#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgz n LEU 12 N 0.00 -0.17 0.23 -2.12 4.77 -1.26 -0.60 117.00 117.86 1jgz n LEU 12 Ca 0.00 1.39 -0.15 0.00 -0.03 0.00 0.00 56.01 57.21 1jgz n LEU 12 Cb 0.00 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 1jgz n LEU 12 CO 0.00 -1.38 0.70 0.00 -1.33 0.00 0.00 177.39 175.38 1jgz h ALA 13 N 1.62 -0.61 -0.90 -1.18 0.00 -2.06 1.42 119.26 117.56 1jgz h ALA 13 Ca 0.46 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.34 1jgz h ALA 13 Cb 0.86 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1jgz h ALA 13 CO -0.79 -0.86 0.55 1.03 0.00 0.00 0.00 179.25 179.18 1jgz h SER 14 N -0.62 0.83 -0.08 0.00 0.87 -1.31 -2.01 113.55 111.23 1jgz h SER 14 Ca -0.04 0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1jgz h SER 14 Cb 0.52 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1jgz h SER 14 CO 0.03 0.49 -0.55 0.25 -0.53 0.00 0.00 176.83 176.52 1jgz h LEU 15 N 0.94 0.75 -1.43 2.23 5.85 -0.41 -3.19 115.31 120.04 1jgz h LEU 15 Ca 0.42 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1jgz h LEU 15 Cb 0.31 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1jgz h LEU 15 CO -0.22 1.14 -0.25 0.00 -0.34 0.00 0.00 178.44 178.77 1jgz h ALA 16 N 0.87 1.53 -0.00 1.25 0.00 0.26 -2.95 119.26 120.22 1jgz h ALA 16 Ca 0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 1jgz h ALA 16 Cb 1.12 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1jgz h ALA 16 CO 0.11 0.35 -1.04 0.97 0.00 0.00 0.00 179.25 179.64 1jgz h ILE 17 N 0.04 1.28 -0.47 0.00 6.09 -1.40 -2.35 117.51 120.70 1jgz h ILE 17 Ca 0.01 -2.25 -0.12 0.00 -1.37 0.00 0.00 64.86 61.13 1jgz h ILE 17 Cb 0.47 2.38 -0.01 0.00 0.47 0.00 0.00 36.82 40.12 1jgz h ILE 17 CO 0.03 0.70 -0.16 1.88 -3.07 0.00 0.00 178.15 177.53 1jgz h TYR 18 N 0.39 1.07 0.05 2.19 0.05 -1.57 -1.11 116.97 118.04 1jgz h TYR 18 Ca -0.13 -0.25 0.03 0.00 0.05 0.00 0.00 58.73 58.43 1jgz h TYR 18 Cb 1.69 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 39.13 1jgz h TYR 18 CO 0.10 1.04 -0.37 0.77 -1.05 0.00 0.00 178.16 178.66 1jgz h SER 19 N 0.79 -1.10 -0.23 3.88 0.02 -1.58 -0.93 113.55 114.40 1jgz h SER 19 Ca 0.11 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1jgz h SER 19 Cb 0.72 0.43 -0.07 0.00 0.14 0.00 0.00 62.40 63.62 1jgz h SER 19 CO 0.06 -0.43 -0.27 0.15 -1.14 0.00 0.00 176.83 175.19 1jgz h PHE 20 N -0.56 -0.74 -0.38 3.45 3.57 -1.02 0.53 116.94 121.79 1jgz h PHE 20 Ca 0.04 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1jgz h PHE 20 Cb 0.62 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 1jgz h PHE 20 CO -0.36 -0.35 0.11 -1.49 -2.23 0.00 0.00 178.31 173.99 1jgz h TRP 21 N -0.29 0.20 -0.90 0.41 4.06 -0.88 0.58 115.95 119.13 1jgz h TRP 21 Ca 0.13 0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.19 1jgz h TRP 21 Cb 0.50 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.55 1jgz h TRP 21 CO -0.42 0.07 0.55 0.82 -3.56 0.00 0.00 178.44 175.90 1jgz h ILE 22 N 0.26 0.98 0.41 1.49 2.04 -0.57 0.11 117.51 122.23 1jgz h ILE 22 Ca 0.18 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1jgz h ILE 22 Cb 0.17 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1jgz h ILE 22 CO -0.20 0.17 -0.20 0.15 0.00 0.00 0.00 178.15 178.08 1jgz h PHE 23 N 0.95 -0.51 -0.94 1.37 3.57 0.35 -2.55 116.94 119.19 1jgz h PHE 23 Ca 0.42 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.16 1jgz h PHE 23 Cb 0.30 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1jgz h PHE 23 CO -0.03 -0.23 0.66 1.25 -2.23 0.00 0.00 178.31 177.74 1jgz h LEU 24 N -0.73 0.12 -0.11 0.59 5.85 0.11 0.24 115.31 121.37 1jgz h LEU 24 Ca -0.06 0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.47 1jgz h LEU 24 Cb 0.51 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.55 1jgz h LEU 24 CO 0.09 0.04 -0.76 0.00 -0.34 0.00 0.00 178.44 177.47 1jgz h ALA 25 N 1.55 0.25 -0.66 1.25 0.00 -0.60 -2.03 119.26 119.02 1jgz h ALA 25 Ca 0.47 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1jgz h ALA 25 Cb 1.65 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 1jgz h ALA 25 CO -0.07 0.61 0.19 0.78 0.00 0.00 0.00 179.25 180.76 1jgz h GLY 26 N 0.41 1.11 0.79 0.00 0.00 -0.20 -1.61 103.07 103.57 1jgz h GLY 26 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 47.33 46.62 1jgz h GLY 26 CO 0.16 0.62 0.04 -2.00 0.00 0.00 0.00 176.54 175.36 1jgz h LEU 27 N 0.96 0.02 -0.76 3.11 5.85 -1.01 -0.51 115.31 122.97 1jgz h LEU 27 Ca 0.21 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1jgz h LEU 27 Cb 0.32 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1jgz h LEU 27 CO -0.00 0.04 0.46 0.40 -0.34 0.00 0.00 178.44 179.00 1jgz h ILE 28 N 0.12 1.21 0.11 4.05 2.04 -1.15 -0.38 117.51 123.51 1jgz h ILE 28 Ca 0.09 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1jgz h ILE 28 Cb 0.08 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1jgz h ILE 28 CO -0.11 0.22 -0.24 0.22 0.00 0.00 0.00 178.15 178.23 1jgz h TYR 29 N 1.03 -0.69 -0.77 1.37 3.20 -0.66 0.59 116.97 121.04 1jgz h TYR 29 Ca 0.27 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.28 1jgz h TYR 29 Cb -0.05 0.29 -0.13 0.00 1.54 0.00 0.00 36.73 38.38 1jgz h TYR 29 CO -0.01 -0.29 -0.37 -0.92 -1.64 0.00 0.00 178.16 174.93 1jgz h TYR 30 N -0.38 -1.03 -0.41 -3.82 3.20 -0.95 -1.75 116.97 111.83 1jgz h TYR 30 Ca -0.01 0.09 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1jgz h TYR 30 Cb 0.37 0.56 -0.07 0.00 1.54 0.00 0.00 36.73 39.13 1jgz h TYR 30 CO -0.30 -0.39 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.74 1jgz h LEU 31 N -0.10 -0.20 -0.48 2.82 3.38 -0.61 -2.00 115.31 118.12 1jgz h LEU 31 Ca 0.28 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 1jgz h LEU 31 Cb 0.57 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1jgz h LEU 31 CO -0.81 -0.06 0.21 -0.61 0.09 0.00 0.00 178.44 177.26 1jgz h GLN 32 N 0.09 0.71 -0.65 1.13 5.75 -0.02 -2.80 115.11 119.33 1jgz h GLN 32 Ca 0.20 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1jgz h GLN 32 Cb 0.29 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 1jgz h GLN 32 CO -0.35 0.62 0.32 1.79 -2.65 0.00 0.00 178.83 178.56 1jgz h THR 33 N 0.64 1.22 -0.32 2.39 1.35 -1.27 -2.31 112.91 114.61 1jgz h THR 33 Ca 0.16 -0.62 0.07 0.00 -0.55 0.00 0.00 66.41 65.48 1jgz h THR 33 Cb 0.16 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 1jgz h THR 33 CO -0.02 0.26 0.22 -0.33 -0.25 0.00 0.00 175.52 175.40 1jgz h GLU 34 N 0.90 0.09 -0.11 4.72 4.39 -1.17 0.12 114.58 123.53 1jgz h GLU 34 Ca 0.22 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1jgz h GLU 34 Cb 0.11 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1jgz h GLU 34 CO -0.03 0.06 0.00 0.09 -1.16 0.00 0.00 179.01 177.97 1jgz n ASN 35 N -4.46 0.88 -1.26 1.42 3.02 -0.88 -3.18 115.26 110.81 1jgz n ASN 35 Ca 0.04 -1.67 0.11 0.00 -0.03 0.00 0.00 54.58 53.04 1jgz n ASN 35 Cb 0.33 -0.07 0.28 0.00 -0.61 0.00 0.00 39.78 39.71 1jgz n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1jgz n MET 36 N -0.16 2.66 0.00 3.52 2.81 0.43 -4.45 117.12 121.93 1jgz n MET 36 Ca 0.13 -2.53 0.06 0.00 -1.81 0.00 0.00 57.70 53.56 1jgz n MET 36 Cb 0.19 -1.54 0.31 0.00 -0.71 0.00 0.00 33.22 31.47 1jgz n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1jgz n ARG 37 N 1.54 0.11 -3.78 0.03 1.74 -1.19 -4.30 116.66 110.82 1jgz n ARG 37 Ca 0.22 0.21 -0.13 0.00 -0.77 0.00 0.00 57.85 57.39 1jgz n ARG 37 Cb 0.61 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.43 1jgz n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1jgz s GLU 38 N -2.75 0.29 0.00 5.56 2.02 -1.26 -4.11 118.70 118.44 1jgz s GLU 38 Ca 0.10 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.47 1jgz s GLU 38 Cb 0.09 0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1jgz s GLU 38 CO 0.21 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1jgz n GLY 39 N 3.12 3.16 3.92 -1.39 0.00 -1.26 -5.04 105.19 107.70 1jgz n GLY 39 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1jgz n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jgz s TYR 40 N -2.56 3.48 0.62 1.61 1.51 -1.26 -4.45 117.35 