#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gsy h LEU 27 N 0.00 0.55 -0.66 0.64 5.85 -2.00 -1.95 115.31 117.74 3gsy h LEU 27 Ca 0.00 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3gsy h LEU 27 Cb 0.00 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3gsy h LEU 27 CO 0.00 0.57 0.36 -0.07 -0.34 0.00 0.00 178.44 178.96 3gsy h LEU 28 N 0.49 0.83 -1.10 2.25 3.38 -1.99 -0.88 115.31 118.30 3gsy h LEU 28 Ca 0.13 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3gsy h LEU 28 Cb 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3gsy h LEU 28 CO -0.01 0.70 0.21 0.77 0.09 0.00 0.00 178.44 180.19 3gsy h SER 29 N 0.91 0.78 -0.27 -0.43 4.64 -1.96 0.61 113.55 117.83 3gsy h SER 29 Ca 0.23 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 3gsy h SER 29 Cb 0.05 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3gsy h SER 29 CO -0.04 0.71 0.04 0.00 -0.87 0.00 0.00 176.83 176.68 3gsy h LEU 31 N 0.26 1.08 -0.24 0.00 3.38 -0.61 -1.63 115.31 117.54 3gsy h LEU 31 Ca 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3gsy h LEU 31 Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3gsy h LEU 31 CO 0.01 0.92 0.07 0.74 0.09 0.00 0.00 178.44 180.27 3gsy h THR 32 N 1.16 1.20 -0.09 0.22 2.02 -0.80 0.21 112.91 116.83 3gsy h THR 32 Ca 0.28 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.86 3gsy h THR 32 Cb 0.13 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3gsy h THR 32 CO -0.03 0.20 0.08 0.15 0.37 0.00 0.00 175.52 176.29 3gsy h PHE 33 N 0.22 0.00 -0.41 3.16 3.57 -0.79 -1.99 116.94 120.71 3gsy h PHE 33 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3gsy h PHE 33 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3gsy h PHE 33 CO 0.00 0.00 0.00 0.09 -2.23 0.00 0.00 178.31 176.17 3gsy n ASN 34 N -4.21 3.33 0.00 0.41 3.02 -0.64 -4.98 115.26 112.18 3gsy n ASN 34 Ca -0.01 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 3gsy n ASN 34 Cb 0.19 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3gsy n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gsy n GLY 35 N 1.28 0.42 3.49 7.41 0.00 -0.44 -4.95 105.19 112.40 3gsy n GLY 35 Ca 0.18 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 3gsy n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gsy s VAL 36 N -2.00 5.18 -0.03 1.61 1.01 0.60 -4.94 120.40 121.83 3gsy s VAL 36 Ca 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 61.98 61.68 3gsy s VAL 36 Cb 0.00 -3.74 -0.17 0.00 0.00 0.00 0.00 36.38 32.47 3gsy s VAL 36 CO 0.00 -0.11 0.21 0.54 0.00 0.00 0.00 175.10 175.74 3gsy n ARG 37 N 5.11 0.64 -2.97 2.72 1.74 -1.26 -3.99 116.66 118.65 3gsy n ARG 37 Ca -0.12 -0.09 -0.44 0.00 -0.77 0.00 0.00 57.85 56.43 3gsy n ARG 37 Cb 0.49 -1.26 -0.02 0.00 -1.02 0.00 0.00 32.46 30.64 3gsy n ARG 37 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3gsy s ASN 38 N -3.43 6.65 0.06 0.55 3.84 -1.26 -4.94 114.94 116.40 3gsy s ASN 38 Ca -0.04 -2.12 -0.12 0.00 0.21 0.00 0.00 52.86 50.79 3gsy s ASN 38 Cb 0.06 -2.38 0.01 0.00 -0.55 0.00 0.00 41.25 38.40 3gsy s ASN 38 CO 0.45 -1.01 0.26 -1.38 -2.79 0.00 0.00 177.10 172.63 3gsy s HIS 39 N 2.42 -0.01 -0.06 0.43 -3.43 -1.26 -0.84 115.29 112.54 3gsy s HIS 39 Ca 0.31 -0.24 -0.03 0.00 -0.80 0.00 0.00 55.06 54.30 3gsy s HIS 39 Cb -0.05 0.04 0.03 0.00 -1.43 0.00 0.00 32.58 31.17 3gsy s HIS 39 CO -0.09 -0.52 0.13 -0.08 -2.00 0.00 0.00 174.74 172.18 3gsy s THR 40 N -3.04 -0.05 0.44 -5.38 -1.32 -0.46 -5.00 115.64 100.84 3gsy s THR 40 Ca -0.01 0.17 -0.08 0.00 -1.21 0.00 0.00 61.69 60.55 3gsy s THR 40 Cb 0.01 -0.21 -0.05 0.00 -1.51 0.00 0.00 72.50 70.73 3gsy s THR 40 CO -0.06 0.07 0.78 0.68 -2.21 0.00 0.00 174.62 173.87 3gsy s VAL 41 N 1.06 4.83 0.13 5.08 -7.23 -1.26 -0.75 120.40 122.26 3gsy s VAL 41 Ca -0.08 0.46 -0.34 0.00 -1.81 0.00 0.00 61.98 60.20 3gsy s VAL 41 Cb -0.11 -3.79 -0.17 0.00 0.56 0.00 0.00 36.38 32.88 3gsy s VAL 41 CO -0.05 -0.66 1.14 0.33 -0.31 0.00 0.00 175.10 175.55 3gsy n PHE 42 N -1.70 1.12 -4.65 2.82 7.35 -0.42 -4.74 117.46 117.25 3gsy n PHE 42 Ca 0.02 0.75 -0.23 0.00 -0.76 0.00 0.00 57.45 57.22 3gsy n PHE 42 Cb 0.54 -2.24 -0.16 0.00 0.35 0.00 0.00 39.48 37.98 3gsy n PHE 42 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3gsy s SER 43 N 0.03 1.72 0.16 -2.13 0.15 -1.26 -5.01 113.70 107.36 3gsy s SER 43 Ca 0.78 -0.27 0.25 0.00 0.70 0.00 0.00 55.95 57.41 3gsy s SER 43 Cb -0.94 -0.37 0.92 0.00 -1.71 0.00 0.00 66.02 63.92 3gsy s SER 43 CO 0.52 0.14 1.77 0.00 1.20 0.00 0.00 173.24 176.87 3gsy n ALA 44 N 3.03 2.11 -1.61 5.45 0.00 -1.26 -4.79 120.51 123.43 3gsy n ALA 44 Ca -0.17 -0.02 -0.44 0.00 0.00 0.00 0.00 53.44 52.82 3gsy n ALA 44 Cb 0.54 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 3gsy n ALA 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gsy n ASP 45 N -2.04 3.47 -0.33 0.00 2.03 -1.26 -4.85 116.55 113.57 3gsy n ASP 45 Ca 0.05 0.51 0.04 0.00 0.52 0.00 0.00 54.79 55.91 3gsy n ASP 45 Cb 0.35 -1.50 0.10 0.00 -0.72 0.00 0.00 41.12 39.35 3gsy n ASP 45 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3gsy n SER 46 N 9.78 -0.39 -1.61 1.67 2.88 -1.26 -0.76 113.62 123.93 3gsy n SER 46 Ca 0.27 1.55 -0.15 0.00 -1.33 0.00 0.00 58.87 59.21 3gsy n SER 46 Cb 0.40 -0.44 0.13 0.00 -0.75 0.00 0.00 64.21 63.55 3gsy n SER 46 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3gsy n ASP 47 N -5.42 4.00 -4.62 -3.46 5.68 -1.26 -4.84 116.55 106.62 3gsy n ASP 47 Ca 0.13 -3.79 -0.30 0.00 -0.50 0.00 0.00 54.79 50.33 3gsy n ASP 47 Cb 0.42 -0.61 0.19 0.00 -1.14 0.00 0.00 41.12 39.98 3gsy n ASP 47 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3gsy s SER 48 N -2.73 2.42 0.35 -1.12 1.04 0.06 -4.84 113.70 108.87 3gsy s SER 48 Ca 0.50 1.92 0.05 0.00 0.48 0.00 0.00 55.95 58.89 3gsy s SER 48 Cb 0.43 -2.46 0.63 0.00 0.10 0.00 0.00 66.02 64.72 3gsy s SER 48 CO 0.01 -3.37 1.90 0.44 0.98 0.00 0.00 173.24 173.20 3gsy h ASP 49 N -2.05 0.50 -0.35 7.02 3.32 -1.96 -2.24 116.42 120.67 3gsy h ASP 49 Ca -0.49 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 56.53 3gsy h ASP 49 Cb 1.29 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 3gsy h ASP 49 CO 0.46 0.54 0.08 0.15 -1.72 0.00 0.00 179.24 178.74 3gsy h PHE 50 N 0.53 0.13 -0.43 4.55 3.57 -1.91 -0.98 116.94 122.40 3gsy h PHE 50 Ca 0.12 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 3gsy h PHE 50 Cb 0.27 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3gsy h PHE 50 CO 0.01 0.03 -0.04 -0.97 -2.23 0.00 0.00 178.31 175.11 3gsy h ASN 51 N 0.20 0.70 -0.30 0.41 -0.73 -1.78 -0.27 115.58 113.82 3gsy h ASN 51 Ca 0.16 -0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 3gsy h ASN 51 Cb 0.18 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 3gsy h ASN 51 CO -0.20 0.79 0.15 -0.09 -0.37 0.00 0.00 177.43 177.71 3gsy h ARG 52 N 0.67 0.42 -0.36 6.67 2.43 -0.90 -1.49 114.38 121.82 3gsy h ARG 52 Ca 0.13 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 3gsy h ARG 52 Cb 0.48 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3gsy h ARG 52 CO 0.02 0.39 -0.26 0.74 -1.51 0.00 0.00 179.97 179.35 3gsy h PHE 53 N 0.35 0.83 -0.26 2.20 0.04 -0.96 -1.98 116.94 117.16 3gsy h PHE 53 Ca 0.10 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3gsy h PHE 53 Cb 0.10 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 3gsy h PHE 53 CO -0.02 0.91 0.17 1.25 -0.60 0.00 0.00 178.31 180.02 3gsy h LEU 54 N 0.63 0.30 0.00 1.54 5.85 -0.79 -3.13 115.31 119.72 3gsy h LEU 54 Ca 0.08 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3gsy h LEU 54 Cb 0.76 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3gsy h LEU 54 CO 0.06 0.22 -0.27 0.45 -0.34 0.00 0.00 178.44 178.57 3gsy h HIS 55 N 0.35 0.00 -0.92 1.25 3.86 -1.19 -3.36 115.15 115.14 3gsy h HIS 55 Ca 0.10 0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.48 3gsy h HIS 55 Cb -0.04 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.33 3gsy h HIS 55 CO -0.06 0.00 0.51 1.25 0.86 0.00 0.00 177.93 180.49 3gsy h LEU 56 N 0.00 0.61 -3.14 2.43 5.85 -1.30 -2.37 115.31 117.39 3gsy h LEU 56 Ca 0.00 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3gsy h LEU 56 Cb 0.87 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3gsy h LEU 56 CO 0.00 0.21 -0.25 -1.20 -0.34 0.00 0.00 178.44 176.86 3gsy n SER 57 N -4.85 2.21 -4.59 1.25 7.64 -1.26 -4.94 113.62 109.09 3gsy n SER 57 Ca 0.21 -3.69 -0.43 0.00 1.01 0.00 0.00 58.87 55.97 3gsy n SER 57 Cb 0.53 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 3gsy n SER 57 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gsy s ILE 58 N -3.16 4.58 -1.91 0.44 1.01 -0.90 -4.09 121.20 117.17 3gsy s ILE 58 Ca 0.40 0.96 0.22 0.00 0.00 0.00 0.00 60.65 62.23 3gsy s ILE 58 Cb 0.37 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3gsy s ILE 58 CO -0.02 -0.62 1.06 0.00 0.00 0.00 0.00 174.94 175.36 3gsy n GLN 59 N 6.83 1.07 -3.98 2.79 1.13 -1.10 -4.69 117.38 119.44 3gsy n GLN 59 Ca 0.06 -0.88 -0.31 0.00 -1.94 0.00 0.00 57.00 53.93 3gsy n GLN 59 Cb 0.48 -1.48 -0.15 0.00 0.11 0.00 0.00 30.24 29.20 3gsy n GLN 59 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3gsy s ASN 60 N -2.54 4.49 0.43 1.08 3.84 -1.26 -4.89 114.94 116.08 3gsy s ASN 60 Ca 0.17 -1.82 0.20 0.00 0.21 0.00 0.00 52.86 51.62 3gsy s ASN 60 Cb 0.18 -1.45 1.11 0.00 -0.55 0.00 0.00 41.25 40.54 3gsy s ASN 60 CO 0.61 -0.33 1.57 -0.65 -2.79 0.00 0.00 177.10 175.51 3gsy h PRO 61 N 7.75 0.00 -0.35 0.43 0.11 -1.84 -1.15 132.00 136.96 3gsy h PRO 61 Ca -0.10 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.11 3gsy h PRO 61 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3gsy h PRO 61 CO 0.49 0.00 0.30 1.25 -0.21 0.00 0.00 178.00 179.83 3gsy h LEU 62 N 0.00 0.00 -3.42 2.35 5.85 -1.89 -2.21 115.31 115.99 3gsy h LEU 62 Ca 0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 3gsy h LEU 62 Cb 0.48 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.35 3gsy h LEU 62 CO 0.00 0.00 -0.15 0.49 -0.34 0.00 0.00 178.44 178.44 3gsy n PHE 63 N -4.07 1.35 0.31 1.25 3.72 -0.43 -4.59 117.46 115.00 3gsy n PHE 63 Ca 0.06 -1.77 0.06 0.00 -0.05 0.00 0.00 57.45 55.74 3gsy n PHE 63 Cb 0.47 -0.52 -0.08 0.00 -0.94 0.00 0.00 39.48 38.41 3gsy n PHE 63 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3gsy n GLN 64 N -1.07 1.73 -1.46 -1.08 7.27 -0.83 -4.93 117.38 117.01 3gsy n GLN 64 Ca 0.36 -0.05 -0.31 0.00 0.07 0.00 0.00 57.00 57.06 3gsy n GLN 64 Cb 0.99 -1.19 0.07 0.00 2.41 0.00 0.00 30.24 32.52 3gsy n GLN 64 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3gsy s ASN 65 N -2.78 4.88 0.42 1.69 2.20 -1.26 -4.92 114.94 115.18 3gsy s ASN 65 Ca 0.00 1.62 0.29 0.00 -0.94 0.00 0.00 52.86 53.83 3gsy s ASN 65 Cb 0.09 -2.42 1.50 0.00 -2.00 0.00 0.00 41.25 38.43 3gsy s ASN 65 CO 0.52 -1.76 1.88 0.77 -2.94 0.00 0.00 177.10 175.57 3gsy h SER 66 N -0.94 0.00 1.51 3.54 4.64 -2.00 -1.80 113.55 118.50 3gsy h SER 66 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3gsy h SER 66 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3gsy h SER 66 CO 0.55 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 176.44 3gsy h LEU 67 N 0.00 0.00-10.06 5.97 3.38 -2.00 -3.46 115.31 109.15 3gsy h LEU 67 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 3gsy h LEU 67 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 3gsy h LEU 67 CO 0.00 0.00 0.37 -0.63 0.09 0.00 0.00 178.44 178.27 3gsy s ILE 68 N -3.14 3.99 0.40 1.22 1.09 -0.68 -5.01 121.20 119.07 3gsy s ILE 68 Ca 0.09 1.26 -0.26 0.00 -1.10 0.00 0.00 60.65 60.65 3gsy s ILE 68 Cb 0.11 -3.52 -0.10 0.00 -1.06 0.00 0.00 42.46 37.88 3gsy s ILE 68 CO 0.59 -0.24 1.21 -1.54 -0.10 0.00 0.00 174.94 174.86 3gsy n SER 69 N -0.78 2.27 -4.27 3.58 3.41 -1.26 -5.03 113.62 111.54 3gsy n SER 69 Ca 0.08 1.11 -0.25 0.00 -0.26 0.00 0.00 58.87 59.55 3gsy n SER 69 Cb 0.53 -1.46 -0.14 0.00 -0.26 0.00 0.00 64.21 62.88 3gsy n SER 69 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gsy s LYS 70 N -2.10 1.33 0.56 4.33 -0.14 -1.26 -4.77 119.74 117.70 3gsy s LYS 70 Ca 0.61 -1.04 -0.20 0.00 -1.36 0.00 0.00 55.97 53.97 3gsy s LYS 70 Cb -0.53 -1.51 -0.04 0.00 -1.68 0.00 0.00 37.83 34.06 3gsy s LYS 70 CO 0.58 0.37 1.24 -2.14 -0.76 0.00 0.00 175.35 174.64 3gsy s PRO 71 N -1.46 3.11 0.36 -1.68 0.02 -1.26 -4.75 135.00 129.35 3gsy s PRO 71 Ca 0.08 1.91 0.19 0.00 0.02 0.00 0.00 61.00 63.20 3gsy s PRO 71 Cb -0.09 -2.07 0.50 0.00 0.02 0.00 0.00 34.50 32.86 3gsy s PRO 71 CO 0.03 -1.12 1.64 0.77 -0.33 0.00 0.00 177.00 178.00 3gsy h SER 72 N 1.18 0.00 -5.01 2.53 0.02 -1.48 -3.41 113.55 107.38 3gsy h SER 72 Ca -0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 3gsy h SER 72 Cb 1.29 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.72 3gsy h SER 72 CO 0.56 0.35 0.19 0.00 -1.14 0.00 0.00 176.83 176.80 3gsy s ALA 73 N -3.34 -1.51 -0.09 3.77 0.00 -1.26 -1.30 121.76 118.03 3gsy s ALA 73 Ca 0.02 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.38 3gsy s ALA 73 Cb 0.09 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.09 3gsy s ALA 73 CO 0.69 -0.79 -0.17 0.42 0.00 0.00 0.00 175.76 175.92 3gsy s ILE 74 N -3.77 1.53 -0.09 0.00 1.01 0.07 -1.90 121.20 118.05 3gsy s ILE 74 Ca 0.02 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.00 3gsy s ILE 74 Cb -0.01 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 3gsy s ILE 74 CO -0.11 0.44 -0.18 -0.63 0.00 0.00 0.00 174.94 174.47 3gsy s ILE 75 N 0.69 2.66 -0.71 2.92 -1.09 0.46 -1.35 121.20 124.77 3gsy s ILE 75 Ca -0.13 -0.83 0.02 0.00 -2.23 0.00 0.00 60.65 57.48 3gsy s ILE 75 Cb -0.16 -2.06 0.17 0.00 -1.58 0.00 0.00 42.46 38.84 3gsy s ILE 75 CO 0.03 0.55 0.52 -0.76 -1.23 0.00 0.00 174.94 174.05 3gsy s LEU 76 N 0.05 5.00 0.45 2.97 1.02 -0.02 -0.86 118.68 127.29 3gsy s LEU 76 Ca -0.07 -3.49 -0.24 0.00 0.02 0.00 0.00 54.13 50.34 3gsy s LEU 76 Cb -0.15 -1.75 -0.08 0.00 0.02 0.00 0.00 46.19 44.24 3gsy s LEU 76 CO 0.05 -0.19 1.32 -2.16 0.02 0.00 0.00 176.35 175.39 3gsy s PRO 77 N -0.98 3.69 0.00 1.29 0.04 -1.26 -4.60 135.00 133.18 3gsy s PRO 77 Ca 0.23 2.17 0.10 0.00 0.04 0.00 0.00 61.00 63.53 3gsy s PRO 77 Cb -0.12 -2.57 0.17 0.00 0.04 0.00 0.00 34.50 32.02 3gsy s PRO 77 CO -0.10 -0.73 1.01 0.41 0.04 0.00 0.00 177.00 177.63 3gsy n GLY 78 N 0.63 1.12 3.70 0.56 0.00 -1.26 -4.38 105.19 105.55 3gsy n GLY 78 Ca 0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 3gsy n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gsy s SER 79 N -0.90 -0.33 0.32 1.61 1.04 -1.26 -4.89 113.70 109.29 3gsy s SER 79 Ca 0.16 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.14 3gsy s SER 79 Cb 0.09 0.67 0.53 0.00 0.10 0.00 0.00 66.02 67.42 3gsy s SER 79 CO 0.13 -1.21 