 0.09 -0.17 0.12 0.00 -0.03 0.00 0.00 54.58 54.59 3gzi n ASN 151 Cb 0.13 -4.72 0.20 0.00 -0.61 0.00 0.00 39.78 34.78 3gzi n ASN 151 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gzi n LEU 152 N -3.43 3.44 -4.64 3.41 4.77 -0.30 -4.91 117.00 115.34 3gzi n LEU 152 Ca -0.16 -1.45 -0.24 0.00 -0.03 0.00 0.00 56.01 54.13 3gzi n LEU 152 Cb 0.64 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 3gzi n LEU 152 CO 0.38 0.72 -0.34 -0.76 -1.33 0.00 0.00 177.39 176.06 3gzi s LEU 153 N -1.55 3.18 0.61 2.23 1.43 -1.25 -2.65 118.68 120.68 3gzi s LEU 153 Ca 0.38 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 3gzi s LEU 153 Cb 0.23 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 3gzi s LEU 153 CO 0.32 0.03 1.26 0.29 0.23 0.00 0.00 176.35 178.48 3gzi n LYS 154 N -0.60 1.24 -0.28 1.70 5.02 0.88 -4.60 118.16 121.53 3gzi n LYS 154 Ca -0.08 0.47 0.16 0.00 -2.02 0.00 0.00 58.31 56.85 3gzi n LYS 154 Cb 0.58 -2.48 0.44 0.00 -0.02 0.00 0.00 35.03 33.54 3gzi n LYS 154 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3gzi h ASP 155 N 0.78 0.55 -0.52 4.39 3.32 -1.91 -1.45 116.42 121.58 3gzi h ASP 155 Ca -0.50 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3gzi h ASP 155 Cb 1.33 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3gzi h ASP 155 CO 0.54 0.23 0.00 -0.90 -1.72 0.00 0.00 179.24 177.38 3gzi n ASP 156 N -4.58 3.52 -4.71 6.45 5.68 -1.26 -4.95 116.55 116.70 3gzi n ASP 156 Ca 0.20 -1.99 -0.42 0.00 -0.50 0.00 0.00 54.79 52.08 3gzi n ASP 156 Cb 0.62 -0.34 -0.03 0.00 -1.14 0.00 0.00 41.12 40.23 3gzi n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3gzi s VAL 157 N -1.32 4.41 -0.20 2.12 1.01 -0.55 -5.03 120.40 120.85 3gzi s VAL 157 Ca 0.42 1.73 -0.15 0.00 0.00 0.00 0.00 61.98 63.98 3gzi s VAL 157 Cb 0.23 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3gzi s VAL 157 CO 0.32 0.12 0.36 -0.62 0.00 0.00 0.00 175.10 175.27 3gzi s ASP 158 N 1.08 6.40 0.19 3.32 2.15 -1.26 -4.96 116.67 123.60 3gzi s ASP 158 Ca 0.55 0.47 -0.12 0.00 0.43 0.00 0.00 52.55 53.89 3gzi s ASP 158 Cb -0.25 -2.21 0.15 0.00 -0.30 0.00 0.00 42.92 40.30 3gzi s ASP 158 CO 0.28 -0.04 1.84 0.00 -0.17 0.00 0.00 175.17 177.07 3gzi h ALA 159 N 7.30 0.81 -0.47 3.66 0.00 -1.96 0.25 119.26 128.86 3gzi h ALA 159 Ca -0.37 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.55 3gzi h ALA 159 Cb 1.16 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3gzi h ALA 159 CO 0.71 0.15 0.25 0.45 0.00 0.00 0.00 179.25 180.81 3gzi h HIS 160 N 0.77 0.45 -0.39 0.00 3.86 -1.95 0.61 115.15 118.51 3gzi h HIS 160 Ca 0.25 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.39 3gzi h HIS 160 Cb 0.00 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3gzi h HIS 160 CO -0.05 0.24 -0.10 0.00 0.86 0.00 0.00 177.93 178.87 3gzi h ALA 162 N 0.84 0.12 -0.92 0.00 0.00 -0.88 -1.62 119.26 116.81 3gzi h ALA 162 Ca 0.10 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3gzi h ALA 162 Cb 0.63 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3gzi h ALA 162 CO 0.04 -0.41 0.59 0.37 0.00 0.00 0.00 179.25 179.84 3gzi h GLN 163 N 0.10 1.10 -0.31 0.00 5.75 -0.75 -0.37 115.11 120.64 3gzi