116.30 1jgz s TYR 40 Ca 0.00 0.43 -0.16 0.00 -1.01 0.00 0.00 57.07 56.33 1jgz s TYR 40 Cb 0.00 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 1jgz s TYR 40 CO 0.00 0.26 1.11 -2.14 -1.11 0.00 0.00 175.55 173.67 1jgz s PRO 41 N -3.63 2.99 1.03 -1.71 0.02 -1.26 -4.89 135.00 127.56 1jgz s PRO 41 Ca 0.40 1.44 -0.12 0.00 0.02 0.00 0.00 61.00 62.75 1jgz s PRO 41 Cb -0.11 -1.97 0.19 0.00 0.02 0.00 0.00 34.50 32.63 1jgz s PRO 41 CO 0.31 -1.11 0.95 1.28 -0.33 0.00 0.00 177.00 178.10 1jgz n LEU 42 N -2.08 0.83 -4.23 -5.54 4.77 -1.26 -4.92 117.00 104.57 1jgz n LEU 42 Ca 0.11 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1jgz n LEU 42 Cb 0.52 -1.34 -0.10 0.00 -2.33 0.00 0.00 43.42 40.17 1jgz n LEU 42 CO 0.46 -2.79 -0.28 -1.61 -1.33 0.00 0.00 177.39 171.84 1jgz s GLU 43 N -4.37 1.15 0.39 3.23 2.02 -1.26 -2.57 118.70 117.29 1jgz s GLU 43 Ca 0.66 -1.58 0.05 0.00 0.02 0.00 0.00 54.97 54.11 1jgz s GLU 43 Cb -0.23 -0.02 -0.00 0.00 0.10 0.00 0.00 34.13 33.98 1jgz s GLU 43 CO 0.62 -0.26 0.56 -0.80 0.02 0.00 0.00 175.26 175.41 1jgz s ASN 44 N -3.17 5.84 0.39 -0.19 0.01 0.75 -4.57 114.94 114.00 1jgz s ASN 44 Ca 0.30 -0.07 0.21 0.00 -0.71 0.00 0.00 52.86 52.60 1jgz s ASN 44 Cb 0.07 -1.22 1.17 0.00 0.41 0.00 0.00 41.25 41.67 1jgz s ASN 44 CO 0.07 -0.60 1.62 -0.33 -1.51 0.00 0.00 177.10 176.35 1jgz h GLU 45 N 0.66 0.00 -0.01 -0.60 5.08 -2.02 0.53 114.58 118.23 1jgz h GLU 45 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1jgz h GLU 45 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1jgz h GLU 45 CO 0.53 0.00 -0.38 -0.40 -1.00 0.00 0.00 179.01 177.76 1jgz n ASP 46 N -2.32 1.31 0.00 1.42 5.68 -1.26 -4.94 116.55 116.44 1jgz n ASP 46 Ca -0.01 -1.05 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1jgz n ASP 46 Cb 0.18 0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1jgz n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jgz n GLY 47 N 1.39 0.63 3.90 6.12 0.00 0.18 -5.07 105.19 112.33 1jgz n GLY 47 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1jgz n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgz s THR 48 N -2.23 5.19 -0.12 2.61 -4.23 -1.26 -4.79 115.64 110.81 1jgz s THR 48 Ca 0.00 0.04 -0.37 0.00 -1.18 0.00 0.00 61.69 60.18 1jgz s THR 48 Cb 0.00 -3.62 -0.15 0.00 1.34 0.00 0.00 72.50 70.07 1jgz s THR 48 CO 0.00 0.09 1.68 -2.65 -0.54 0.00 0.00 174.62 173.20 1jgz n PRO 49 N 0.24 1.49 -1.80 3.99 -0.02 -1.26 -0.17 135.00 137.47 1jgz n PRO 49 Ca -0.04 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 1jgz n PRO 49 Cb 0.52 -2.27 0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1jgz n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jgz s ALA 50 N 2.81 2.56 -0.04 3.55 0.00 -1.06 -4.74 121.76 124.84 1jgz s ALA 50 Ca 0.92 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 53.07 1jgz s ALA 50 Cb -0.92 -3.27 -0.19 0.00 0.00 0.00 0.00 23.12 18.74 1jgz s ALA 50 CO 0.56 -1.16 1.10 0.00 0.00 0.00 0.00 175.76 176.26 1jgz h ALA 51 N 0.01 -0.11 -2.26 0.00 0.00 -1.92 -3.43 119.26 111.55 1jgz h ALA 51 Ca -0.46 -0.26 -0.61 0.00 0.00 0.00 0.00 54.91 53.58 1jgz h ALA 51 Cb 1.23 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1jgz h ALA 51 CO 0.55 -0.28 0.31 1.21 0.00 0.00 0.00 179.25 181.05 1jgz s ASN 52 N -5.61 6.57 -0.08 0.00 2.47 -1.26 -4.94 114.94 112.09 1jgz s ASN 52 Ca -0.15 0.47 0.14 0.00 0.42 0.00 0.00 52.86 53.74 1jgz s ASN 52 Cb 0.01 -2.38 0.46 0.00 -1.45 0.00 0.00 41.25 37.89 1jgz s ASN 52 CO 0.60 -0.62 1.38 0.00 -3.72 0.00 0.00 177.10 174.75 1jgz n GLN 53 N 6.19 3.05 0.00 0.43 1.13 -1.26 -4.94 117.38 121.98 1jgz n GLN 53 Ca 0.02 -2.49 0.00 0.00 -1.94 0.00 0.00 57.00 52.59 1jgz n GLN 53 Cb 0.48 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.25 1jgz n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jgz n GLY 54 N 0.27 -1.36 0.22 1.08 0.00 -1.26 -4.55 105.19 99.59 1jgz n GLY 54 Ca 0.18 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.73 1jgz n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jgz h PRO 55 N 0.00 0.00 -6.07 1.61 0.13 -2.04 -3.45 132.00 122.18 1jgz h PRO 55 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1jgz h PRO 55 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1jgz h PRO 55 CO 0.00 0.00 0.19 -0.06 -0.23 0.00 0.00 178.00 177.90 1jgz s PHE 56 N -3.24 3.56 0.51 1.56 0.08 -1.26 -5.06 117.98 114.12 1jgz s PHE 56 Ca 0.07 1.31 -0.10 0.00 0.12 0.00 0.00 56.93 58.34 1jgz s PHE 56 Cb 0.06 -2.89 -0.05 0.00 -0.57 0.00 0.00 43.02 39.57 1jgz s PHE 56 CO 0.65 0.01 0.88 -1.25 -0.10 0.00 0.00 175.22 175.41 1jgz s PRO 57 N 1.09 3.66 0.56 0.24 0.04 -1.26 -5.03 135.00 134.30 1jgz s PRO 57 Ca 0.40 0.53 -0.18 0.00 0.04 0.00 0.00 61.00 61.78 1jgz s PRO 57 Cb -0.18 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 1jgz s PRO 57 CO 0.19 -0.29 1.09 -0.51 0.04 0.00 0.00 177.00 177.52 1jgz s LEU 58 N -4.59 3.66 0.57 -3.56 1.43 -1.26 -4.80 118.68 110.13 1jgz s LEU 58 Ca 0.52 2.02 -0.09 0.00 -1.03 0.00 0.00 54.13 55.55 1jgz s LEU 58 Cb -0.10 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 1jgz s LEU 58 CO 0.43 -1.18 0.94 -2.16 0.23 0.00 0.00 176.35 174.62 1jgz s PRO 59 N -3.56 3.56 0.28 1.29 0.04 -1.26 -5.01 135.00 130.34 1jgz s PRO 59 Ca 0.69 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1jgz s PRO 59 Cb -0.20 -2.19 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 1jgz s PRO 59 CO 0.30 -0.45 1.43 0.15 0.04 0.00 0.00 177.00 178.47 1jgz s LYS 60 N -5.02 4.25 0.93 4.56 1.02 -1.26 -4.63 119.74 119.59 1jgz s LYS 60 Ca 0.52 2.34 -0.11 0.00 0.02 0.00 0.00 55.97 58.74 1jgz s LYS 60 Cb -0.11 -3.08 0.10 0.00 -0.52 0.00 0.00 37.83 34.22 1jgz s LYS 60 CO 0.51 -0.40 0.81 -2.30 -0.92 0.00 0.00 175.35 173.04 1jgz n PRO 61 N 1.82 -0.38 -4.10 -1.68 -0.02 -1.26 -4.75 135.00 124.63 1jgz n PRO 61 Ca 0.05 -0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.36 1jgz n PRO 61 Cb 0.40 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.63 1jgz n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1jgz s LYS 62 N -4.17 0.63 -0.04 -0.52 -2.85 0.14 -4.92 119.74 108.02 1jgz s LYS 62 Ca 0.62 -1.00 0.07 0.00 -1.00 0.00 0.00 55.97 54.67 1jgz s LYS 62 Cb -0.22 -0.20 -0.02 0.00 -2.06 0.00 0.00 37.83 35.33 1jgz s LYS 62 CO 0.62 0.01 -0.25 0.99 0.10 0.00 0.00 175.35 176.82 1jgz s THR 63 N -2.39 2.11 -0.16 3.79 2.01 -1.26 -1.49 115.64 118.25 1jgz s THR 63 Ca -0.01 -1.07 -0.06 0.00 0.31 0.00 0.00 61.69 60.86 1jgz s THR 63 Cb -0.03 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1jgz s THR 63 CO -0.02 0.58 0.04 -0.36 -0.69 0.00 0.00 174.62 174.16 1jgz s PHE 64 N -0.42 3.22 -0.54 4.92 0.08 0.26 -4.93 117.98 120.56 1jgz s PHE 64 Ca 0.04 0.04 -0.19 0.00 0.12 0.00 0.00 56.93 56.95 1jgz s PHE 64 Cb -0.12 -2.02 0.08 0.00 -0.57 0.00 0.00 43.02 40.40 1jgz s PHE 64 CO 0.01 0.18 0.63 0.42 -0.10 0.00 0.00 175.22 176.36 1jgz s ILE 65 N 0.16 4.90 0.40 0.64 1.01 -1.26 -1.05 121.20 126.00 1jgz s ILE 65 Ca 0.03 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 1jgz s ILE 65 Cb -0.13 -4.36 -0.08 0.00 0.01 0.00 0.00 42.46 37.90 1jgz s ILE 65 CO 0.01 -0.91 1.19 -0.76 0.00 0.00 0.00 174.94 174.47 1jgz s LEU 66 N 2.53 4.19 1.07 2.97 1.43 -0.82 -5.01 118.68 125.04 1jgz s LEU 66 Ca 0.12 2.38 -0.16 0.00 -1.03 0.00 0.00 54.13 55.45 1jgz s LEU 66 Cb -0.22 -4.01 0.23 0.00 0.03 0.00 0.00 46.19 42.21 1jgz s LEU 66 CO 0.09 -0.71 1.13 -2.16 0.23 0.00 0.00 176.35 174.93 1jgz s PRO 67 N -2.30 -0.18 -1.32 1.29 0.04 -1.26 -3.88 135.00 127.38 1jgz s PRO 67 Ca 0.57 0.13 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 1jgz s PRO 67 Cb -0.32 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1jgz s PRO 67 CO 0.40 -3.06 0.11 0.72 0.04 0.00 0.00 177.00 175.21 1jgz n HIS 68 N -4.34 -1.41 -3.97 0.56 8.25 -1.26 -1.59 115.22 111.47 1jgz n HIS 68 Ca 0.10 0.10 -0.32 0.00 -0.26 0.00 0.00 57.72 57.34 1jgz n HIS 68 Cb 0.59 -3.27 -0.02 0.00 1.12 0.00 0.00 29.99 28.41 1jgz n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgz n GLY 69 N -0.97 -0.46 0.00 -1.41 0.00 -1.25 -4.76 105.19 96.34 1jgz n GLY 69 Ca -0.16 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1jgz