1.88 0.07 0.98 0.00 0.00 173.24 175.09 3gsy h LYS 80 N 2.04 0.71 -0.44 4.02 2.10 -1.97 -1.28 116.57 121.74 3gsy h LYS 80 Ca -0.24 -0.12 -0.04 0.00 -2.00 0.00 0.00 60.65 58.24 3gsy h LYS 80 Cb 1.27 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 3gsy h LYS 80 CO 0.29 0.63 0.11 0.93 -2.00 0.00 0.00 179.45 179.41 3gsy h GLU 81 N 0.69 0.71 -0.44 0.07 3.07 -1.99 -0.44 114.58 116.25 3gsy h GLU 81 Ca 0.16 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 3gsy h GLU 81 Cb 0.23 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3gsy h GLU 81 CO -0.01 0.71 0.09 0.93 -1.40 0.00 0.00 179.01 179.33 3gsy h GLU 82 N 0.58 0.67 -0.32 2.33 5.08 -1.85 -0.02 114.58 121.06 3gsy h GLU 82 Ca 0.14 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3gsy h GLU 82 Cb 0.32 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3gsy h GLU 82 CO 0.00 0.63 0.00 1.25 -1.00 0.00 0.00 179.01 179.89 3gsy h LEU 83 N 0.65 0.56 -0.12 1.33 5.85 -0.96 0.46 115.31 123.08 3gsy h LEU 83 Ca 0.15 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3gsy h LEU 83 Cb 0.27 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3gsy h LEU 83 CO 0.00 0.73 -0.09 -1.28 -0.34 0.00 0.00 178.44 177.46 3gsy h SER 84 N 0.37 -0.27 0.51 1.25 0.87 -0.76 -2.24 113.55 113.29 3gsy h SER 84 Ca 0.09 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 3gsy h SER 84 Cb 0.44 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 3gsy h SER 84 CO 0.02 -0.12 -0.51 0.78 -0.53 0.00 0.00 176.83 176.47 3gsy h ASN 85 N -0.09 0.00 0.06 6.23 2.35 -0.89 -1.59 115.58 121.64 3gsy h ASN 85 Ca 0.08 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3gsy h ASN 85 Cb 0.20 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3gsy h ASN 85 CO -0.18 0.51 -0.03 0.74 -1.65 0.00 0.00 177.43 176.83 3gsy h THR 86 N 0.00 1.02 -0.41 2.81 2.02 -0.68 -1.08 112.91 116.59 3gsy h THR 86 Ca -0.01 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 66.96 3gsy h THR 86 Cb 0.91 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 3gsy h THR 86 CO 0.07 0.06 0.22 0.40 0.37 0.00 0.00 175.52 176.64 3gsy h ILE 87 N -0.18 1.01 -0.76 3.11 2.04 -1.18 -1.32 117.51 120.24 3gsy h ILE 87 Ca -0.01 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3gsy h ILE 87 Cb 0.15 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 3gsy h ILE 87 CO 0.01 0.08 0.43 0.03 0.00 0.00 0.00 178.15 178.70 3gsy h ARG 88 N 0.45 0.73 -0.34 2.37 3.08 -1.13 -2.06 114.38 117.49 3gsy h ARG 88 Ca 0.17 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 3gsy h ARG 88 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3gsy h ARG 88 CO -0.09 0.48 -0.30 0.00 -1.07 0.00 0.00 179.97 178.99 3gsy h ILE 90 N 0.58 1.10 0.00 0.00 2.04 -0.76 -2.23 117.51 118.24 3gsy h ILE 90 Ca 0.06 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3gsy h ILE 90 Cb 0.88 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3gsy h ILE 90 CO 0.08 0.10 -0.44 0.03 0.00 0.00 0.00 178.15 177.91 3gsy h ARG 91 N 0.55 0.00 0.00 2.37 3.08 -1.30 -2.07 114.38 117.02 3gsy h ARG 91 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3gsy h ARG 91 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3gsy h ARG 91 CO -0.03 0.44 -0.00 0.87 -1.07 0.00 0.00 179.97 180.18 3gsy h LYS 92 N 0.00 0.00 0.00 0.04 1.57 -1.37 -3.43 116.57 113.38 3gsy h LYS 92 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gsy h LYS 92 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3gsy h LYS 92 CO 0.06 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 3gsy n GLY 93 N -0.67 2.56 2.44 3.86 0.00 -0.78 -5.07 105.19 107.53 3gsy n GLY 93 Ca -0.02 -2.06 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 3gsy n GLY 93 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gsy n SER 94 N -0.44 3.24 -4.36 1.61 2.88 -1.26 -5.04 113.62 110.25 3gsy n SER 94 Ca 0.00 -3.33 -0.24 0.00 -1.33 0.00 0.00 58.87 53.97 3gsy n SER 94 Cb 0.00 -0.67 -0.12 0.00 -0.75 0.00 0.00 64.21 62.67 3gsy n SER 94 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3gsy s TRP 95 N -2.21 2.01 -0.13 0.66 0.52 -1.26 -4.94 118.94 113.60 3gsy s TRP 95 Ca 0.38 -0.42 -0.18 0.00 0.02 0.00 0.00 56.10 55.91 3gsy s TRP 95 Cb 0.13 -1.02 -0.04 0.00 -1.15 0.00 0.00 33.47 31.39 3gsy s TRP 95 CO -0.04 0.36 0.45 0.99 0.02 0.00 0.00 176.95 178.74 3gsy s THR 96 N -1.69 5.21 0.03 2.01 2.01 -0.65 -4.95 115.64 117.60 3gsy s THR 96 Ca 0.16 0.89 -0.26 0.00 0.31 0.00 0.00 61.69 62.79 3gsy s THR 96 Cb -0.08 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3gsy s THR 96 CO 0.07 0.33 0.81 -0.63 -0.69 0.00 0.00 174.62 174.51 3gsy s ILE 97 N 0.62 4.77 -0.10 1.82 1.01 -1.26 -1.03 121.20 127.02 3gsy s ILE 97 Ca 0.25 1.72 0.02 0.00 0.00 0.00 0.00 60.65 62.63 3gsy s ILE 97 Cb -0.15 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.18 3gsy s ILE 97 CO 0.09 0.31 -0.15 -0.13 0.00 0.00 0.00 174.94 175.06 3gsy s ARG 98 N 0.24 2.21 -0.16 2.79 1.81 -0.37 -4.80 118.95 120.67 3gsy s ARG 98 Ca 0.41 -0.56 -0.08 0.00 -1.72 0.00 0.00 55.73 53.78 3gsy s ARG 98 Cb -0.20 -1.86 -0.04 0.00 -0.45 0.00 0.00 34.95 32.39 3gsy s ARG 98 CO 0.24 -0.04 0.12 -0.51 -0.68 0.00 0.00 175.30 174.43 3gsy s LEU 99 N 0.91 4.20 -0.06 2.53 1.43 -1.26 -0.35 118.68 126.08 3gsy s LEU 99 Ca -0.08 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 3gsy s LEU 99 Cb -0.15 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.03 3gsy s LEU 99 CO -0.00 0.28 -0.09 -0.60 0.23 0.00 0.00 176.35 176.17 3gsy s ARG 100 N -0.27 1.38 0.00 1.70 3.52 -0.39 -4.57 118.95 120.32 3gsy s ARG 100 Ca 0.11 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 3gsy s ARG 100 Cb -0.12 -1.21 0.00 0.00 -1.56 0.00 0.00 34.95 32.06 3gsy s ARG 100 CO 0.01 -0.03 0.00 0.45 -0.81 0.00 0.00 175.30 174.92 3gsy n SER 101 N 3.96 0.00 0.01 -2.12 2.88 -1.26 -0.78 113.62 116.31 3gsy n SER 101 Ca -0.23 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.42 3gsy n SER 101 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 3gsy n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gsy n GLY 102 N 2.98 -1.12 2.22 0.46 0.00 -1.26 -4.63 105.19 103.85 3gsy n GLY 102 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 3gsy n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gsy n GLY 103 N 1.42 0.93 0.24 -0.02 0.00 -1.26 -4.69 105.19 101.81 3gsy n GLY 103 Ca 0.03 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.50 3gsy n GLY 103 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gsy n HIS 104 N -2.83 0.01 -1.66 1.61 8.25 -1.26 -2.69 115.22 116.64 3gsy n HIS 104 Ca -0.08 -0.00 -0.60 0.00 -0.26 0.00 0.00 57.72 56.78 3gsy n HIS 104 Cb 0.27 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.30 3gsy n HIS 104 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3gsy n SER 105 N -0.42 1.36 0.29 0.41 2.88 -1.26 -4.79 113.62 112.10 3gsy n SER 105 Ca 0.21 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 59.03 3gsy n SER 105 Cb 0.23 -1.02 0.87 0.00 -0.75 0.00 0.00 64.21 63.54 3gsy n SER 105 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3gsy h TYR 106 N 5.13 0.00 -0.31 0.66 0.05 -1.87 -1.69 116.97 118.95 3gsy h TYR 106 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3gsy h TYR 106 Cb 1.