h GLN 163 Ca 0.04 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 3gzi h GLN 163 Cb 0.01 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 3gzi h GLN 163 CO -0.03 0.72 -0.13 1.25 -2.65 0.00 0.00 178.83 177.99 3gzi h LEU 164 N 1.13 0.65 -0.48 -2.39 5.85 -1.09 -0.35 115.31 118.63 3gzi h LEU 164 Ca 0.37 -0.40 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 3gzi h LEU 164 Cb 0.05 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3gzi h LEU 164 CO -0.13 0.90 -0.33 0.28 -0.34 0.00 0.00 178.44 178.82 3gzi h SER 165 N 0.39 0.94 0.10 1.25 0.02 -1.13 -0.86 113.55 114.26 3gzi h SER 165 Ca 0.07 -0.40 0.02 0.00 -0.84 0.00 0.00 61.79 60.64 3gzi h SER 165 Cb 0.65 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 3gzi h SER 165 CO 0.04 1.18 -0.26 0.15 -1.14 0.00 0.00 176.83 176.80 3gzi h PHE 166 N 0.74 -0.68 -0.73 3.45 3.57 -1.03 -2.93 116.94 119.34 3gzi h PHE 166 Ca 0.07 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.72 3gzi h PHE 166 Cb 0.90 0.29 -0.09 0.00 2.79 0.00 0.00 35.95 39.84 3gzi h PHE 166 CO 0.05 -0.36 0.30 0.35 -2.23 0.00 0.00 178.31 176.43 3gzi h PHE 167 N -0.45 0.51 0.00 0.41 3.57 -0.93 -3.42 116.94 116.64 3gzi h PHE 167 Ca 0.04 0.03 -0.46 0.00 3.53 0.00 0.00 57.97 61.11 3gzi h PHE 167 Cb 0.49 -0.12 0.09 0.00 2.79 0.00 0.00 35.95 39.20 3gzi h PHE 167 CO -0.24 0.09 1.52 0.00 -2.23 0.00 0.00 178.31 177.45 3gzi n ALA 168 N -2.49 1.52 0.00 2.41 0.00 -0.34 -4.22 120.51 117.39 3gzi n ALA 168 Ca 0.13 -2.16 0.00 0.00 0.00 0.00 0.00 53.44 51.42 3gzi n ALA 168 Cb 0.38 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.42 3gzi n ALA 168 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gzi n VAL 171 N 6.22 0.00 -0.33 0.00 0.31 -1.26 -4.36 118.33 118.90 3gzi n VAL 171 Ca 0.37 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.80 3gzi n VAL 171 Cb 0.31 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.54 3gzi n VAL 171 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3gzi h PHE 172 N 0.00 1.03 -0.82 3.52 3.57 -1.96 -1.37 116.94 120.91 3gzi h PHE 172 Ca 0.00 0.03 0.20 0.00 3.53 0.00 0.00 57.97 61.73 3gzi h PHE 172 Cb 0.00 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.37 3gzi h PHE 172 CO 0.00 0.35 0.56 -1.35 -2.23 0.00 0.00 178.31 175.64 3gzi h PRO 173 N 0.84 0.23 0.00 6.41 0.11 -1.96 -0.84 132.00 136.79 3gzi h PRO 173 Ca 0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3gzi h PRO 173 Cb 0.68 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3gzi h PRO 173 CO -0.28 0.15 -0.44 1.19 -0.21 0.00 0.00 178.00 178.41 3gzi n PHE 174 N -4.42 0.36 -0.07 0.65 3.72 -0.53 -3.93 117.46 113.24 3gzi n PHE 174 Ca 0.17 0.10 -0.14 0.00 -0.05 0.00 0.00 57.45 57.54 3gzi n PHE 174 Cb 0.73 -0.54 -0.14 0.00 -0.94 0.00 0.00 39.48 38.58 3gzi n PHE 174 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3gzi n ILE 175 N -1.86 1.53 -1.71 4.37 2.08 -0.42 -4.45 119.36 118.89 3gzi n ILE 175 Ca 0.05 -0.74 -0.42 0.00 0.56 0.00 0.00 62.75 62.20 3gzi n ILE 175 Cb 0.39 -1.05 -0.03 0.00 -0.75 0.00 0.00 39.64 38.21 3gzi n ILE 175 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3gzi s VAL 176 N -2.53 2.14 0.36 