n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgz n ARG 70 N -4.15 0.96 0.00 1.61 5.12 -0.62 -4.99 116.66 114.59 1jgz n ARG 70 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1jgz n ARG 70 Cb 0.50 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 1jgz n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jgz n GLY 71 N 0.66 0.52 3.27 -0.13 0.00 -1.26 -4.92 105.19 103.34 1jgz n GLY 71 Ca 0.10 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 1jgz n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgz s THR 72 N 0.00 0.00 -0.13 2.61 -4.23 -1.26 -1.95 115.64 110.68 1jgz s THR 72 Ca 0.00 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.46 1jgz s THR 72 Cb 0.00 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.38 1jgz s THR 72 CO 0.00 0.00 0.33 -0.22 -0.54 0.00 0.00 174.62 174.19 1jgz s LEU 73 N -3.26 0.49 -0.07 4.79 2.96 -0.22 -4.88 118.68 118.50 1jgz s LEU 73 Ca 0.39 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.98 1jgz s LEU 73 Cb 0.04 1.09 0.02 0.00 0.50 0.00 0.00 46.19 47.84 1jgz s LEU 73 CO 0.20 -0.14 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.12 1jgz s THR 74 N 0.68 0.85 0.04 3.68 2.01 -1.26 0.90 115.64 122.54 1jgz s THR 74 Ca -0.04 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.75 1jgz s THR 74 Cb -0.05 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1jgz s THR 74 CO -0.04 0.31 -0.14 0.68 -0.69 0.00 0.00 174.62 174.74 1jgz s VAL 75 N 1.19 1.09 0.71 3.82 -7.23 -0.56 -3.66 120.40 115.76 1jgz s VAL 75 Ca -0.06 -1.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.99 1jgz s VAL 75 Cb -0.14 -0.99 0.03 0.00 0.56 0.00 0.00 36.38 35.83 1jgz s VAL 75 CO -0.02 -0.01 1.09 -2.16 -0.31 0.00 0.00 175.10 173.70 1jgz s PRO 76 N -1.14 2.60 0.31 4.82 0.04 -1.26 0.24 135.00 140.61 1jgz s PRO 76 Ca 0.01 1.21 -0.00 0.00 0.04 0.00 0.00 61.00 62.26 1jgz s PRO 76 Cb -0.08 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1jgz s PRO 76 CO 0.01 -1.39 0.41 0.41 0.04 0.00 0.00 177.00 176.49 1jgz n GLY 77 N -1.08 2.34 3.62 0.56 0.00 -1.24 -4.82 105.19 104.57 1jgz n GLY 77 Ca 0.09 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 1jgz n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jgz n PRO 78 N -0.53 2.24 -3.13 1.61 -0.02 -1.26 -4.96 135.00 128.95 1jgz n PRO 78 Ca 0.02 0.71 -0.40 0.00 -2.02 0.00 0.00 63.50 61.81 1jgz n PRO 78 Cb 0.53 -3.08 -0.06 0.00 -0.02 0.00 0.00 33.50 30.86 1jgz n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jgz s GLU 79 N 5.57 4.18 -0.04 -0.52 0.41 -1.26 -5.04 118.70 122.00 1jgz s GLU 79 Ca 0.97 0.56 -0.02 0.00 -0.41 0.00 0.00 54.97 56.08 1jgz s GLU 79 Cb -0.42 -3.60 0.03 0.00 -1.78 0.00 0.00 34.13 28.36 1jgz s GLU 79 CO 0.39 -0.28 0.06 0.45 -0.49 0.00 0.00 175.26 175.40 1jgz s SER 80 N 1.28 0.91 0.50 -0.19 0.15 -1.26 -5.00 113.70 110.07 1jgz s SER 80 Ca 0.27 0.09 0.22 0.00 0.70 0.00 0.00 55.95 57.23 1jgz s SER 80 Cb -0.16 -0.10 1.29 0.00 -1.71 0.00 0.00 66.02 65.34 1jgz s SER 80 CO 0.10 -0.23 2.05 -0.33 1.20 0.00 0.00 173.24 176.03 1jgz h GLU 81 N 8.21 0.00 -6.42 5.44 4.39 -2.01 -3.46 114.58 120.72 1jgz h GLU 81 Ca -0.19 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.02 1jgz h GLU 81 Cb 1.12 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.70 1jgz h GLU 81 CO 0.22 0.14 -0.82 -0.25 -1.16 0.00 0.00 179.01 177.14 1jgz n ASP 82 N -3.91 -2.65 -3.61 1.42 8.00 -1.26 -4.60 116.55 109.95 1jgz n ASP 82 Ca -0.02 -0.90 -0.05 0.00 0.71 0.00 0.00 54.79 54.53 1jgz n ASP 82 Cb 0.24 -3.44 -0.04 0.00 -0.02 0.00 0.00 41.12 37.86 1jgz n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jgz s ARG 83 N -6.56 0.29 0.34 -1.24 1.70 -1.26 -4.96 118.95 107.26 1jgz s ARG 83 Ca 0.39 0.03 -0.26 0.00 -0.47 0.00 0.00 55.73 55.42 1jgz s ARG 83 Cb -0.21 0.14 -0.09 0.00 -0.57 0.00 0.00 34.95 34.22 1jgz s ARG 83 CO 0.87 -0.10 1.03 -1.25 -1.08 0.00 0.00 175.30 174.77 1jgz s PRO 84 N -1.32 4.43 -0.33 3.89 0.04 -1.26 -5.03 135.00 135.42 1jgz s PRO 84 Ca 0.05 1.55 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1jgz s PRO 84 Cb -0.01 -2.83 0.09 0.00 0.04 0.00 0.00 34.50 31.80 1jgz s PRO 84 CO -0.04 0.09 0.03 0.42 0.04 0.00 0.00 177.00 177.55 1jgz s ILE 85 N -1.48 2.35 -1.05 0.56 -1.09 -1.26 -5.03 121.20 114.20 1jgz s ILE 85 Ca 0.51 -2.19 -0.20 0.00 -2.23 0.00 0.00 60.65 56.55 1jgz s ILE 85 Cb -0.24 -2.66 -0.08 0.00 -1.58 0.00 0.00 42.46 37.90 1jgz s ILE 85 CO 0.31 -0.50 1.98 0.00 -1.23 0.00 0.00 174.94 175.50 1jgz n ALA 86 N 4.31 3.65 -2.26 9.38 0.00 -1.26 -4.87 120.51 129.46 1jgz n ALA 86 Ca 0.00 -3.46 -0.14 0.00 0.00 0.00 0.00 53.44 49.84 1jgz n ALA 86 Cb 0.42 -3.59 -0.10 0.00 0.00 0.00 0.00 19.45 16.18 1jgz n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jgz s LEU 87 N 3.25 2.25 -0.15 0.00 1.43 -1.26 -1.91 118.68 122.30 1jgz s LEU 87 Ca 0.56 -1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1jgz s LEU 87 Cb 0.11 -0.18 0.04 0.00 0.03 0.00 0.00 46.19 46.19 1jgz s LEU 87 CO 0.07 -0.49 0.43 0.00 0.23 0.00 0.00 176.35 176.58 1jgz s ALA 88 N -3.52 -1.06 0.90 4.21 0.00 0.14 -4.79 121.76 117.64 1jgz s ALA 88 Ca 0.23 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 1jgz s ALA 88 Cb 0.05 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.58 1jgz s ALA 88 CO 0.04 -0.21 0.50 0.54 0.00 0.00 0.00 175.76 176.63 1jgz n ARG 89 N 2.67 -0.16 0.00 0.00 1.74 -1.26 -1.36 116.66 118.29 1jgz n ARG 89 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1jgz n ARG 89 Cb 0.57 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1jgz n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1jgz n THR 90 N -3.37 0.00 -4.01 0.55 -2.24 -1.21 -4.69 114.28 99.30 1jgz n THR 90 Ca 0.08 -0.38 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1jgz n THR 90 Cb 0.53 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.69 1jgz n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jgz s ALA 91 N -0.69 0.27 -1.27 6.98 0.00 -1.26 -5.05 121.76 120.74 1jgz s ALA 91 Ca 0.00 -1.02 0.29 0.00 0.00 0.00 0.00 51.96 51.23 1jgz s ALA 91 Cb 0.00 0.46 1.34 0.00 0.00 0.00 0.00 23.12 24.92 1jgz s ALA 91 CO 0.00 -0.45 1.96 1.33 0.00 0.00 0.00 175.76 178.60 1jgz n VAL 92 N 0.00 0.00 -4.25 0.00 0.24 -1.26 -4.89 118.33 108.17 1jgz n VAL 92 Ca -0.13 -0.01 -0.28 0.00 -2.04 0.00 0.00 64.34 61.88 1jgz n VAL 92 Cb 0.62 -0.42 -0.04 0.00 -1.47 0.00 0.00 33.84 32.53 1jgz n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jgz s SER 93 N -2.74 4.41 0.67 -1.34 1.04 -1.26 -5.14 113.70 109.35 1jgz s SER 93 Ca 0.22 -1.37 -0.12 0.00 0.48 0.00 0.00 55.95 55.17 1jgz s SER 93 Cb 0.20 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1jgz s SER 93 CO 0.50 -0.92 1.05 -1.61 0.98 0.00 0.00 173.24 173.24 1jgz s GLU 94 N -4.07 3.09 0.00 4.02 8.01 -1.26 -4.35 118.70 124.13 1jgz s GLU 94 Ca 0.25 0.96 0.00 0.00 0.01 0.00 0.00 54.97 56.19 1jgz s GLU 94 Cb 0.00 -2.01 0.00 0.00 -4.31 0.00 0.00 34.13 27.81 1jgz s GLU 94 CO 0.15 -0.98 0.00 0.41 0.01 0.00 0.00 175.26 174.85 1jgz n GLY 95 N -1.95 0.50 3.73 -1.39 0.00 -1.26 -5.06 105.19 99.76 1jgz n GLY 95 Ca 0.07 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1jgz n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jgz s PHE 96 N -2.00 2.77 1.06 1.61 0.40 -1.26 -5.11 117.98 115.44 1jgz s PHE 96 Ca 0.00 -0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 1jgz s PHE 96 Cb 0.00 -1.51 0.21 0.00 0.51 0.00 0.00 43.02 42.23 1jgz s PHE 96 CO 0.00 0.42 1.01 -2.30 0.70 0.00 0.00 175.22 175.05 1jgz n PRO 97 N -1.11 -1.49 -3.85 0.24 -0.02 -1.26 -4.87 135.00 122.64 1jgz n PRO 97 Ca -0.04 -0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 60.75 1jgz n PRO 97 Cb 0.60 -2.23 -0.16 0.00 -0.02 0.00 0.00 33.50 31.69 1jgz n PRO 97 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1jgz s HIS 98 N -2.50 1.88 0.55 6.00 3.76 -1.26 -3.35 115.29 120.37 1jgz s HIS 98 Ca 0.67 -1.46 -0.19 0.00 -0.15 0.00 0.00 55.06 53.92 1jgz s HIS 98 Cb -0.24 -1.42 -0.05 0.00 1.11 0.00 0.00 32.58 31.97 1jgz s HIS 98 CO 0.62 -0.73 1.13 0.00 -0.85 0.00 0.00 174.74 174.91 1jgz s ALA 99 N 1.57 2.68 0.02 -1.40 0.00 -0.46 -4.58 121.76 119.59 1jgz s ALA 99 Ca -0.02 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1jgz s ALA 99 Cb -0.18 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1jgz s ALA 99 CO -0.08 -0.80 1.09 -2.14 0.00 0.00 0.00 175.76 173.82 1jgz s PRO 100 N -3.35 4.49 0.12 0.00 0.02 -1.26 -0.69 135.00 134.33 1jgz s PRO 100 Ca 0.72 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1jgz s PRO 100 Cb -0.24 -3.41 -0.17 0.00 0.02 0.00 0.00 34.50 30.70 1jgz s PRO 100 CO 0.28 -0.17 1.26 1.79 -0.33 0.00 0.00 177.00 179.82 1jgz h THR 101 N 4.68 1.55 0.00 0.99 1.35 -1.69 -3.47 112.91 116.31 1jgz h THR 101 Ca -0.41 -2.98 0.00 0.00 -0.55 0.00 0.00 66.41 62.48 1jgz h THR 101 Cb 1.21 2.74 0.00 0.00 -1.73 0.00 0.00 68.15 70.38 1jgz h THR 101 CO 0.79 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 177.53 1jgz n GLY 102 N 1.25 3.00 3.50 5.82 0.00 -1.26 -5.06 105.19 112.44 1jgz n GLY 102 Ca -0.05 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1jgz n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jgz s ASP 103 N 0.40 6.24 0.21 1.61 -1.08 -1.26 -4.95 116.67 117.84 1jgz s ASP 103 Ca 0.00 -0.55 -0.11 0.00 -0.52 0.00 0.00 52.55 51.36 1jgz s ASP 103 Cb 0.00 -2.26 0.27 0.00 -1.46 0.00 0.00 42.92 39.47 1jgz s ASP 103 CO 0.00 -0.65 1.67 1.55 0.52 0.00 0.00 175.17 178.25 1jgz h PRO 104 N 8.78 0.11 -0.02 4.34 0.13 -1.93 1.22 132.00 144.63 1jgz h PRO 104 Ca -0.26 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1jgz h PRO 104 Cb 1.11 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1jgz h PRO 104 CO 0.83 0.07 -0.12 0.52 -0.23 0.00 0.00 178.00 179.08 1jgz h MET 105 N 0.11 -0.18 -0.19 0.86 2.86 -1.92 0.18 114.93 116.65 1jgz h MET 105 Ca 0.31 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.92 1jgz h MET 105 Cb 0.49 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1jgz h MET 105 CO -0.51 -0.12 -0.04 0.87 1.06 0.00 0.00 176.91 178.17 1jgz h LYS 106 N -0.19 0.35 0.00 1.72 6.56 -1.66 -3.08 116.57 120.27 1jgz h LYS 106 Ca 0.05 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1jgz h LYS 106 Cb 0.25 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1jgz h LYS 106 CO -0.13 0.61 0.00 -0.25 -2.06 0.00 0.00 179.45 177.61 1jgz n ASP 107 N -4.66 0.35 -3.30 0.86 8.00 0.41 -4.93 116.55 113.29 1jgz n ASP 107 Ca -0.05 0.57 -0.16 0.00 0.71 0.00 0.00 54.79 55.86 1jgz n ASP 107 Cb 0.26 -0.65 0.07 0.00 -0.02 0.00 0.00 41.12 40.79 1jgz n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jgz n GLY 108 N 0.38 -1.02 3.34 0.44 0.00 0.60 -4.80 105.19 104.13 1jgz n GLY 108 Ca 0.04 0.50 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 1jgz n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jgz s VAL 109 N -3.39 1.60 0.00 1.61 -7.23 -1.06 -3.85 120.40 108.08 1jgz s VAL 109 Ca 0.38 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1jgz s VAL 109 Cb -0.05 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.79 1jgz s VAL 109 CO 0.74 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 1jgz n GLY 110 N -0.39 1.11 0.04 2.32 0.00 -1.26 -2.14 105.19 104.87 1jgz n GLY 110 Ca -0.08 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.31 1jgz n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jgz n PRO 111 N 2.96 0.03 0.00 1.61 -0.04 -1.26 0.49 135.00 138.78 1jgz n PRO 111 Ca 0.00 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 1jgz n PRO 111 Cb 0.00 -1.70 0.25 0.00 -0.04 0.00 0.00 33.50 32.01 1jgz n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jgz n ALA 112 N -1.45 2.50 -0.77 0.55 0.00 -0.91 -2.87 120.51 117.56 1jgz n ALA 112 Ca -0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.51 1jgz n ALA 112 Cb 0.13 -0.94 0.13 0.00 0.00 0.00 0.00 19.45 18.77 1jgz n ALA 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jgz n SER 113 N 0.92 -2.36 -3.54 0.00 7.64 0.18 -3.92 113.62 112.53 1jgz n SER 113 Ca 0.16 0.17 -0.18 0.00 1.01 0.00 0.00 58.87 60.04 1jgz n SER 113 Cb 0.51 -1.10 -0.06 0.00 -1.01 0.00 0.00 64.21 62.55 1jgz n SER 113 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1jgz s TRP 114 N -2.32 -0.61 -0.03 1.43 1.48 -1.26 -4.22 118.94 113.41 1jgz s TRP 114 Ca 0.56 1.05 -0.06 0.00 -1.06 0.00 0.00 56.10 56.58 1jgz s TRP 114 Cb -0.18 0.38 -0.04 0.00 -1.16 0.00 0.00 33.47 32.47 1jgz s TRP 114 CO 0.68 -0.59 0.22 0.08 -4.06 0.00 0.00 176.95 173.28 1jgz s VAL 115 N -1.19 5.37 -1.40 -0.66 1.01 -1.26 -5.00 120.40 117.26 1jgz s VAL 115 Ca -0.11 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1jgz s VAL 115 Cb -0.01 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1jgz s VAL 115 CO 0.09 0.42 2.35 0.00 0.00 0.00 0.00 175.10 177.97 1jgz n ALA 116 N 1.30 5.72 -1.77 5.51 0.00 -1.26 -4.84 120.51 125.18 1jgz n ALA 116 Ca -0.13 -3.67 -0.29 0.00 0.00 0.00 0.00 53.44 49.35 1jgz n ALA 116 Cb 0.53 -3.49 0.10 0.00 0.00 0.00 0.00 19.45 16.59 1jgz n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jgz s ARG 117 N 3.17 1.80 0.56 0.00 0.52 -1.26 -4.98 118.95 118.77 1jgz s ARG 117 Ca 0.53 0.23 -0.18 0.00 -0.52 0.00 0.00 55.73 55.78 1jgz s ARG 117 Cb 0.15 -1.92 -0.08 0.00 0.52 0.00 0.00 34.95 33.61 1jgz s ARG 117 CO -0.06 -1.73 0.59 0.54 0.02 0.00 0.00 175.30 174.67 1jgz n ARG 118 N -3.43 0.58 -1.48 3.54 1.74 -1.26 -4.16 116.66 112.19 1jgz n ARG 118 Ca 0.07 0.23 -0.35 0.00 -0.77 0.00 0.00 57.85 57.03 1jgz n ARG 118 Cb 0.60 -1.76 0.07 0.00 -1.02 0.00 0.00 32.46 30.35 1jgz n ARG 118 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1jgz n ASP 119 N 0.37 7.55 -4.47 0.55 2.03 -1.26 -1.79 116.55 119.54 1jgz n ASP 119 Ca 0.12 -3.80 -0.24 0.00 0.52 0.00 0.00 54.79 51.40 1jgz n ASP 119 Cb 0.47 -0.97 -0.10 0.00 -0.72 0.00 0.00 41.12 39.80 1jgz n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jgz s LEU 120 N -3.87 2.61 0.28 -2.67 1.43 -1.26 -4.86 118.68 110.34 1jgz s LEU 120 Ca 0.62 -1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1jgz s LEU 120 Cb 0.49 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.68 1jgz s LEU 120 CO -0.09 -0.08 0.55 -2.84 0.23 0.00 0.00 176.35 174.12 1jgz s PRO 121 N -3.57 3.64 0.30 1.29 0.02 -1.26 -0.88 135.00 134.55 1jgz s PRO 121 Ca 0.30 0.02 -0.28 0.00 0.02 0.00 0.00 61.00 61.05 1jgz s PRO 121 Cb -0.02 -2.65 -0.09 0.00 0.02 0.00 0.00 34.50 31.75 1jgz s PRO 121 CO 0.14 0.23 1.08 -2.00 -0.33 0.00 0.00 177.00 176.12 1jgz s GLU 122 N -3.47 4.55 -0.07 5.54 2.12 -1.26 -4.93 118.70 121.17 1jgz s GLU 122 Ca 0.44 1.72 0.02 0.00 0.36 0.00 0.00 54.97 57.51 1jgz s GLU 122 Cb -0.11 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 1jgz s GLU 122 CO 0.29 0.16 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.52 1jgz s LEU 123 N -1.69 2.75 1.20 2.70 1.43 -1.26 -1.23 118.68 122.58 1jgz s LEU 123 Ca 0.47 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 1jgz s LEU 123 Cb -0.29 -1.58 0.30 0.00 0.03 0.00 0.00 46.19 44.65 1jgz s LEU 123 CO 0.38 0.30 1.02 1.51 0.23 0.00 0.00 176.35 179.78 1jgz s ASP 124 N -0.43 0.71 0.00 2.29 1.47 0.21 -4.74 116.67 116.19 1jgz s ASP 124 Ca 0.05 1.39 0.00 0.00 1.18 0.00 0.00 52.55 55.17 1jgz s ASP 124 Cb -0.12 -2.14 0.00 0.00 -0.34 0.00 0.00 42.92 40.32 1jgz s ASP 124 CO 0.02 -4.35 0.88 0.61 0.68 0.00 0.00 175.17 173.01 1jgz n GLY 125 N 0.76 -0.39 0.00 2.12 0.00 -1.26 -0.99 105.19 105.44 1jgz n GLY 125 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1jgz n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jgz n HIS 126 N -1.38 0.00 0.00 1.61 8.25 -1.26 -4.97 115.22 117.47 1jgz n HIS 126 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1jgz n HIS 126 Cb 0.06 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1jgz n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgz n GLY 127 N 1.50 0.34 3.89 -1.41 0.00 -0.16 -5.08 105.19 104.27 1jgz n GLY 127 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1jgz n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jgz s HIS 128 N -2.00 3.58 0.21 1.61 3.76 -1.26 -4.76 115.29 116.43 1jgz s HIS 128 Ca 0.00 1.02 -0.32 0.00 -0.15 0.00 0.00 55.06 55.61 1jgz s HIS 128 Cb 0.00 -2.47 -0.12 0.00 1.11 0.00 0.00 32.58 31.09 1jgz s HIS 128 CO 0.00 -0.41 1.69 