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.10 3gsy h TYR 106 CO 0.66 0.01 0.00 0.39 -1.05 0.00 0.00 178.16 178.17 3gsy n GLU 107 N -3.90 2.91 -2.16 4.88 -0.58 -1.26 -4.96 120.64 115.56 3gsy n GLU 107 Ca -0.03 -2.39 -0.17 0.00 -0.42 0.00 0.00 57.16 54.15 3gsy n GLU 107 Cb 0.10 -1.52 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 3gsy n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gsy n GLY 108 N 0.07 0.08 0.00 0.62 0.00 -0.64 -4.88 105.19 100.44 3gsy n GLY 108 Ca 0.16 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3gsy n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gsy n LEU 109 N -2.39 0.00 -0.07 0.99 4.77 -1.26 -2.32 117.00 116.72 3gsy n LEU 109 Ca -0.20 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.21 3gsy n LEU 109 Cb 0.64 -0.30 0.42 0.00 -2.33 0.00 0.00 43.42 41.85 3gsy n LEU 109 CO 0.24 -0.02 0.68 -1.54 -1.33 0.00 0.00 177.39 175.42 3gsy n SER 110 N -1.30 0.51 -0.42 -1.43 3.41 -1.26 -4.42 113.62 108.71 3gsy n SER 110 Ca 0.13 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3gsy n SER 110 Cb 0.23 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3gsy n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gsy n TYR 111 N -1.21 0.00 -4.16 7.33 0.18 -1.02 -4.22 117.16 114.06 3gsy n TYR 111 Ca 0.09 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.74 3gsy n TYR 111 Cb 0.32 0.07 -0.11 0.00 -0.38 0.00 0.00 39.34 39.25 3gsy n TYR 111 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 3gsy s THR 112 N 0.00 0.81 -0.25 -3.48 -4.23 -0.98 -4.72 115.64 102.80 3gsy s THR 112 Ca 0.00 -1.65 -0.26 0.00 -1.18 0.00 0.00 61.69 58.59 3gsy s THR 112 Cb 0.00 -1.35 0.13 0.00 1.34 0.00 0.00 72.50 72.61 3gsy s THR 112 CO 0.00 -0.63 1.04 -0.55 -0.54 0.00 0.00 174.62 173.94 3gsy s SER 113 N -2.51 -0.41 0.41 3.99 0.15 -1.26 -4.82 113.70 109.25 3gsy s SER 113 Ca 0.05 0.71 0.22 0.00 0.70 0.00 0.00 55.95 57.63 3gsy s SER 113 Cb -0.01 0.69 0.66 0.00 -1.71 0.00 0.00 66.02 65.64 3gsy s SER 113 CO -0.01 -0.20 1.71 0.44 1.20 0.00 0.00 173.24 176.38 3gsy h ASP 114 N 3.70 0.00 -2.81 5.45 3.32 -2.01 -3.45 116.42 120.62 3gsy h ASP 114 Ca -0.25 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.21 3gsy h ASP 114 Cb 1.17 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.66 3gsy h ASP 114 CO 0.17 0.25 -0.55 0.42 -1.72 0.00 0.00 179.24 177.80 3gsy s THR 115 N -3.42 4.68 0.16 0.35 -4.23 -1.26 -5.05 115.64 106.87 3gsy s THR 115 Ca 0.02 -0.90 -0.34 0.00 -1.18 0.00 0.00 61.69 59.29 3gsy s THR 115 Cb 0.09 -3.35 -0.15 0.00 1.34 0.00 0.00 72.50 70.42 3gsy s THR 115 CO 0.66 -0.03 1.32 -2.65 -0.54 0.00 0.00 174.62 173.38 3gsy n PRO 116 N -0.14 1.46 -4.12 3.99 -0.02 -1.26 -4.80 135.00 130.11 3gsy n PRO 116 Ca -0.08 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 61.83 3gsy n PRO 116 Cb 0.54 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 3gsy n PRO 116 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3gsy s PHE 117 N 0.19 0.67 -0.14 6.00 -0.12 -1.26 -1.64 117.98 121.67 3gsy s PHE 117 Ca 0.76 -0.95 -0.01 0.00 -0.05 0.00 0.00 56.93 56.68 3gsy s PHE 117 Cb -0.82 -0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 41.12 3gsy s PHE 117 CO 0.48 -0.26 -0.10 0.42 -0.05 0.00 0.00 175.22 175.71 3gsy s ILE 118 N -3.54 3.32 -0.32 -4.49 -1.09 -0.20 -1.03 121.20 113.85 3gsy s ILE 118 Ca 0.07 -0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 57.76 3gsy s ILE 118 Cb 0.05 -2.42 -0.01 0.00 -1.58 0.00 0.00 42.46 38.49 3gsy s ILE 118 CO -0.07 0.51 0.46 -0.22 -1.23 0.00 0.00 174.94 174.39 3gsy s LEU 119 N 0.44 4.27 -0.53 2.97 2.96 -0.80 -1.24 118.68 126.76 3gsy s LEU 119 Ca -0.08 0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.73 3gsy s LEU 119 Cb -0.15 -2.52 0.11 0.00 0.50 0.00 0.00 46.19 44.13 3gsy s LEU 119 CO 0.04 -0.37 0.50 -0.63 -1.32 0.00 0.00 176.35 174.57 3gsy s ILE 120 N 2.25 5.15 -0.18 6.68 1.01 0.53 -0.40 121.20 136.22 3gsy s ILE 120 Ca 0.17 -1.25 -0.18 0.00 0.00 0.00 0.00 60.65 59.39 3gsy s ILE 120 Cb -0.16 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 3gsy s ILE 120 CO 0.12 -0.82 0.49 -0.62 0.00 0.00 0.00 174.94 174.11 3gsy s ASP 121 N 3.26 6.56 -0.15 3.58 -1.08 -0.04 -1.27 116.67 127.54 3gsy s ASP 121 Ca 0.05 0.67 0.15 0.00 -0.52 0.00 0.00 52.55 52.90 3gsy s ASP 121 Cb -0.27 -2.28 0.69 0.00 -1.46 0.00 0.00 42.92 39.60 3gsy s ASP 121 CO 0.05 -0.12 1.57 0.18 0.52 0.00 0.00 175.17 177.37 3gsy n LEU 122 N 4.50 4.73 0.30 -1.34 4.77 0.04 -4.10 117.00 125.90 3gsy n LEU 122 Ca -0.06 -2.39 0.18 0.00 -0.03 0.00 0.00 56.01 53.71 3gsy n LEU 122 Cb 0.51 -0.60 0.97 0.00 -2.33 0.00 0.00 43.42 41.96 3gsy n LEU 122 CO 0.42 0.67 1.10 0.00 -1.33 0.00 0.00 177.39 178.25 3gsy h MET 123 N 3.63 0.00 -0.00 3.23 -0.00 -1.82 0.15 114.93 120.12 3gsy h MET 123 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3gsy h MET 123 Cb 1.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.15 3gsy h MET 123 CO 0.31 0.03 -0.18 0.09 -0.00 0.00 0.00 176.91 177.16 3gsy n ASN 124 N -3.43 0.18 -3.84 -0.10 3.02 -1.26 -4.11 115.26 105.73 3gsy n ASN 124 Ca -0.02 0.22 -0.42 0.00 -0.03 0.00 0.00 54.58 54.33 3gsy n ASN 124 Cb 0.14 -0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.09 3gsy n ASN 124 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gsy n LEU 125 N -1.50 6.85 -1.09 3.41 4.77 0.04 -4.69 117.00 124.80 3gsy n LEU 125 Ca 0.06 -5.06 -0.00 0.00 -0.03 0.00 0.00 56.01 50.98 3gsy n LEU 125 Cb 0.34 -1.32 0.14 0.00 -2.33 0.00 0.00 43.42 40.25 3gsy n LEU 125 CO 0.30 1.72 0.27 -0.46 -1.33 0.00 0.00 177.39 177.89 3gsy n ASN 126 N 1.79 2.22 -4.74 -1.43 6.94 -1.26 -0.35 115.26 118.42 3gsy n ASN 126 Ca 0.37 -3.54 -0.41 0.00 -0.02 0.00 0.00 54.58 50.99 3gsy n ASN 126 Cb 0.32 -0.46 -0.05 0.00 -2.36 0.00 0.00 39.78 37.23 3gsy n ASN 126 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3gsy s ARG 127 N -2.88 4.65 -0.12 -3.83 0.52 -1.26 -4.72 118.95 111.30 3gsy s ARG 127 Ca 0.39 1.33 0.02 0.00 -0.52 0.00 0.00 55.73 56.96 3gsy s ARG 127 Cb 0.38 -3.36 -0.00 0.00 0.52 0.00 0.00 34.95 32.49 3gsy s ARG 127 CO -0.06 0.28 -0.20 0.08 0.02 0.00 0.00 175.30 175.41 3gsy s VAL 128 N -0.17 2.33 -0.27 3.52 1.01 -1.26 -1.03 120.40 124.53 3gsy s VAL 128 Ca 0.43 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3gsy s VAL 128 Cb -0.23 -1.93 0.07 0.00 0.00 0.00 0.00 36.38 34.29 3gsy s VAL 128 CO 0.28 0.54 -0.08 -0.44 0.00 0.00 0.00 175.10 175.41 3gsy s SER 129 N 0.50 4.41 -0.12 3.32 0.01 0.22 -5.00 113.70 117.05 3gsy s SER 129 Ca -0.13 -1.49 -0.14 0.00 1.31 0.00 0.00 55.95 55.50 3gsy s SER 129 Cb -0.17 -1.50 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 3gsy s SER 129 CO 0.05 -0.23 0.32 -0.63 0.41 0.00 0.00 173.24 173.16 3gsy s ILE 130 N 1.12 5.26 -0.40 1.44 1.01 -1.26 -1.23 121.20 127.12 3gsy s ILE 130 Ca -0.05 0.62 -0.04 0.00 0.00 0.00 0.00 60.65 61.18 3gsy s ILE 130 Cb -0.20 -3.65 0.10 0.00 0.01 0.00 0.00 42.46 38.73 3gsy s ILE 130 CO -0.06 0.44 0.20 -0.62 0.00 0.00 0.00 174.94 174.91 3gsy s ASP 131 N 0.02 5.30 0.44 3.58 -1.08 0.05 -4.95 116.67 120.03 3gsy s ASP 131 Ca 0.19 -1.88 0.29 0.00 -0.52 0.00 0.00 52.55 50.62 3gsy s ASP 131 Cb -0.14 -1.85 1.06 0.00 -1.46 0.00 0.00 42.92 40.53 3gsy s ASP 131 CO 0.06 -0.53 1.84 -0.07 0.52 0.00 0.00 175.17 177.00 3gsy h LEU 132 N 8.12 0.00 -0.28 -1.34 3.38 -1.97 0.23 115.31 123.45 3gsy h LEU 132 Ca -0.16 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.62 