1.39 1.01 -0.62 -4.94 120.40 117.21 3gzi s VAL 176 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 3gzi s VAL 176 Cb 0.07 -3.00 -0.12 0.00 0.00 0.00 0.00 36.38 33.34 3gzi s VAL 176 CO 0.76 0.00 1.16 -2.65 0.00 0.00 0.00 175.10 174.37 3gzi n PRO 177 N 4.48 1.75 -0.12 2.72 -0.02 -1.26 -4.83 135.00 137.72 3gzi n PRO 177 Ca 0.17 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 3gzi n PRO 177 Cb 0.36 -2.17 0.49 0.00 -0.02 0.00 0.00 33.50 32.16 3gzi n PRO 177 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gzi h GLU 178 N 2.11 0.42 -0.77 -0.52 3.07 -1.96 -1.08 114.58 115.86 3gzi h GLU 178 Ca -0.45 -0.03 0.18 0.00 -0.50 0.00 0.00 59.36 58.56 3gzi h GLU 178 Cb 1.31 -0.10 -0.12 0.00 -0.84 0.00 0.00 28.75 29.00 3gzi h GLU 178 CO 0.60 0.28 0.14 -0.91 -1.40 0.00 0.00 179.01 177.72 3gzi h ASN 179 N 0.44 -0.09 0.42 1.42 2.35 -1.98 -0.93 115.58 117.21 3gzi h ASN 179 Ca 0.31 0.17 -0.27 0.00 -0.55 0.00 0.00 56.30 55.97 3gzi h ASN 179 Cb 0.63 0.25 0.01 0.00 0.05 0.00 0.00 38.32 39.26 3gzi h ASN 179 CO -0.09 -0.10 -1.15 -0.07 -1.65 0.00 0.00 177.43 174.36 3gzi h LEU 180 N 0.21 0.56 -0.41 1.61 3.38 -1.55 -2.54 115.31 116.57 3gzi h LEU 180 Ca 0.44 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3gzi h LEU 180 Cb 0.79 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3gzi h LEU 180 CO -0.58 1.37 0.24 -0.07 0.09 0.00 0.00 178.44 179.50 3gzi h LEU 181 N 0.17 0.40 -1.20 1.67 3.38 -1.40 -2.93 115.31 115.40 3gzi h LEU 181 Ca -0.13 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3gzi h LEU 181 Cb 1.84 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 3gzi h LEU 181 CO 0.20 0.28 0.55 -0.33 0.09 0.00 0.00 178.44 179.23 3gzi h GLU 182 N 0.49 1.04 -0.41 1.13 5.08 -1.11 0.12 114.58 120.93 3gzi h GLU 182 Ca 0.16 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3gzi h GLU 182 Cb 0.00 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 3gzi h GLU 182 CO -0.07 0.69 0.18 -0.09 -1.00 0.00 0.00 179.01 178.72 3gzi h ARG 183 N 1.07 0.57 -0.64 2.33 2.43 -1.27 -0.86 114.38 118.01 3gzi h ARG 183 Ca 0.31 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3gzi h ARG 183 Cb -0.05 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3gzi h ARG 183 CO -0.08 0.46 0.00 1.33 -1.51 0.00 0.00 179.97 180.17 3gzi n VAL 184 N -4.39 1.65 -1.52 0.20 0.24 -0.88 -4.96 118.33 108.66 3gzi n VAL 184 Ca 0.03 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 3gzi n VAL 184 Cb 0.13 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 3gzi n VAL 184 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gzi n GLY 185 N 0.96 0.42 3.31 7.63 0.00 -0.33 -5.05 105.19 112.13 3gzi n GLY 185 Ca 0.22 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 3gzi n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gzi s ILE 186 N -2.00 2.57 -0.08 -0.61 1.01 0.34 -4.98 121.20 117.46 3gzi s ILE 186 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.83 3gzi s ILE 186 Cb 0.00 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 3gzi s ILE 186 CO 0.00 0.54 -0.15 -0.70 0.00 0.00 0.00 174.94 174.64 3gzi s GLU 187 N 0.27 2.88 -1.55 2.79 2.12 -1.26 -3.12 118.70 120.83 3gzi