0.09 -0.85 0.00 0.00 174.74 175.26 1jgz n ASN 129 N -2.34 3.88 -0.12 1.40 4.13 -1.26 -0.62 115.26 120.33 1jgz n ASN 129 Ca 0.03 1.07 -0.07 0.00 1.68 0.00 0.00 54.58 57.29 1jgz n ASN 129 Cb 0.55 -1.56 0.09 0.00 -1.54 0.00 0.00 39.78 37.32 1jgz n ASN 129 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1jgz h LYS 130 N 6.42 0.86 -6.09 3.52 3.64 -1.49 -3.43 116.57 120.00 1jgz h LYS 130 Ca -0.44 -0.30 -0.69 0.00 -1.27 0.00 0.00 60.65 57.96 1jgz h LYS 130 Cb 1.21 -0.07 -0.29 0.00 -0.41 0.00 0.00 32.23 32.68 1jgz h LYS 130 CO 0.93 0.93 -0.85 0.42 -2.27 0.00 0.00 179.45 178.61 1jgz s ILE 131 N -4.81 2.40 -0.04 2.00 1.01 -1.26 -1.02 121.20 119.49 1jgz s ILE 131 Ca -0.10 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.49 1jgz s ILE 131 Cb 0.14 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.72 1jgz s ILE 131 CO 0.84 0.57 0.26 -0.54 0.00 0.00 0.00 174.94 176.07 1jgz s LYS 132 N -0.30 0.52 0.58 2.79 1.02 -0.74 -4.69 119.74 118.91 1jgz s LYS 132 Ca 0.01 -0.06 -0.20 0.00 0.02 0.00 0.00 55.97 55.74 1jgz s LYS 132 Cb -0.13 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 1jgz s LYS 132 CO 0.02 -0.12 1.21 -0.35 -0.92 0.00 0.00 175.35 175.19 1jgz n PRO 133 N 1.83 1.31 -0.22 -1.68 -0.04 -1.26 -1.23 135.00 133.70 1jgz n PRO 133 Ca -0.19 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 1jgz n PRO 133 Cb 0.56 -2.42 0.41 0.00 -0.04 0.00 0.00 33.50 32.01 1jgz n PRO 133 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1jgz h MET 134 N 0.96 0.62 -0.88 0.54 4.05 -0.91 -1.74 114.93 117.56 1jgz h MET 134 Ca -0.50 -0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.01 1jgz h MET 134 Cb 1.33 -0.14 -0.09 0.00 -0.80 0.00 0.00 31.60 31.91 1jgz h MET 134 CO 0.54 0.41 0.49 1.57 0.23 0.00 0.00 176.91 180.15 1jgz h LYS 135 N 0.63 0.73 0.00 0.39 2.10 -1.88 0.27 116.57 118.81 1jgz h LYS 135 Ca 0.39 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 1jgz h LYS 135 Cb 0.63 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1jgz h LYS 135 CO -0.15 0.48 0.00 0.00 -2.00 0.00 0.00 179.45 177.78 1jgz n ALA 136 N -2.39 2.34 -2.85 0.07 0.00 -0.67 -4.64 120.51 112.37 1jgz n ALA 136 Ca 0.17 -0.11 -0.44 0.00 0.00 0.00 0.00 53.44 53.06 1jgz n ALA 136 Cb 0.38 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 1jgz n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgz s ALA 137 N -2.89 3.40 -0.35 0.00 0.00 0.08 -5.00 121.76 117.00 1jgz s ALA 137 Ca 0.17 -1.87 -0.29 0.00 0.00 0.00 0.00 51.96 49.97 1jgz s ALA 137 Cb 0.19 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.94 1jgz s ALA 137 CO 0.50 -2.08 1.28 0.00 0.00 0.00 0.00 175.76 175.46 1jgz s ALA 138 N 2.60 3.28 0.00 0.00 0.00 -1.26 -3.07 121.76 123.30 1jgz s ALA 138 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1jgz s ALA 138 Cb -0.21 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1jgz s ALA 138 CO 0.10 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.33 1jgz n GLY 139 N 4.50 1.32 3.87 0.00 0.00 -1.26 -5.10 105.19 108.51 1jgz n GLY 139 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1jgz n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jgz s PHE 140 N -2.06 3.55 0.11 1.61 0.40 -1.18 -5.09 117.98 115.33 1jgz s PHE 140 Ca 0.00 0.86 -0.25 0.00 -0.60 0.00 0.00 56.93 56.94 1jgz s PHE 140 Cb 0.00 -2.22 0.08 0.00 0.51 0.00 0.00 43.02 41.39 1jgz s PHE 140 CO 0.00 0.44 0.71 -3.38 0.70 0.00 0.00 175.22 173.68 1jgz s HIS 141 N -1.52 -0.45 -0.53 0.36 -3.43 -1.26 -5.01 115.29 103.44 1jgz s HIS 141 Ca 0.38 0.25 -0.28 0.00 -0.80 0.00 0.00 55.06 54.61 1jgz s HIS 141 Cb -0.13 0.56 0.01 0.00 -1.43 0.00 0.00 32.58 31.59 1jgz s HIS 141 CO 0.20 -0.77 1.49 0.08 -2.00 0.00 0.00 174.74 173.74 1jgz s VAL 142 N -3.55 3.72 -2.29 -5.38 1.01 -1.26 -4.87 120.40 107.79 1jgz s VAL 142 Ca 0.03 0.63 0.21 0.00 0.00 0.00 0.00 61.98 62.84 1jgz s VAL 142 Cb -0.01 -4.30 0.45 0.00 0.00 0.00 0.00 36.38 32.51 1jgz s VAL 142 CO -0.10 -1.05 1.52 -1.54 0.00 0.00 0.00 175.10 173.93 1jgz n SER 143 N 9.91 1.83 0.00 3.32 3.41 -1.26 -4.94 113.62 125.88 1jgz n SER 143 Ca 0.14 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1jgz n SER 143 Cb 0.49 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1jgz n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgz n ALA 144 N 0.43 0.00 0.00 7.33 0.00 -1.26 -5.17 120.51 121.84 1jgz n ALA 144 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1jgz n ALA 144 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1jgz n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgz n GLY 145 N -0.17 0.49 3.70 0.00 0.00 -1.26 -4.92 105.19 103.03 1jgz n GLY 145 Ca 0.00 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1jgz n GLY 145 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jgz n LYS 146 N 0.66 2.60 -2.96 1.61 3.00 -1.26 -4.94 118.16 116.87 1jgz n LYS 146 Ca 0.00 0.94 -0.42 0.00 -0.00 0.00 0.00 58.31 58.83 1jgz n LYS 146 Cb 0.00 -2.77 -0.05 0.00 0.00 0.00 0.00 35.03 32.21 1jgz n LYS 146 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1jgz s ASN 147 N 1.23 6.60 0.22 3.14 3.84 -1.26 -4.96 114.94 123.76 1jgz s ASN 147 Ca 0.77 0.51 0.08 0.00 0.21 0.00 0.00 52.86 54.43 1jgz s ASN 147 Cb -0.56 -2.40 0.17 0.00 -0.55 0.00 0.00 41.25 37.91 1jgz s ASN 147 CO 0.34 -0.67 1.50 1.55 -2.79 0.00 0.00 177.10 177.04 1jgz h PRO 148 N 8.29 0.03 -6.07 0.43 0.13 -1.97 -3.44 132.00 129.41 1jgz h PRO 148 Ca -0.25 -0.03 -0.75 0.00 -0.87 0.00 0.00 66.00 64.11 1jgz h PRO 148 Cb 1.10 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1jgz h PRO 148 CO 0.89 0.76 1.06 -0.89 -0.23 0.00 0.00 178.00 179.59 1jgz n ILE 149 N -3.67 0.19 0.00 -3.56 5.41 -1.26 0.15 119.36 116.61 1jgz n ILE 149 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1jgz n ILE 149 Cb 0.72 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 1jgz n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jgz n GLY 150 N 5.26 2.33 3.77 7.39 0.00 -0.42 -4.98 105.19 118.54 1jgz n GLY 150 Ca 0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 1jgz n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jgz s LEU 151 N 0.00 4.21 0.05 0.99 1.43 0.40 -4.64 118.68 121.11 1jgz s LEU 151 Ca 0.00 2.33 -0.26 0.00 -1.03 0.00 0.00 54.13 55.17 1jgz s LEU 151 Cb 0.00 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.16 1jgz s LEU 151 CO 0.00 -0.64 0.82 -2.16 0.23 0.00 0.00 176.35 174.60 1jgz s PRO 152 N -2.26 4.54 0.01 1.29 0.04 -1.26 0.14 135.00 137.49 1jgz s PRO 152 Ca 0.56 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1jgz s PRO 152 Cb -0.30 -3.38 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 1jgz s PRO 152 CO 0.38 0.22 0.48 0.08 0.04 0.00 0.00 177.00 178.20 1jgz s VAL 153 N 0.12 4.95 0.27 -0.36 1.01 0.14 -2.65 120.40 123.88 1jgz s VAL 153 Ca 0.41 1.00 0.12 0.00 0.00 0.00 0.00 61.98 63.52 1jgz s VAL 153 Cb -0.21 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1jgz s VAL 153 CO 0.24 0.53 -0.20 -0.60 0.00 0.00 0.00 175.10 175.07 1jgz s ARG 154 N -0.79 1.67 0.35 2.72 3.52 -0.49 -1.07 118.95 124.85 1jgz s ARG 154 Ca 0.26 -1.73 0.02 0.00 -0.13 0.00 0.00 55.73 54.15 1jgz s ARG 154 Cb -0.17 -1.79 -0.01 0.00 -1.56 0.00 0.00 34.95 31.42 1jgz s ARG 154 CO 0.15 0.34 0.08 0.41 -0.81 0.00 0.00 175.30 175.47 1jgz n GLY 155 N -0.50 3.52 0.28 8.12 0.00 -0.98 -1.18 105.19 114.45 1jgz n GLY 155 Ca -0.06 -2.16 0.14 0.00 0.00 0.00 0.00 46.02 43.94 1jgz n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgz n ASP 157 N -5.15 0.85 -2.05 0.00 5.75 -1.26 -4.93 116.55 109.76 1jgz n ASP 157 Ca 0.21 -1.74 -0.17 0.00 -0.01 0.00 0.00 54.79 53.08 1jgz n ASP 157 Cb 0.70 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1jgz n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jgz n LEU 158 N -0.14 -1.94 -4.59 -2.12 4.77 0.40 -5.02 117.00 108.35 1jgz n LEU 158 Ca 0.11 -0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 1jgz n LEU 158 Cb 0.17 -2.48 -0.11 0.00 -2.33 0.00 0.00 43.42 38.68 1jgz n LEU 158 CO 0.08 -0.09 -0.32 -0.70 -1.33 0.00 0.00 177.39 175.04 1jgz s GLU 159 N -4.99 1.90 0.07 3.23 2.56 -1.26 -4.87 118.70 115.34 1jgz s GLU 159 Ca 