3gsy h LEU 132 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3gsy h LEU 132 CO 0.70 0.00 -0.88 -0.33 0.09 0.00 0.00 178.44 178.03 3gsy h GLU 133 N 0.00 0.14 -0.00 1.13 4.39 -1.94 -3.26 114.58 115.03 3gsy h GLU 133 Ca 0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3gsy h GLU 133 Cb 0.58 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3gsy h GLU 133 CO 0.00 0.93 -0.62 -1.13 -1.16 0.00 0.00 179.01 177.03 3gsy n SER 134 N -3.62 0.85 -3.66 1.42 3.41 -1.15 -5.01 113.62 105.86 3gsy n SER 134 Ca -0.03 -0.93 -0.22 0.00 -0.26 0.00 0.00 58.87 57.44 3gsy n SER 134 Cb 0.81 0.90 0.04 0.00 -0.26 0.00 0.00 64.21 65.70 3gsy n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gsy n GLU 135 N -1.12 -4.46 -4.30 4.33 1.02 0.78 -4.92 120.64 111.97 3gsy n GLU 135 Ca 0.03 0.63 -0.16 0.00 -0.02 0.00 0.00 57.16 57.65 3gsy n GLU 135 Cb 0.24 -5.15 -0.10 0.00 -0.02 0.00 0.00 31.44 26.42 3gsy n GLU 135 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3gsy s THR 136 N -3.63 0.62 -0.03 2.62 -4.23 -1.04 -1.17 115.64 108.78 3gsy s THR 136 Ca 0.07 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 3gsy s THR 136 Cb -0.02 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.34 3gsy s THR 136 CO 0.81 -0.14 0.13 0.00 -0.54 0.00 0.00 174.62 174.88 3gsy s ALA 137 N -3.71 -0.31 -0.20 3.99 0.00 -0.48 -0.77 121.76 120.28 3gsy s ALA 137 Ca 0.34 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 3gsy s ALA 137 Cb 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3gsy s ALA 137 CO 0.11 -0.13 0.23 -1.58 0.00 0.00 0.00 175.76 174.39 3gsy s TRP 138 N -0.59 3.40 -0.23 0.00 0.52 -0.37 -0.80 118.94 120.87 3gsy s TRP 138 Ca -0.07 0.43 0.01 0.00 0.02 0.00 0.00 56.10 56.49 3gsy s TRP 138 Cb -0.04 -2.29 0.06 0.00 -1.15 0.00 0.00 33.47 30.04 3gsy s TRP 138 CO 0.01 0.18 -0.05 0.08 0.02 0.00 0.00 176.95 177.18 3gsy s VAL 139 N 0.69 1.48 0.51 4.03 1.01 0.78 -0.61 120.40 128.29 3gsy s VAL 139 Ca 0.12 -1.17 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 3gsy s VAL 139 Cb -0.13 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 3gsy s VAL 139 CO 0.03 -0.09 1.36 -1.61 0.00 0.00 0.00 175.10 174.79 3gsy s GLU 140 N 1.42 3.37 0.00 2.72 2.02 -0.20 -0.72 118.70 127.31 3gsy s GLU 140 Ca -0.05 2.26 0.23 0.00 0.02 0.00 0.00 54.97 57.42 3gsy s GLU 140 Cb -0.19 -2.40 1.03 0.00 0.10 0.00 0.00 34.13 32.68 3gsy s GLU 140 CO -0.06 -1.02 1.73 -1.13 0.02 0.00 0.00 175.26 174.80 3gsy n SER 141 N -0.71 0.00 -0.01 -0.19 3.41 -0.23 -1.32 113.62 114.57 3gsy n SER 141 Ca 0.08 0.30 0.14 0.00 -0.26 0.00 0.00 58.87 59.13 3gsy n SER 141 Cb 0.44 -0.42 0.55 0.00 -0.26 0.00 0.00 64.21 64.52 3gsy n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gsy n GLY 142 N 0.77 -1.40 3.76 5.00 0.00 0.52 -1.81 105.19 112.03 3gsy n GLY 142 Ca 0.07 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3gsy n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gsy s SER 143 N -2.94 6.69 0.60 1.61 0.01 -0.43 -4.71 113.70 114.53 3gsy s SER 143 Ca 0.15 2.73 -0.05 0.00 1.31 0.00 0.00 55.95 60.08 3gsy s SER 143 Cb 0.19 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.79 3gsy s SER 143 CO 0.56 -0.61 0.90 0.42 0.41 0.00 0.00 173.24 174.92 3gsy s THR 144 N -0.87 3.41 0.21 1.44 -4.23 -1.26 -0.35 115.64 114.00 3gsy s THR 144 Ca 0.52 -0.09 -0.09 0.00 -1.18 0.00 0.00 61.69 60.84 3gsy s THR 144 Cb -0.41 -3.36 0.16 0.00 1.34 0.00 0.00 72.50 70.23 3gsy s THR 144 CO 0.52 -0.37 1.87 -0.07 -0.54 0.00 0.00 174.62 176.03 3gsy h LEU 145 N -0.21 0.81 -0.53 4.79 3.38 -0.59 -1.45 115.31 121.52 3gsy h LEU 145 Ca -0.45 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3gsy h LEU 145 Cb 1.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 3gsy h LEU 145 CO 0.60 0.57 0.30 1.23 0.09 0.00 0.00 178.44 181.23 3gsy h GLY 146 N 0.96 0.79 0.93 0.83 0.00 -1.05 0.13 103.07 105.67 3gsy h GLY 146 Ca 0.29 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.29 3gsy h GLY 146 CO -0.09 0.34 0.51 0.83 0.00 0.00 0.00 176.54 178.13 3gsy h GLU 147 N 0.71 0.99 -0.02 4.80 5.08 -1.26 0.31 114.58 125.19 3gsy h GLU 147 Ca 0.19 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3gsy h GLU 147 Cb 0.04 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3gsy h GLU 147 CO -0.03 0.66 0.01 1.25 -1.00 0.00 0.00 179.01 179.90 3gsy h LEU 148 N 1.02 0.03 -0.89 1.33 5.85 -0.74 -1.35 115.31 120.56 3gsy h LEU 148 Ca 0.30 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3gsy h LEU 148 Cb -0.05 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3gsy h LEU 148 CO -0.09 0.16 0.56 1.88 -0.34 0.00 0.00 178.44 180.61 3gsy h TYR 149 N -0.10 1.15 -0.38 1.25 0.05 -0.47 -1.18 116.97 117.29 3gsy h TYR 149 Ca 0.01 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 3gsy h TYR 149 Cb 0.14 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 3gsy h TYR 149 CO -0.03 0.75 0.17 -0.92 -1.05 0.00 0.00 178.16 177.09 3gsy h TYR 150 N 1.22 0.56 -0.86 4.88 3.20 -0.84 -1.22 116.97 123.92 3gsy h TYR 150 Ca 0.32 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.17 3gsy h TYR 150 Cb -0.09 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 3gsy h TYR 150 CO -0.00 0.48 0.56 0.00 -1.64 0.00 0.00 178.16 177.57 3gsy h ALA 151 N 1.02 1.08 -0.00 1.82 0.00 -0.80 -0.97 119.26 121.42 3gsy h ALA 151 Ca 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gsy h ALA 151 Cb 0.14 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3gsy h ALA 151 CO -0.01 0.50 0.00 0.82 0.00 0.00 0.00 179.25 180.55 3gsy h ILE 152 N 1.16 1.22 -0.56 0.00 2.04 -0.97 -2.61 117.51 117.80 3gsy h ILE 152 Ca 0.31 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3gsy h ILE 152 Cb -0.13 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3gsy h ILE 152 CO -0.07 0.17 0.37 0.71 0.00 0.00 0.00 178.15 179.33 3gsy h THR 153 N -0.28 1.11 -0.06 -0.27 1.35 -1.02 -0.93 112.91 112.81 3gsy h THR 153 Ca 0.00 -0.24 -0.07 0.00 -0.55 0.00 0.00 66.41 65.55 3gsy h THR 153 Cb 0.28 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 3gsy h THR 153 CO 0.00 0.13 -0.28 -0.33 -0.25 0.00 0.00 175.52 174.79 3gsy h GLU 154 N 0.70 0.11 0.00 4.72 4.39 -1.03 -3.22 114.58 120.26 3gsy h GLU 154 Ca 0.21 -0.04 -0.23 0.00 0.34 0.00 0.00 59.36 59.65 3gsy h GLU 154 Cb -0.01 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 3gsy h GLU 154 CO -0.05 0.38 -1.37 0.66 -1.16 0.00 0.00 179.01 177.48 3gsy h SER 155 N 0.10 0.00 -4.32 1.42 4.64 -0.82 -3.48 113.55 111.09 3gsy h SER 155 Ca 0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 3gsy h SER 155 Cb 0.55 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.43 3gsy h SER 155 CO 0.04 0.87 0.12 -0.55 -0.87 0.00 0.00 176.83 176.44 3gsy s SER 156 N -6.21 -0.69 0.00 4.97 0.15 -0.72 -5.02 113.70 106.17 3gsy s SER 156 Ca -0.02 1.16 0.27 0.00 0.70 0.00 0.00 55.95 58.06 3gsy s SER 156 Cb 0.09 1.12 0.83 0.00 -1.71 0.00 0.00 66.02 66.35 3gsy s SER 156 CO 0.81 -0.36 1.62 -1.54 1.20 0.00 0.00 173.24 174.97 3gsy n SER 157 N 2.12 1.61 -0.05 5.45 3.41 -1.26 -4.23 113.62 120.67 3gsy n SER 157 Ca -0.16 -1.43 0.02 0.00 -0.26 0.00 0.00 58.87 57.05 3gsy n SER 157 Cb 0.56 0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.59 3gsy n SER 157 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gsy n LYS 158 N 0.14 2.01 -4.42 4.33 5.02 -1.26 -4.10 118.16 119.87 3gsy n LYS 158 Ca 0.16 -1.59 -0.24 0.00 -2.02 0.00 0.00 58.31 54.62 3gsy n LYS 158 Cb 0.39 -1.02 -0.13 0.00 -0.02 0.00 0.00 35.03 34.25 3gsy n LYS 158 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gsy s LEU 159 N -1.26 2.23 0.00 -0.35 1.43 -1.26 -1.72 118.68 117.76 3gsy s LEU 159 Ca 0.08 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3gsy s LEU 159 Cb 0.07 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.42 3gsy s LEU 159 CO 0.01 0.09 0.03 0.61 0.23 0.00 0.00 176.35 177.31 3gsy n GLY 160 N 1.48 3.17 3.26 -3.19 0.00 0.47 -4.71 105.19 105.68 3gsy n GLY 160 Ca -0.19 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 3gsy n GLY 160 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gsy s PHE 161 N -4.63 -0.25 -0.37 1.61 5.36 -1.26 -1.20 117.98 117.25 3gsy s PHE 161 Ca 0.02 0.43 -0.18 0.00 -0.96 0.00 0.00 56.93 56.24 3gsy s PHE 161 Cb -0.00 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.81 3gsy s PHE 161 CO 0.01 -0.38 0.48 -0.08 -1.46 0.00 0.00 175.22 173.80 3gsy s THR 162 N -1.10 5.04 0.00 0.12 -1.32 -1.26 -4.97 115.64 112.14 3gsy s THR 162 Ca -0.11 0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 3gsy s THR 162 Cb -0.04 -3.97 0.00 0.00 -1.51 0.00 0.00 72.50 66.97 3gsy s THR 162 CO 0.04 -0.26 0.00 0.00 -2.21 0.00 0.00 174.62 172.19 3gsy n ALA 163 N 5.70 0.00 -0.85 11.08 0.00 -1.26 -2.72 120.51 132.46 3gsy n ALA 163 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 3gsy n ALA 163 Cb 0.49 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.16 3gsy n ALA 163 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gsy s GLY 164 N -0.96 1.54 -0.03 0.00 0.00 -1.24 -3.53 107.32 103.10 3gsy s GLY 164 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 3gsy s GLY 164 CO 0.00 0.31 0.72 -0.25 0.00 0.00 0.00 173.10 173.89 3gsy h TRP 165 N -2.45 0.41 -3.04 1.90 7.01 -1.97 -3.46 115.95 114.36 3gsy h TRP 165 Ca -0.56 -0.30 -0.57 0.00 2.11 0.00 0.00 58.89 59.57 3gsy h TRP 165 Cb 1.33 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 28.32 3gsy h TRP 165 CO -0.39 1.42 0.87 0.00 -2.79 0.00 0.00 178.44 177.55 3gsy h PRO 167 N 8.04 0.00 -0.03 0.00 0.13 -1.96 -3.04 132.00 135.14 3gsy h PRO 167 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3gsy h PRO 167 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3gsy h PRO 167 CO 0.99 0.13 0.00 0.25 -0.23 0.00 0.00 178.00 179.13 3gsy n THR 168 N -3.32 0.02 -2.05 1.56 -2.24 -1.26 -0.63 114.28 106.36 3gsy n THR 168 Ca -0.00 -0.34 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 3gsy n THR 168 Cb 0.35 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.35 3gsy n THR 168 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gsy s VAL 169 N -1.98 2.60 0.22 2.28 1.01 -1.15 -4.77 120.40 118.61 3gsy s VAL 169 Ca 0.35 0.58 -0.22 0.00 0.00 0.00 0.00 61.98 62.69 3gsy s VAL 169 Cb 0.21 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 3gsy s VAL 169 CO 0.32 0.13 0.76 -0.83 0.00 0.00 0.00 175.10 175.48 3gsy s GLY 170 N -0.25 2.71 0.47 4.51 0.00 -1.26 -0.17 107.32 113.33 3gsy s GLY 170 Ca 0.52 0.26 0.22 0.00 0.00 0.00 0.00 44.72 45.71 3gsy s GLY 170 CO 0.52 0.66 1.97 -0.91 0.00 0.00 0.00 173.10 175.35 3gsy h THR 171 N 2.87 0.80 0.49 0.90 1.35 -0.84 -2.12 112.91 116.36 3gsy h THR 171 Ca -0.48 -0.80 -0.02 0.00 -0.55 0.00 0.00 66.41 64.57 3gsy h THR 171 Cb 1.20 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 3gsy h THR 171 CO 0.65 0.20 -0.34 1.23 -0.25 0.00 0.00 175.52 177.01 3gsy h GLY 172 N 1.02 -0.88 1.14 5.82 0.00 -1.58 -1.84 103.07 106.77 3gsy h GLY 172 Ca -0.00 0.38 -0.24 0.00 0.00 0.00 0.00 47.33 47.47 3gsy h GLY 172 CO 0.03 -0.32 -0.92 -1.33 0.00 0.00 0.00 176.54 174.00 3gsy h GLY 173 N -0.81 0.76 0.73 4.60 0.00 -1.85 -3.22 103.07 103.29 3gsy h GLY 173 Ca -0.05 -1.27 -0.01 0.00 0.00 0.00 0.00 47.33 45.99 3gsy h GLY 173 CO 0.03 1.13 -0.10 0.84 0.00 0.00 0.00 176.54 178.44 3gsy h HIS 174 N 0.36 -0.26 -0.18 5.60 6.17 -1.36 -1.94 115.15 123.54 3gsy h HIS 174 Ca -0.11 -0.01 -0.10 0.00 0.71 0.00 0.00 60.37 60.87 3gsy h HIS 174 Cb 1.58 0.08 -0.01 0.00 2.52 0.00 0.00 27.41 31.58 3gsy h HIS 174 CO 0.11 0.04 -0.33 0.82 0.71 0.00 0.00 177.93 179.28 3gsy h ILE 175 N -0.55 1.28 -0.00 6.26 2.04 -1.52 -2.21 117.51 122.81 3gsy h ILE 175 Ca -0.03 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3gsy h ILE 175 Cb 0.41 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3gsy h ILE 175 CO 0.05 0.42 0.00 0.28 0.00 0.00 0.00 178.15 178.90 3gsy h SER 176 N 0.32 0.00 -0.17 1.72 0.02 -1.51 -2.23 113.55 111.70 3gsy h SER 176 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3gsy h SER 176 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3gsy h SER 176 CO 0.06 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 3gsy n GLY 177 N -1.47 1.26 0.00 -3.77 0.00 -0.75 -0.69 105.19 99.77 3gsy n GLY 177 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3gsy n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gsy n GLY 178 N 1.39 1.90 0.00 -0.02 0.00 -0.84 -4.29 105.19 103.34 3gsy n GLY 178 Ca 0.16 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3gsy n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gsy n GLY 179 N 0.00 0.40 3.69 -0.02 0.00 -1.22 -1.33 105.19 106.71 3gsy n GLY 179 Ca 0.00 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 3gsy n GLY 179 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gsy s PHE 180 N 0.00 3.20 0.00 1.61 5.36 -1.26 -0.88 117.98 126.02 3gsy s PHE 180 Ca 0.00 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 3gsy s PHE 180 Cb 0.00 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 3gsy s PHE 180 CO 0.00 0.44 0.00 0.41 -1.46 0.00 0.00 175.22 174.61 3gsy n GLY 181 N 2.32 3.11 0.17 13.12 0.00 -1.23 -3.69 105.19 118.99 3gsy n GLY 181 Ca -0.19 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 44.93 3gsy n GLY 181 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3gsy h MET 182 N 0.00 0.00 -0.42 1.61 2.86 -1.90 -1.59 114.93 115.48 3gsy h MET 182 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gsy h MET 182 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3gsy h MET 182 CO 0.00 0.00 0.00 -1.33 1.06 0.00 0.00 176.91 176.64 3gsy n MET 183 N -2.40 2.91 0.22 1.72 2.81 -1.26 -4.63 117.12 116.49 3gsy n MET 183 Ca 0.01 -2.28 0.09 0.00 -1.81 0.00 0.00 57.70 53.71 3gsy n MET 183 Cb 0.18 -1.41 0.49 0.00 -0.71 0.00 0.00 33.22 31.78 3gsy n MET 183 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3gsy h SER 184 N 2.50 0.00 0.92 7.83 0.02 -1.43 -0.31 113.55 123.08 3gsy h SER 184 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gsy h SER 184 Cb 0.89 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 3gsy h SER 184 CO 0.04 0.24 -0.02 0.03 -1.14 0.00 0.00 176.83 175.97 3gsy h ARG 185 N 0.00 0.00 0.05 3.45 3.08 -1.82 0.20 114.38 119.34 3gsy h ARG 185 Ca -0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 3gsy h ARG 185 Cb 0.67 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.68 3gsy h ARG 185 CO 0.03 0.02 -2.25 1.17 -1.07 0.00 0.00 179.97 177.87 3gsy n LYS 186 N -3.13 0.70 0.00 0.04 3.00 -0.73 -0.10 118.16 117.93 3gsy n LYS 186 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 3gsy n LYS 186 Cb 0.29 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.72 