s GLU 187 Ca -0.13 -0.71 -0.10 0.00 0.36 0.00 0.00 54.97 54.39 3gzi s GLU 187 Cb -0.16 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 3gzi s GLU 187 CO 0.07 0.43 2.74 1.28 -0.54 0.00 0.00 175.26 179.24 3gzi n LEU 188 N 2.88 8.33 -4.76 2.70 4.77 -1.26 -4.75 117.00 124.91 3gzi n LEU 188 Ca -0.18 -4.43 -0.30 0.00 -0.03 0.00 0.00 56.01 51.07 3gzi n LEU 188 Cb 0.52 -1.54 0.10 0.00 -2.33 0.00 0.00 43.42 40.18 3gzi n LEU 188 CO 0.28 1.92 0.69 0.42 -1.33 0.00 0.00 177.39 179.36 3gzi s THR 189 N 1.75 3.13 0.29 -5.08 -4.23 -1.26 -4.79 115.64 105.44 3gzi s THR 189 Ca 0.63 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 61.54 3gzi s THR 189 Cb 0.17 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.39 3gzi s THR 189 CO -0.07 -0.48 1.78 -0.65 -0.54 0.00 0.00 174.62 174.66 3gzi h PRO 190 N -1.24 0.73 -0.55 3.99 0.11 -1.95 0.23 132.00 133.33 3gzi h PRO 190 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3gzi h PRO 190 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3gzi h PRO 190 CO 0.54 0.48 0.20 -0.44 -0.21 0.00 0.00 178.00 178.57 3gzi h ASP 191 N 0.75 0.77 -0.32 -2.05 5.19 -1.96 -0.46 116.42 118.34 3gzi h ASP 191 Ca 0.53 -0.18 -0.13 0.00 -0.62 0.00 0.00 57.03 56.63 3gzi h ASP 191 Cb 0.76 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 3gzi h ASP 191 CO -0.36 0.75 -0.28 0.15 -3.12 0.00 0.00 179.24 176.38 3gzi h PHE 192 N 0.76 0.97 -0.15 4.55 3.57 -1.75 -1.75 116.94 123.13 3gzi h PHE 192 Ca 0.18 -0.25 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 3gzi h PHE 192 Cb 0.23 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3gzi h PHE 192 CO 0.01 1.01 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.72 3gzi h LEU 193 N 0.71 0.30 -0.40 0.59 3.38 -0.70 0.21 115.31 119.40 3gzi h LEU 193 Ca 0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3gzi h LEU 193 Cb 0.83 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3gzi h LEU 193 CO 0.07 0.61 0.14 -0.61 0.09 0.00 0.00 178.44 178.73 3gzi h GLN 194 N 0.26 0.62 -0.11 1.13 4.15 -0.97 0.22 115.11 120.39 3gzi h GLN 194 Ca 0.03 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3gzi h GLN 194 Cb 0.69 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3gzi h GLN 194 CO 0.05 0.60 0.07 1.25 -1.93 0.00 0.00 178.83 178.87 3gzi h LEU 195 N 0.50 0.13 -1.08 -2.39 5.85 -0.95 -2.47 115.31 114.91 3gzi h LEU 195 Ca 0.13 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3gzi h LEU 195 Cb 0.24 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3gzi h LEU 195 CO -0.01 0.13 0.52 0.25 -0.34 0.00 0.00 178.44 178.99 3gzi h LEU 196 N 0.13 1.02 -0.23 2.25 5.85 -0.48 0.83 115.31 124.66 3gzi h LEU 196 Ca 0.04 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3gzi h LEU 196 Cb 0.02 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3gzi h LEU 196 CO -0.01 0.77 0.12 0.00 -0.34 0.00 0.00 178.44 178.99 3gzi h ALA 197 N 1.40 0.28 -0.03 1.25 0.00 -0.46 -1.01 119.26 120.68 3gzi h ALA 197 Ca 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3gzi h ALA 197 Cb -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gzi h ALA 197 CO -0.06 -0.28 0.02 0.93 0.00 0.00 0.00 179.25 