0.06 -2.05 -0.27 0.00 0.00 0.00 0.00 54.97 52.71 1jgz s GLU 159 Cb -0.03 -1.62 -0.06 0.00 2.00 0.00 0.00 34.13 34.43 1jgz s GLU 159 CO 0.07 -0.00 0.83 0.42 -0.56 0.00 0.00 175.26 176.02 1jgz s ILE 160 N -2.71 4.66 -0.02 -3.70 -1.09 -1.26 -2.32 121.20 114.76 1jgz s ILE 160 Ca 0.34 1.78 0.04 0.00 -2.23 0.00 0.00 60.65 60.58 1jgz s ILE 160 Cb 0.08 -4.18 -0.06 0.00 -1.58 0.00 0.00 42.46 36.71 1jgz s ILE 160 CO 0.17 0.35 0.07 0.00 -1.23 0.00 0.00 174.94 174.30 1jgz n ALA 161 N 2.81 2.07 0.00 9.38 0.00 -0.23 -4.94 120.51 129.60 1jgz n ALA 161 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1jgz n ALA 161 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1jgz n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgz n GLY 162 N 2.42 -0.61 3.24 0.00 0.00 -1.20 -4.19 105.19 104.85 1jgz n GLY 162 Ca -0.03 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1jgz n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jgz s LYS 163 N -0.99 0.51 0.34 1.61 -2.85 -0.96 0.25 119.74 117.64 1jgz s LYS 163 Ca 0.00 0.24 -0.28 0.00 -1.00 0.00 0.00 55.97 54.93 1jgz s LYS 163 Cb 0.00 0.24 -0.10 0.00 -2.06 0.00 0.00 37.83 35.91 1jgz s LYS 163 CO 0.00 -0.10 1.27 0.08 0.10 0.00 0.00 175.35 176.70 1jgz s VAL 164 N -0.38 2.83 0.00 1.79 1.01 0.37 -1.32 120.40 124.70 1jgz s VAL 164 Ca -0.05 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1jgz s VAL 164 Cb -0.03 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1jgz s VAL 164 CO 0.02 0.18 0.29 1.33 0.00 0.00 0.00 175.10 176.92 1jgz n VAL 165 N 0.74 0.06 0.00 2.92 0.24 -0.19 -1.30 118.33 120.80 1jgz n VAL 165 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1jgz n VAL 165 Cb 0.43 1.45 0.00 0.00 -1.47 0.00 0.00 33.84 34.25 1jgz n VAL 165 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1jgz n ASP 166 N -0.03 0.00 -3.86 -1.34 2.03 -1.23 -4.90 116.55 107.22 1jgz n ASP 166 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 1jgz n ASP 166 Cb 0.17 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.40 1jgz n ASP 166 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jgz s ILE 167 N -2.00 0.94 0.04 5.18 1.01 -1.26 -2.04 121.20 123.07 1jgz s ILE 167 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 1jgz s ILE 167 Cb 0.00 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1jgz s ILE 167 CO 0.00 0.15 0.95 0.26 0.00 0.00 0.00 174.94 176.30 1jgz s TRP 168 N 1.71 3.72 0.19 3.97 0.52 -0.28 -0.18 118.94 128.59 1jgz s TRP 168 Ca 0.02 1.71 0.08 0.00 0.02 0.00 0.00 56.10 57.94 1jgz s TRP 168 Cb -0.15 -3.07 -0.04 0.00 -1.15 0.00 0.00 33.47 29.06 1jgz s TRP 168 CO -0.07 0.09 -0.17 0.14 0.02 0.00 0.00 176.95 176.95 1jgz s VAL 169 N 0.58 1.84 -0.50 4.03 -7.23 -0.37 -2.09 120.40 116.67 1jgz s VAL 169 Ca 0.49 -2.08 -0.21 0.00 -1.81 0.00 0.00 61.98 58.37 1jgz s VAL 169 Cb -0.22 -1.96 0.04 0.00 0.56 0.00 0.00 36.38 34.80 1jgz s VAL 169 CO 0.28 -0.44 0.72 -0.62 -0.31 0.00 0.00 175.10 174.74 1jgz s ASP 170 N -3.00 6.29 0.05 4.85 -1.08 0.54 -1.80 116.67 122.52 1jgz s ASP 170 Ca 0.20 -0.59 -0.35 0.00 -0.52 0.00 0.00 52.55 51.29 1jgz s ASP 170 Cb -0.04 -2.34 -0.20 0.00 -1.46 0.00 0.00 42.92 38.88 1jgz s ASP 170 CO 0.07 -0.96 1.51 0.40 0.52 0.00 0.00 175.17 176.72 1jgz h ILE 171 N 5.91 0.07 0.00 4.11 1.08 -1.39 0.75 117.51 128.04 1jgz h ILE 171 Ca -0.26 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1jgz h ILE 171 Cb 1.09 0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 1jgz h ILE 171 CO 0.98 0.00 -0.02 1.55 -0.69 0.00 0.00 178.15 179.98 1jgz h PRO 172 N -1.27 0.00 -0.13 2.37 0.13 -1.93 -2.28 132.00 128.90 1jgz h PRO 172 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1jgz h PRO 172 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1jgz h PRO 172 CO 0.20 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.38 1jgz n GLU 173 N -4.42 1.64 -3.80 0.86 1.02 -1.21 -5.01 120.64 109.72 1jgz n GLU 173 Ca -0.03 -1.68 -0.27 0.00 -0.02 0.00 0.00 57.16 55.17 1jgz n GLU 173 Cb 0.10 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1jgz n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1jgz n GLN 174 N 0.96 -1.33 -4.15 3.49 6.02 0.26 -4.97 117.38 117.66 1jgz n GLN 174 Ca 0.11 0.62 -0.15 0.00 -0.01 0.00 0.00 57.00 57.58 1jgz n GLN 174 Cb 0.44 -2.15 -0.13 0.00 1.02 0.00 0.00 30.24 29.42 1jgz n GLN 174 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1jgz s MET 175 N -5.20 0.51 -0.10 -1.09 -1.94 -0.93 -4.93 119.30 105.62 1jgz s MET 175 Ca 0.06 -0.42 -0.30 0.00 -1.71 0.00 0.00 55.69 53.32 1jgz s MET 175 Cb -0.03 -0.43 -0.01 0.00 2.01 0.00 0.00 34.83 36.37 1jgz s MET 175 CO 0.88 0.11 1.02 0.00 -0.01 0.00 0.00 175.02 177.01 1jgz s ALA 176 N -0.59 3.41 -0.05 3.03 0.00 -1.26 -0.34 121.76 125.96 1jgz s ALA 176 Ca -0.02 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1jgz s ALA 176 Cb -0.05 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1jgz s ALA 176 CO 0.00 -0.62 -0.02 0.54 0.00 0.00 0.00 175.76 175.66 1jgz n ARG 177 N 5.03 1.76 -4.09 0.00 1.74 -0.89 -4.82 116.66 115.39 1jgz n ARG 177 Ca 0.09 0.02 -0.08 0.00 -0.77 0.00 0.00 57.85 57.11 1jgz n ARG 177 Cb 0.48 -1.12 -0.10 0.00 -1.02 0.00 0.00 32.46 30.70 1jgz n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jgz s PHE 178 N -2.12 0.54 -0.21 -1.55 0.08 -1.13 -0.80 117.98 112.79 1jgz s PHE 178 Ca -0.05 -0.99 0.02 0.00 0.12 0.00 0.00 56.93 56.03 1jgz s PHE 178 Cb 0.02 -0.39 0.04 0.00 -0.57 0.00 0.00 43.02 42.12 1jgz s PHE 178 CO 0.16 -0.33 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.30 1jgz s LEU 179 N -2.77 2.64 -0.14 -0.37 1.43 -0.51 -1.13 118.68 117.83 1jgz s LEU 179 Ca 0.05 -0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 51.89 1jgz s LEU 179 Cb 0.06 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1jgz s LEU 179 CO -0.08 -0.10 1.18 -0.70 0.23 0.00 0.00 176.35 176.88 1jgz s GLU 180 N 1.24 4.29 -0.14 1.70 2.12 -0.86 -2.25 118.70 124.81 1jgz s GLU 180 Ca -0.01 1.58 0.01 0.00 0.36 0.00 0.00 54.97 56.91 1jgz s GLU 180 Cb -0.16 -3.66 -0.00 0.00 0.26 0.00 0.00 34.13 30.57 1jgz s GLU 180 CO -0.09 -0.58 -0.18 0.08 -0.54 0.00 0.00 175.26 173.95 1jgz s VAL 181 N 2.94 2.46 0.03 3.70 1.01 0.26 -1.02 120.40 129.78 1jgz s VAL 181 Ca 0.52 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 1jgz s VAL 181 Cb -0.21 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1jgz s VAL 181 CO 0.15 0.53 0.73 -0.70 0.00 0.00 0.00 175.10 175.81 1jgz s GLU 182 N 0.64 4.45 0.57 2.72 2.12 -0.43 -0.74 118.70 128.03 1jgz s GLU 182 Ca -0.10 0.99 0.08 0.00 0.36 0.00 0.00 54.97 56.30 1jgz s GLU 182 Cb -0.16 -3.36 0.08 0.00 0.26 0.00 0.00 34.13 30.95 1jgz s GLU 182 CO 0.02 0.30 0.78 -0.51 -0.54 0.00 0.00 175.26 175.32 1jgz s LEU 183 N -0.07 3.17 0.21 2.70 1.43 0.41 -2.27 118.68 124.26 1jgz s LEU 183 Ca 0.37 -0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1jgz s LEU 183 Cb -0.20 -1.84 0.28 0.00 0.03 0.00 0.00 46.19 44.46 1jgz s LEU 183 CO 0.22 -1.32 1.70 0.50 0.23 0.00 0.00 176.35 177.68 1jgz h LYS 184 N 0.16 0.23 -0.13 1.70 1.63 -1.86 -0.54 116.57 117.76 1jgz h LYS 184 Ca -0.32 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 1jgz h LYS 184 Cb 1.28 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1jgz h LYS 184 CO 0.41 0.15 0.00 -0.40 -3.45 0.00 0.00 179.45 176.17 1jgz n ASP 185 N -5.14 0.13 0.00 4.20 5.68 -1.26 -4.81 116.55 115.34 1jgz n ASP 185 Ca 0.09 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1jgz n ASP 185 Cb 0.32 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1jgz n ASP 185 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jgz n GLY 186 N 0.20 0.99 3.95 6.12 0.00 -0.21 -5.04 105.19 111.20 1jgz n GLY 186 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1jgz n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgz s SER 187 N -3.02 5.99 0.24 1.61 1.04 -1.25 -4.73 113.70 113.58 1jgz s SER 187 Ca 0.00 0.39 0.10 0.00 0.48 0.00 0.00 55.95 56.92 1jgz s SER 187 Cb 0.00 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.34 1jgz s SER 187 CO 0.00 -0.58 -0.10 0.42 0.98 0.00 0.00 173.24 173.95 1jgz s THR 188 N -2.51 3.01 0.22 2.02 -4.23 -1.26 