3gsy n LYS 186 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3gsy n TYR 187 N -3.31 0.00 -4.01 5.64 4.01 -0.20 -4.71 117.16 114.58 3gsy n TYR 187 Ca -0.39 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 3gsy n TYR 187 Cb 1.02 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 3gsy n TYR 187 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gsy n GLY 188 N -0.03 -1.45 3.90 2.72 0.00 0.71 -4.83 105.19 106.21 3gsy n GLY 188 Ca 0.00 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 3gsy n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gsy s LEU 189 N 0.00 3.30 0.23 0.99 1.43 -1.26 -4.08 118.68 119.28 3gsy s LEU 189 Ca 0.00 1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 54.08 3gsy s LEU 189 Cb 0.00 -3.97 0.40 0.00 0.03 0.00 0.00 46.19 42.66 3gsy s LEU 189 CO 0.00 -0.91 1.72 0.00 0.23 0.00 0.00 176.35 177.39 3gsy h ALA 190 N -0.17 0.93 0.00 4.21 0.00 -0.80 -1.47 119.26 121.96 3gsy h ALA 190 Ca -0.45 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3gsy h ALA 190 Cb 1.22 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3gsy h ALA 190 CO 0.62 -0.26 -0.06 0.00 0.00 0.00 0.00 179.25 179.55 3gsy h ALA 191 N 1.53 1.14 0.00 0.00 0.00 -1.45 -1.05 119.26 119.43 3gsy h ALA 191 Ca 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3gsy h ALA 191 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3gsy h ALA 191 CO -0.41 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 178.66 3gsy n ASP 192 N -3.37 0.00 -0.34 0.00 8.00 -0.55 -3.25 116.55 117.04 3gsy n ASP 192 Ca -0.02 0.29 0.07 0.00 0.71 0.00 0.00 54.79 55.85 3gsy n ASP 192 Cb 0.21 -0.41 0.13 0.00 -0.02 0.00 0.00 41.12 41.03 3gsy n ASP 192 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gsy n ASN 193 N -1.41 1.80 -4.73 -2.24 3.02 -0.40 -4.97 115.26 106.34 3gsy n ASN 193 Ca 0.07 -3.08 -0.37 0.00 -0.03 0.00 0.00 54.58 51.18 3gsy n ASN 193 Cb 0.20 -0.42 -0.07 0.00 -0.61 0.00 0.00 39.78 38.88 3gsy n ASN 193 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gsy s VAL 194 N -2.41 5.29 -0.13 2.41 1.01 -1.20 -1.12 120.40 124.25 3gsy s VAL 194 Ca 0.29 0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.93 3gsy s VAL 194 Cb 0.27 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 3gsy s VAL 194 CO -0.01 0.38 0.19 1.33 0.00 0.00 0.00 175.10 176.99 3gsy n VAL 195 N 3.60 0.00 -3.88 2.92 0.24 0.54 -4.96 118.33 116.79 3gsy n VAL 195 Ca -0.11 -0.24 -0.08 0.00 -2.04 0.00 0.00 64.34 61.87 3gsy n VAL 195 Cb 0.52 0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 33.52 3gsy n VAL 195 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gsy s ASP 196 N -2.20 -0.15 -0.03 -1.34 -1.08 -1.13 -4.98 116.67 105.77 3gsy s ASP 196 Ca -0.00 -0.79 -0.29 0.00 -0.52 0.00 0.00 52.55 50.95 3gsy s ASP 196 Cb 0.04 0.72 0.10 0.00 -1.46 0.00 0.00 42.92 42.33 3gsy s ASP 196 CO 0.25 -1.37 0.86 0.00 0.52 0.00 0.00 175.17 175.44 3gsy s ALA 197 N -3.63 -1.82 -0.26 3.66 0.00 -1.26 -0.74 121.76 117.71 3gsy s ALA 197 Ca 0.14 1.13 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 3gsy s ALA 197 Cb -0.05 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3gsy s ALA 197 CO 0.09 -0.57 -0.01 0.42 0.00 0.00 0.00 175.76 175.69 3gsy s ILE 198 N -2.51 3.42 -0.14 0.00 -1.09 -0.20 -3.06 121.20 117.62 3gsy s ILE 198 Ca 0.01 -0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 57.67 3gsy s ILE 198 Cb -0.01 -2.69 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 3gsy s ILE 198 CO -0.05 0.23 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.63 3gsy s LEU 199 N 1.44 3.24 -0.32 2.97 2.96 0.41 -0.23 118.68 129.14 3gsy s LEU 199 Ca 0.03 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 3gsy s LEU 199 Cb -0.16 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 3gsy s LEU 199 CO -0.02 0.21 0.22 -0.63 -1.32 0.00 0.00 176.35 174.81 3gsy s ILE 200 N 0.14 5.24 0.56 6.68 -1.09 0.44 -1.07 121.20 132.11 3gsy s ILE 200 Ca -0.01 -0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.21 3gsy s ILE 200 Cb -0.14 -3.65 0.12 0.00 -1.58 0.00 0.00 42.46 37.22 3gsy s ILE 200 CO 0.03 0.05 0.77 -0.90 -1.23 0.00 0.00 174.94 173.66 3gsy n ASP 201 N 5.09 0.53 0.25 3.58 5.68 -0.87 -1.02 116.55 129.79 3gsy n ASP 201 Ca -0.13 -1.57 0.17 0.00 -0.50 0.00 0.00 54.79 52.76 3gsy n ASP 201 Cb 0.50 -0.55 0.89 0.00 -1.14 0.00 0.00 41.12 40.83 3gsy n ASP 201 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gsy h ALA 202 N -1.14 1.62 -0.38 2.12 0.00 -1.85 -0.18 119.26 119.44 3gsy h ALA 202 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gsy h ALA 202 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3gsy h ALA 202 CO 0.22 -0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3gsy n ASN 203 N -3.69 3.33 0.00 0.00 3.02 -1.26 -4.77 115.26 111.89 3gsy n ASN 203 Ca -0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3gsy n ASN 203 Cb 0.23 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3gsy n ASN 203 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gsy n GLY 204 N 1.48 0.55 3.76 7.41 0.00 -0.08 -4.82 105.19 113.50 3gsy n GLY 204 Ca 0.19 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3gsy n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gsy s ALA 205 N -2.00 2.87 -0.43 4.61 0.00 -1.26 -4.73 121.76 120.82 3gsy s ALA 205 Ca 0.00 1.17 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 3gsy s ALA 205 Cb 0.00 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.71 3gsy s ALA 205 CO 0.00 -1.10 0.28 0.42 0.00 0.00 0.00 175.76 175.36 3gsy s ILE 206 N -1.40 4.22 -0.17 0.00 1.01 -1.26 -2.05 121.20 121.54 3gsy s ILE 206 Ca 0.69 -1.49 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 3gsy s ILE 206 Cb -0.36 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3gsy s ILE 206 CO 0.42 -0.57 -0.14 -0.76 0.00 0.00 0.00 174.94 173.90 3gsy s LEU 207 N 1.41 2.51 0.00 2.97 1.43 -0.23 -4.96 118.68 121.81 3gsy s LEU 207 Ca 0.04 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3gsy s LEU 207 Cb -0.24 -1.59 0.12 0.00 0.03 0.00 0.00 46.19 44.51 3gsy s LEU 207 CO 0.01 0.05 0.75 -0.90 0.23 0.00 0.00 176.35 176.49 3gsy n ASP 208 N 4.31 0.60 -0.15 2.29 5.68 -1.26 -0.44 116.55 127.58 3gsy n ASP 208 Ca -0.19 -1.60 -0.03 0.00 -0.50 0.00 0.00 54.79 52.47 3gsy n ASP 208 Cb 0.51 -0.52 0.05 0.00 -1.14 0.00 0.00 41.12 40.02 3gsy n ASP 208 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3gsy h ARG 209 N 0.00 0.12 -0.98 0.11 2.43 -1.92 -0.79 114.38 113.34 3gsy h ARG 209 Ca -0.24 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.96 3gsy h ARG 209 Cb 0.81 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 3gsy h ARG 209 CO 0.22 0.08 0.64 1.96 -1.51 0.00 0.00 179.97 181.36 3gsy h GLN 210 N 0.12 1.18 -0.10 0.20 1.08 -1.92 -1.96 115.11 113.70 3gsy h GLN 210 Ca 0.23 -0.07 -0.23 0.00 -1.45 0.00 0.00 58.65 57.13 3gsy h GLN 210 Cb 0.35 -0.27 0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3gsy h GLN 210 CO -0.38 0.78 -0.85 0.00 -0.95 0.00 0.00 178.83 177.42 3gsy h ALA 211 N 1.42 0.29 0.00 3.87 0.00 -1.69 -3.27 119.26 119.88 3gsy h ALA 211 Ca 0.40 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3gsy h ALA 211 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gsy h ALA 211 CO -0.14 0.70 -0.47 0.00 0.00 0.00 0.00 179.25 179.34 3gsy h MET 212 N 0.47 