179.86 3gzi h GLU 198 N 0.26 0.04 -0.71 0.00 5.08 -0.93 -0.51 114.58 117.80 3gzi h GLU 198 Ca 0.09 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3gzi h GLU 198 Cb 0.01 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 3gzi h GLU 198 CO -0.05 0.09 0.45 1.96 -1.00 0.00 0.00 179.01 180.45 3gzi h GLN 199 N -0.02 0.85 0.02 2.33 1.08 -0.77 -2.07 115.11 116.52 3gzi h GLN 199 Ca 0.01 -0.05 -0.20 0.00 -1.45 0.00 0.00 58.65 56.96 3gzi h GLN 199 Cb 0.06 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 3gzi h GLN 199 CO -0.00 0.56 -0.93 -0.91 -0.95 0.00 0.00 178.83 176.60 3gzi h ASN 200 N 0.87 0.16 -0.44 1.46 2.35 -1.13 -0.52 115.58 118.34 3gzi h ASN 200 Ca 0.29 -0.14 0.08 0.00 -0.55 0.00 0.00 56.30 55.97 3gzi h ASN 200 Cb 0.03 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.28 3gzi h ASN 200 CO -0.11 1.00 0.05 0.74 -1.65 0.00 0.00 177.43 177.45 3gzi h THR 201 N 0.06 0.71 -0.22 2.81 2.02 -0.84 -0.79 112.91 116.66 3gzi h THR 201 Ca -0.04 -0.06 -0.17 0.00 0.77 0.00 0.00 66.41 66.91 3gzi h THR 201 Cb 1.59 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3gzi h THR 201 CO 0.13 0.03 -0.55 0.03 0.37 0.00 0.00 175.52 175.53 3gzi h ARG 202 N 0.17 0.67 -0.47 6.66 3.08 -1.09 -1.95 114.38 121.45 3gzi h ARG 202 Ca 0.22 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.86 3gzi h ARG 202 Cb 0.30 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3gzi h ARG 202 CO -0.32 1.05 0.28 1.25 -1.07 0.00 0.00 179.97 181.16 3gzi h LEU 203 N 0.51 0.46 -0.46 3.04 5.85 -0.93 -0.78 115.31 123.00 3gzi h LEU 203 Ca 0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3gzi h LEU 203 Cb 1.12 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3gzi h LEU 203 CO 0.11 0.33 0.14 -0.07 -0.34 0.00 0.00 178.44 178.61 3gzi h LEU 204 N 0.57 0.67 0.36 2.25 3.38 -1.01 0.31 115.31 121.83 3gzi h LEU 204 Ca 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3gzi h LEU 204 Cb 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3gzi h LEU 204 CO -0.08 0.70 -0.17 1.56 0.09 0.00 0.00 178.44 180.53 3gzi h GLN 205 N 0.60 -0.47 -0.18 1.13 1.08 -1.19 -0.27 115.11 115.81 3gzi h GLN 205 Ca 0.15 0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.29 3gzi h GLN 205 Cb 0.27 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 3gzi h GLN 205 CO -0.00 -0.15 -0.29 0.00 -0.95 0.00 0.00 178.83 177.43 3gzi h ARG 206 N -0.84 0.34 -0.17 1.46 3.08 -1.23 -3.20 114.38 113.81 3gzi h ARG 206 Ca -0.05 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.72 3gzi h ARG 206 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3gzi h ARG 206 CO 0.08 0.60 -0.48 0.78 -1.07 0.00 0.00 179.97 179.88 3gzi h GLY 207 N 1.05 0.70 -0.76 0.04 0.00 -0.37 -3.50 103.07 100.21 3gzi h GLY 207 Ca 0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 3gzi h GLY 207 CO 0.05 0.79 -0.35 1.04 0.00 0.00 0.00 176.54 178.07 3gzi n LEU 208 N -4.19 2.25 0.00 3.11 4.77 -0.12 -4.95 117.00 117.88 3gzi n LEU 208 Ca -0.07 -3.24 0.00 0.00 -0.03 0.00 0.00 56.01 52.67 3gzi n LEU 208 Cb 0.59 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3gzi n LEU 208 CO 0.47 0.99 0.00 0.47 -1.33 0.00 0.00 177.39 177.99