0.16 115.64 113.04 1jgz s THR 188 Ca 0.46 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1jgz s THR 188 Cb -0.10 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 1jgz s THR 188 CO 0.38 -0.29 0.11 -0.13 -0.54 0.00 0.00 174.62 174.15 1jgz s ARG 189 N -3.33 1.27 -0.04 3.99 1.81 0.08 -4.87 118.95 117.86 1jgz s ARG 189 Ca 0.28 -1.67 0.05 0.00 -1.72 0.00 0.00 55.73 52.67 1jgz s ARG 189 Cb -0.07 0.07 -0.02 0.00 -0.45 0.00 0.00 34.95 34.48 1jgz s ARG 189 CO 0.16 -0.35 -0.18 -0.51 -0.68 0.00 0.00 175.30 173.75 1jgz s LEU 190 N -3.21 2.53 0.02 2.53 1.43 -1.26 -0.58 118.68 120.14 1jgz s LEU 190 Ca 0.38 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 1jgz s LEU 190 Cb 0.07 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 1jgz s LEU 190 CO 0.12 0.34 -0.24 -0.76 0.23 0.00 0.00 176.35 176.04 1jgz s LEU 191 N -0.72 2.12 0.20 1.79 1.43 -0.95 -4.93 118.68 117.60 1jgz s LEU 191 Ca 0.11 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 1jgz s LEU 191 Cb -0.10 -1.17 -0.08 0.00 0.03 0.00 0.00 46.19 44.86 1jgz s LEU 191 CO 0.00 0.25 1.26 -2.84 0.23 0.00 0.00 176.35 175.25 1jgz s PRO 192 N -0.93 4.43 0.14 1.29 0.02 -1.26 -1.42 135.00 137.27 1jgz s PRO 192 Ca 0.10 1.98 -0.21 0.00 0.02 0.00 0.00 61.00 62.88 1jgz s PRO 192 Cb -0.09 -3.21 0.02 0.00 0.02 0.00 0.00 34.50 31.23 1jgz s PRO 192 CO 0.01 -0.18 1.65 1.98 -0.33 0.00 0.00 177.00 180.13 1jgz h MET 193 N 5.27 -0.17 0.00 5.54 4.05 -1.28 -1.12 114.93 127.22 1jgz h MET 193 Ca -0.45 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 1jgz h MET 193 Cb 1.21 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 1jgz h MET 193 CO 0.76 -0.11 0.00 1.04 0.23 0.00 0.00 176.91 178.82 1jgz n GLN 194 N -5.33 0.00 0.00 0.39 3.00 -1.26 -2.04 117.38 112.14 1jgz n GLN 194 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1jgz n GLN 194 Cb 0.24 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.04 1jgz n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1jgz n MET 195 N -0.94 2.33 -4.51 -1.09 2.81 -0.43 -5.04 117.12 110.27 1jgz n MET 195 Ca 0.00 -1.31 -0.24 0.00 -1.81 0.00 0.00 57.70 54.33 1jgz n MET 195 Cb 0.00 -0.97 -0.14 0.00 -0.71 0.00 0.00 33.22 31.41 1jgz n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1jgz s VAL 196 N -0.82 1.61 -0.40 2.03 -7.23 -0.86 -4.57 120.40 110.15 1jgz s VAL 196 Ca 0.00 -1.27 -0.08 0.00 -1.81 0.00 0.00 61.98 58.82 1jgz s VAL 196 Cb 0.00 -1.42 0.07 0.00 0.56 0.00 0.00 36.38 35.59 1jgz s VAL 196 CO 0.00 0.10 0.23 -0.75 -0.31 0.00 0.00 175.10 174.37 1jgz s LYS 197 N -1.38 2.57 0.18 4.82 2.20 0.53 -4.93 119.74 123.74 1jgz s LYS 197 Ca 0.06 -1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 53.94 1jgz s LYS 197 Cb -0.09 -3.72 -0.08 0.00 -1.51 0.00 0.00 37.83 32.44 1jgz s LYS 197 CO 0.02 -0.91 1.05 0.08 -0.36 0.00 0.00 175.35 175.23 1jgz s VAL 198 N 1.40 3.99 0.06 4.02 1.01 -1.26 0.27 120.40 129.90 1jgz s VAL 198 Ca 0.03 1.76 -0.00 0.00 0.00 0.00 0.00 61.98 63.77 1jgz s VAL 198 Cb -0.22 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1jgz s VAL 198 CO 0.02 0.32 -0.04 -1.10 0.00 0.00 0.00 175.10 174.30 1jgz s GLN 199 N -0.49 0.67 0.30 2.72 -0.21 0.18 -4.94 119.66 117.89 1jgz s GLN 199 Ca 0.47 -1.24 0.09 0.00 0.02 0.00 0.00 55.36 54.70 1jgz s GLN 199 Cb -0.28 0.09 0.92 0.00 1.00 0.00 0.00 33.01 34.73 1jgz s GLN 199 CO 0.34 -0.08 1.42 -1.13 -2.12 0.00 0.00 175.29 173.72 1jgz n SER 200 N 0.10 0.07 0.00 5.90 3.41 -1.26 -2.20 113.62 119.65 1jgz n SER 200 Ca -0.14 1.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.99 1jgz n SER 200 Cb 0.61 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1jgz n SER 200 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1jgz n ASN 201 N -5.20 1.07 -3.52 4.04 0.23 -1.26 -5.05 115.26 105.57 1jgz n ASN 201 Ca 0.27 -1.10 -0.11 0.00 -0.53 0.00 0.00 54.58 53.10 1jgz n ASN 201 Cb 0.90 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.56 1jgz n ASN 201 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jgz s ARG 202 N -0.10 0.84 -0.18 -3.83 1.70 -0.93 -4.56 118.95 111.88 1jgz s ARG 202 Ca 0.00 -0.07 -0.08 0.00 -0.47 0.00 0.00 55.73 55.11 1jgz s ARG 202 Cb 0.00 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1jgz s ARG 202 CO 0.00 -0.32 0.10 0.08 -1.08 0.00 0.00 175.30 174.08 1jgz s VAL 203 N -2.16 5.12 -0.09 4.99 1.01 -1.08 -0.65 120.40 127.53 1jgz s VAL 203 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1jgz s VAL 203 Cb -0.01 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1jgz s VAL 203 CO -0.02 0.47 -0.04 -2.28 0.00 0.00 0.00 175.10 173.23 1jgz s HIS 204 N 0.21 3.03 -0.27 5.22 2.46 0.14 -1.40 115.29 124.69 1jgz s HIS 204 Ca 0.07 0.01 0.01 0.00 0.47 0.00 0.00 55.06 55.62 1jgz s HIS 204 Cb -0.12 -1.79 0.07 0.00 -0.13 0.00 0.00 32.58 30.61 1jgz s HIS 204 CO -0.01 0.29 -0.02 0.08 -2.47 0.00 0.00 174.74 172.62 1jgz s VAL 205 N -0.57 1.67 -0.10 0.89 1.01 -0.33 -0.34 120.40 122.64 1jgz s VAL 205 Ca 0.09 -1.51 -0.27 0.00 0.00 0.00 0.00 61.98 60.28 1jgz s VAL 205 Cb -0.12 -2.01 -0.24 0.00 0.00 0.00 0.00 36.38 34.01 1jgz s VAL 205 CO 0.02 -0.26 0.93 0.78 0.00 0.00 0.00 175.10 176.57 1jgz h ASN 206 N 7.88 0.05 -0.77 3.32 -0.26 -1.86 0.04 115.58 123.97 1jgz h ASN 206 Ca -0.15 -0.84 0.16 0.00 -0.56 0.00 0.00 56.30 54.91 1jgz h ASN 206 Cb 1.05 -0.01 -0.10 0.00 -1.06 0.00 0.00 38.32 38.19 1jgz h ASN 206 CO 0.45 0.88 0.29 0.00 -1.06 0.00 0.00 177.43 177.99 1jgz h ALA 207 N 0.16 1.09 -2.58 -0.83 0.00 -1.88 -3.35 119.26 111.88 1jgz h ALA 207 Ca -0.01 0.14 -0.57 0.00 0.00 0.00 0.00 54.91 54.46 1jgz h ALA 207 Cb 0.90 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1jgz h ALA 207 CO 0.01 -0.26 -0.63 -0.51 0.00 0.00 0.00 179.25 177.87 1jgz s LEU 208 N -10.49 3.40 0.07 0.00 1.43 -1.26 -3.19 118.68 108.65 1jgz s LEU 208 Ca -0.12 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1jgz s LEU 208 Cb 0.21 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1jgz s LEU 208 CO 0.76 0.04 -0.12 -0.94 0.23 0.00 0.00 176.35 176.33 1jgz s SER 209 N -3.29 4.24 0.03 2.29 1.04 -1.26 0.12 113.70 116.87 1jgz s SER 209 Ca 0.30 -0.38 -0.06 0.00 0.48 0.00 0.00 55.95 56.29 1jgz s SER 209 Cb -0.08 -0.79 -0.01 0.00 0.10 0.00 0.00 66.02 65.23 1jgz s SER 209 CO 0.20 0.21 0.39 -1.54 0.98 0.00 0.00 173.24 173.48 1jgz n SER 210 N 1.05 -0.19 0.04 7.02 3.41 -1.26 -0.17 113.62 123.52 1jgz n SER 210 Ca -0.15 0.43 0.21 0.00 -0.26 0.00 0.00 58.87 59.11 1jgz n SER 210 Cb 0.52 -0.10 0.74 0.00 -0.26 0.00 0.00 64.21 65.11 1jgz n SER 210 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1jgz h ASP 211 N 0.00 0.00 1.74 4.04 2.03 -1.96 0.19 116.42 122.46 1jgz h ASP 211 Ca 0.03 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.32 1jgz h ASP 211 Cb 0.07 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1jgz h ASP 211 CO -0.17 0.00 -0.27 -0.07 -1.03 0.00 0.00 179.24 177.70 1jgz h LEU 212 N 0.00 0.00 -0.55 0.15 3.38 -0.97 -3.36 115.31 113.96 1jgz h LEU 212 Ca 0.23 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.31 1jgz h LEU 212 Cb 1.09 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 1jgz h LEU 212 CO -0.00 0.04 0.03 -0.26 0.09 0.00 0.00 178.44 178.33 1jgz h PHE 213 N 0.00 0.01 -0.12 1.13 -1.00 -0.89 -0.23 116.94 115.85 1jgz h PHE 213 Ca -0.00 0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.85 1jgz h PHE 213 Cb 1.03 0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.66 1jgz h PHE 213 CO 0.00 -0.11 0.13 0.00 -1.61 0.00 0.00 178.31 176.72 1jgz h ALA 214 N 1.49 1.74 0.00 2.45 0.00 -1.73 -1.47 119.26 121.73 1jgz h ALA 214 Ca 0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1jgz h ALA 214 Cb 0.44 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jgz h ALA 214 CO -0.45 -0.19 -0.05 0.78 0.00 0.00 0.00 179.25 179.34 1jgz h GLY 215 N 0.00 0.00 -5.77 0.00 0.00 -1.26 -3.45 103.07 92.58 1jgz h GLY 215 Ca 0.06 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.71 1jgz h GLY 215 CO -0.00 0.00 0.81 1.39 0.00 0.00 0.00 176.54 178.74 1jgz n ILE 216 N -3.14 0.24 -1.59 2.60 5.41 -0.56 -4.83 119.36 117.50 1jgz n ILE 216 Ca 0.01 -0.04 -0.46 0.00 1.00 0.00 0.00 62.75 63.26 1jgz n ILE 216 Cb 0.39 -1.31 -0.02 0.00 -0.71 0.00 0.00 39.64 37.99 1jgz n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1jgz n PRO 217 N 4.62 1.34 -4.01 0.38 -0.02 -1.26 -4.97 135.00 131.08 1jgz n PRO 217 Ca 0.22 0.47 -0.22 0.00 -2.02 0.00 0.00 63.50 61.96 1jgz n PRO 217 Cb 0.20 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1jgz n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jgz s THR 218 N -0.68 5.01 0.40 3.45 -4.23 -1.26 -4.76 115.64 113.58 1jgz s THR 218 Ca 0.64 -1.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.11 1jgz s THR 218 Cb -0.75 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.39 1jgz s THR 218 CO 0.56 -0.31 0.58 0.27 -0.54 0.00 0.00 174.62 175.18 1jgz s ILE 219 N -2.00 3.76 0.00 2.99 -4.36 -1.26 -5.09 121.20 115.24 1jgz s ILE 219 Ca 0.34 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.92 1jgz s ILE 219 Cb -0.09 -3.33 0.00 0.00 1.25 0.00 0.00 42.46 40.29 1jgz s ILE 219 CO 0.28 -0.17 0.00 0.29 0.24 0.00 0.00 174.94 175.57 1jgz n LYS 220 N -1.88 0.00 -1.67 0.37 5.02 -1.26 -4.85 118.16 113.89 1jgz n LYS 220 Ca 0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 1jgz n LYS 220 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.59 1jgz n LYS 220 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1jgz n SER 221 N 0.00 2.29 -0.72 4.39 2.88 -1.26 -4.85 113.62 116.35 1jgz n SER 221 Ca 0.00 1.19 0.08 0.00 -1.33 0.00 0.00 58.87 58.81 1jgz n SER 221 Cb 0.00 -1.43 0.24 0.00 -0.75 0.00 0.00 64.21 62.27 1jgz n SER 221 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1jgz n PRO 222 N 0.56 1.92 -0.38 -1.46 -0.04 -1.26 -3.78 135.00 130.56 1jgz n PRO 222 Ca 0.06 -1.42 0.06 0.00 -0.04 0.00 0.00 63.50 62.17 1jgz n PRO 222 Cb 0.35 -1.35 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 1jgz n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jgz n THR 223 N 0.64 1.20 -3.61 0.52 -2.24 -1.26 -4.92 114.28 104.60 1jgz n THR 223 Ca 0.15 -1.59 -0.04 0.00 -2.27 0.00 0.00 64.05 60.30 1jgz n THR 223 Cb 0.36 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 1jgz n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1jgz s GLU 224 N -1.81 0.22 0.01 -0.78 -1.05 -1.25 -4.73 118.70 109.32 1jgz s GLU 224 Ca 0.23 -0.05 0.06 0.00 -0.15 0.00 0.00 54.97 55.06 1jgz s GLU 224 Cb 0.21 0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 1jgz s GLU 224 CO -0.01 -0.09 -0.19 0.14 0.95 0.00 0.00 175.26 176.06 1jgz s VAL 225 N -1.95 1.51 0.09 1.83 -7.23 -1.26 -4.53 120.40 108.85 1jgz s VAL 225 Ca 0.09 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 1jgz s VAL 225 Cb -0.01 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1jgz s VAL 225 CO -0.04 0.33 0.16 0.42 -0.31 0.00 0.00 175.10 175.65 1jgz s THR 226 N -0.57 4.96 0.35 5.32 -4.23 -1.26 -4.29 115.64 115.91 1jgz s THR 226 Ca 0.07 -0.63 0.16 0.00 -1.18 0.00 0.00 61.69 60.11 1jgz s THR 226 Cb -0.08 -3.43 0.34 0.00 1.34 0.00 0.00 72.50 70.67 1jgz s THR 226 CO 0.00 0.09 1.65 -0.07 -0.54 0.00 0.00 174.62 175.75 1jgz h LEU 227 N 3.01 0.48 -0.46 4.79 3.38 -1.08 0.51 115.31 125.94 1jgz h LEU 227 Ca -0.46 0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1jgz h LEU 227 Cb 1.17 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 1jgz h LEU 227 CO 0.70 -0.19 0.11 0.25 0.09 0.00 0.00 178.44 179.40 1jgz h LEU 228 N 0.27 0.70 -0.96 1.67 5.85 -1.51 -2.36 115.31 118.96 1jgz h LEU 228 Ca 0.76 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 59.13 1jgz h LEU 228 Cb 1.79 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1jgz h LEU 228 CO -0.63 0.76 -0.45 -0.33 -0.34 0.00 0.00 178.44 177.45 1jgz h GLU 229 N 0.61 0.16 -0.47 1.25 5.08 -0.42 -1.83 114.58 118.96 1jgz h GLU 229 Ca 0.14 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1jgz h GLU 229 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1jgz h GLU 229 CO 0.00 0.58 -0.00 0.93 -1.00 0.00 0.00 179.01 179.52 1jgz h GLU 230 N 0.13 0.83 -0.52 2.33 5.08 -0.72 -1.18 114.58 120.52 1jgz h GLU 230 Ca 0.01 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 1jgz h GLU 230 Cb 0.84 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1jgz h GLU 230 CO 0.07 0.88 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.44 1jgz h ASP 231 N 0.68 0.93 -0.38 1.42 5.19 -1.13 0.09 116.42 123.21 1jgz h ASP 231 Ca 0.13 -0.28 -0.14 0.00 -0.62 0.00 0.00 57.03 56.12 1jgz h ASP 231 Cb 0.51 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1jgz h ASP 231 CO 0.02 1.03 -0.31 0.11 -3.12 0.00 0.00 179.24 176.97 1jgz h LYS 232 N 0.85 0.88 -0.17 3.56 1.57 -1.28 0.88 116.57 122.86 1jgz h LYS 232 Ca 0.14 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1jgz h LYS 232 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1jgz h LYS 232 CO 0.04 1.09 0.02 0.82 -0.57 0.00 0.00 179.45 180.84 1jgz h ILE 233 N 0.68 1.23 0.24 1.86 2.04 -1.04 -2.18 117.51 120.34 1jgz h ILE 233 Ca 0.07 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1jgz h ILE 233 Cb 0.89 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1jgz h ILE 233 CO 0.08 0.23 -0.11 0.00 0.00 0.00 0.00 178.15 178.35 1jgz h GLY 235 N -0.72 1.39 1.00 0.00 0.00 -0.89 -0.56 103.07 103.29 1jgz h GLY 235 Ca -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1jgz h GLY 235 CO 0.05 -0.21 -0.45 -1.82 0.00 0.00 0.00 176.54 174.12 1jgz h TYR 236 N 0.41 -1.16 -0.66 5.60 5.03 -1.36 -2.09 116.97 122.75 1jgz h TYR 236 Ca 0.51 -0.03 0.10 0.00 2.58 0.00 0.00 58.73 61.89 1jgz h TYR 236 Cb 0.90 0.39 -0.08 0.00 1.55 0.00 0.00 36.73 39.49 1jgz h TYR 236 CO -0.16 -0.71 0.27 0.28 -1.32 0.00 0.00 178.16 176.52 1jgz h VAL 237 N -1.23 0.76 -0.50 1.81 2.07 -0.94 -1.62 116.25 116.60 1jgz h VAL 237 Ca -0.12 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.27 1jgz h VAL 237 Cb 0.95 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1jgz h VAL 237 CO 0.20 0.08 0.34 0.00 0.02 0.00 0.00 177.57 178.21 1jgz h ALA 238 N 1.45 1.75 -0.16 1.67 0.00 -1.04 -2.37 119.26 120.55 1jgz h ALA 238 Ca 0.34 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1jgz h ALA 238 Cb 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jgz h ALA 238 CO -0.32 0.20 -0.40 0.78 0.00 0.00 0.00 179.25 179.51 1jgz h GLY 239 N 0.58 0.40 -0.34 0.00 0.00 -0.57 -3.12 103.07 100.02 1jgz h GLY 239 Ca 0.20 -0.39 0.29 0.00 0.00 0.00 0.00 47.33 47.44 1jgz h GLY 239 CO -0.05 0.35 0.65 -1.33 0.00 0.00 0.00 176.54 176.16 1jgz h GLY 240 N 1.15 1.58 -0.25 4.60 0.00 -1.27 0.96 103.07 109.84 1jgz h GLY 240 Ca 0.03 -0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.22 1jgz h GLY 240 CO 0.07 -0.27 -0.33 1.41 0.00 0.00 0.00 176.54 177.42 1jgz h LEU 241 N 0.39 -1.11 0.03 3.11 3.38 -1.50 1.62 115.31 121.22 1jgz h LEU 241 Ca 0.67 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.79 1jgz h LEU 241 Cb 1.60 0.53 0.00 0.00 0.09 0.00 0.00 40.66 42.89 1jgz h LEU 241 CO -0.42 -0.31 -0.19 -0.03 0.09 0.00 0.00 178.44 177.57 1jgz h MET 242 N -0.22 0.08 0.00 1.13 4.05 -1.12 -3.39 114.93 115.46 1jgz h MET 242 Ca 0.19 -0.12 -0.15 0.00 -0.28 0.00 0.00 59.70 59.34 1jgz h MET 242 Cb 0.54 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1jgz h MET 242 CO -0.58 1.01 -0.69 1.88 0.23 0.00 0.00 176.91 178.75 1jgz h TYR 243 N -0.78 0.00 -1.00 1.39 0.05 -0.78 -3.29 116.97 112.56 1jgz h TYR 243 Ca -0.03 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.86 1jgz h TYR 243 Cb 1.09 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.75 1jgz h TYR 243 CO 0.24 0.69 0.63 0.00 -1.05 0.00 0.00 178.16 178.67 1jgz h ALA 244 N 1.31 1.49 0.00 3.88 0.00 0.22 -3.36 119.26 122.80 1jgz h ALA 244 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jgz h ALA 244 Cb 1.47 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1jgz h ALA 244 CO 0.09 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1jgz n ALA 245 N -2.35 0.00 0.00 0.00 0.00 -1.24 -4.99 120.51 111.93 1jgz n ALA 245 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1jgz n ALA 245 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1jgz n ALA 245 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20