0.00 0.00 0.00 -0.00 -1.06 -3.48 114.93 110.86 3gsy h MET 212 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 3gsy h MET 212 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.08 3gsy h MET 212 CO 0.17 0.47 0.00 0.41 -0.00 0.00 0.00 176.91 177.96 3gsy n GLY 213 N 0.98 -0.35 0.19 -3.00 0.00 -0.75 -4.34 105.19 97.92 3gsy n GLY 213 Ca 0.01 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.31 3gsy n GLY 213 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gsy h GLU 214 N 0.00 0.21 -0.29 1.61 4.39 -1.91 -1.02 114.58 117.57 3gsy h GLU 214 Ca 0.00 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3gsy h GLU 214 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3gsy h GLU 214 CO 0.00 0.64 0.03 -0.44 -1.16 0.00 0.00 179.01 178.08 3gsy h ASP 215 N 0.17 0.48 -0.20 1.42 3.32 -1.98 -0.58 116.42 119.06 3gsy h ASP 215 Ca 0.01 -0.28 -0.15 0.00 0.02 0.00 0.00 57.03 56.63 3gsy h ASP 215 Cb 0.89 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3gsy h ASP 215 CO 0.07 0.64 -0.41 0.58 -1.72 0.00 0.00 179.24 178.40 3gsy h VAL 216 N 0.30 1.29 -0.13 -1.35 2.07 -1.73 -0.33 116.25 116.37 3gsy h VAL 216 Ca 0.09 -1.59 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 3gsy h VAL 216 Cb 0.37 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3gsy h VAL 216 CO 0.01 0.51 -0.18 0.15 0.02 0.00 0.00 177.57 178.08 3gsy h PHE 217 N 0.60 0.22 -0.05 1.57 3.57 -1.13 -1.32 116.94 120.40 3gsy h PHE 217 Ca 0.05 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3gsy h PHE 217 Cb 0.96 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 3gsy h PHE 217 CO 0.05 0.39 -0.02 2.35 -2.23 0.00 0.00 178.31 178.85 3gsy h TRP 218 N 0.20 0.12 -0.91 0.41 7.01 -0.92 -3.30 115.95 118.56 3gsy h TRP 218 Ca 0.04 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.04 3gsy h TRP 218 Cb 0.44 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.42 3gsy h TRP 218 CO 0.01 0.48 0.59 0.00 -2.79 0.00 0.00 178.44 176.72 3gsy h ALA 219 N 0.62 1.19 0.00 2.65 0.00 -0.41 -2.24 119.26 121.07 3gsy h ALA 219 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gsy h ALA 219 Cb 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3gsy h ALA 219 CO 0.01 0.45 0.00 -0.84 0.00 0.00 0.00 179.25 178.87 3gsy h ILE 220 N 1.15 0.00 -0.84 0.00 3.07 -1.37 0.77 117.51 120.29 3gsy h ILE 220 Ca 0.36 -0.43 -0.49 0.00 1.55 0.00 0.00 64.86 65.85 3gsy h ILE 220 Cb -0.01 1.36 -0.14 0.00 -0.27 0.00 0.00 36.82 37.76 3gsy h ILE 220 CO -0.12 0.00 0.72 0.54 -1.05 0.00 0.00 178.15 178.24 3gsy n ARG 221 N -2.85 2.74 0.00 0.16 1.74 -0.84 -4.27 116.66 113.34 3gsy n ARG 221 Ca 0.01 -2.27 0.00 0.00 -0.77 0.00 0.00 57.85 54.82 3gsy n ARG 221 Cb 0.28 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 3gsy n ARG 221 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gsy n GLY 222 N 1.42 0.55 0.00 -0.13 0.00 -0.77 -3.98 105.19 102.29 3gsy n GLY 222 Ca 0.51 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.65 3gsy n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gsy n GLY 223 N 0.00 -0.99 0.00 -0.02 0.00 0.26 -4.46 105.19 99.99 3gsy n GLY 223 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3gsy n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gsy n GLY 224 N 0.67 2.64 3.79 -0.02 0.00 0.13 -4.91 105.19 107.50 3gsy n GLY 224 Ca 0.13 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 3gsy n GLY 224 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gsy s GLY 225 N 0.00 1.95 -0.17 -0.02 0.00 -1.26 -4.15 107.32 103.67 3gsy s GLY 225 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.05 3gsy s GLY 225 CO 0.00 0.66 0.00 0.61 0.00 0.00 0.00 173.10 174.37 3gsy n GLY 226 N -1.15 0.46 0.00 0.20 0.00 -1.26 -4.90 105.19 98.53 3gsy n GLY 226 Ca 0.09 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3gsy n GLY 226 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gsy n VAL 227 N -3.19 0.00 0.24 1.61 0.31 -1.26 -3.35 118.33 112.69 3gsy n VAL 227 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.37 3gsy n VAL 227 Cb 0.16 -0.55 -0.08 0.00 -0.91 0.00 0.00 33.84 32.45 3gsy n VAL 227 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3gsy n TRP 228 N -1.51 0.00 0.00 3.52 7.02 -1.26 -4.65 117.44 120.56 3gsy n TRP 228 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3gsy n TRP 228 Cb 0.30 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 29.03 3gsy n TRP 228 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3gsy n GLY 229 N 1.57 0.83 3.41 6.99 0.00 -1.26 -4.71 105.19 112.02 3gsy n GLY 229 Ca -0.00 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 3gsy n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gsy s ALA 230 N -1.23 3.17 0.01 4.61 0.00 -0.19 -4.63 121.76 123.51 3gsy s ALA 230 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 3gsy s ALA 230 Cb 0.00 -2.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.84 3gsy s ALA 230 CO 0.00 -0.78 1.53 0.42 0.00 0.00 0.00 175.76 176.94 3gsy s ILE 231 N 1.58 3.46 -0.09 0.00 -1.09 -1.26 -0.42 121.20 123.38 3gsy s ILE 231 Ca 0.05 0.82 -0.17 0.00 -2.23 0.00 0.00 60.65 59.12 3gsy s ILE 231 Cb -0.16 -3.53 -0.28 0.00 -1.58 0.00 0.00 42.46 36.90 3gsy s ILE 231 CO 0.04 -0.02 0.64 0.22 -1.23 0.00 0.00 174.94 174.59 3gsy h TYR 232 N 8.33 0.49 -2.56 3.97 3.20 -0.97 -3.42 116.97 126.01 3gsy h TYR 232 Ca -0.39 -0.36 -0.08 0.00 3.14 0.00 0.00 58.73 61.04 3gsy h TYR 232 Cb 1.18 -0.02 -0.18 0.00 1.54 0.00 0.00 36.73 39.25 3gsy h TYR 232 CO 0.79 1.51 0.01 0.00 -1.64 0.00 0.00 178.16 178.83 3gsy s ALA 233 N -2.47 -1.34 -0.06 1.82 0.00 -1.19 -1.07 121.76 117.44 3gsy s ALA 233 Ca -0.18 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 3gsy s ALA 233 Cb 0.04 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 3gsy s ALA 233 CO 0.79 -0.39 -0.00 -1.58 0.00 0.00 0.00 175.76 174.57 3gsy s TRP 234 N -1.71 3.13 -0.29 0.00 0.52 0.10 -1.03 118.94 119.66 3gsy s TRP 234 Ca -0.09 0.16 -0.08 0.00 0.02 0.00 0.00 56.10 56.10 3gsy s TRP 234 Cb -0.02 -1.75 -0.01 0.00 -1.15 0.00 0.00 33.47 30.54 3gsy s TRP 234 CO 0.04 0.46 0.11 0.21 0.02 0.00 0.00 176.95 177.80 3gsy s LYS 235 N -1.06 3.34 0.15 4.98 2.20 0.08 -0.16 119.74 129.28 3gsy s LYS 235 Ca 0.15 -0.70 0.08 0.00 -0.36 0.00 0.00 55.97 55.14 3gsy s LYS 235 Cb -0.11 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 3gsy s LYS 235 CO 0.04 -0.37 -0.08 0.96 -0.36 0.00 0.00 175.35 175.54 3gsy s ILE 236 N 1.58 3.35 -0.18 5.43 -4.36 0.02 -0.34 121.20 126.69 3gsy s ILE 236 Ca 0.04 -1.46 -0.21 0.00 -0.26 0.00 0.00 60.65 58.76 3gsy s ILE 236 Cb -0.17 -2.62 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 3gsy s ILE 236 CO 0.05 -0.02 0.65 -0.75 0.24 0.00 0.00 174.94 175.11 3gsy s LYS 237 N -2.59 4.24 0.41 0.37 2.47 -0.28 -1.38 119.74 122.99 3gsy s LYS 237 Ca 0.24 0.67 -0.22 0.00 -1.56 0.00 0.00 55.97 55.09 3gsy s LYS 237 Cb -0.10 -3.57 -0.10 0.00 -1.46 0.00 0.00 37.83 32.61 3gsy s LYS 237 CO 0.15 -0.22 0.98 -0.51 0.16 0.00 0.00 175.35 175.91 3gsy s LEU 238 N 1.83 4.03 0.07 5.43 1.43 -0.32 -4.95 118.68 126.20 3gsy s LEU 238 Ca 0.30 1.81 0.10 0.00 -1.03 0.00 0.00 54.13 55.31 3gsy s LEU 238 Cb -0.16 -4.39 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 3gsy s LEU 238 CO 0.11 -0.40 -0.26 -0.76 0.23 0.00 0.00 176.35 175.27 3gsy s LEU 239 N -2.94 2.21 0.33 1.79 1.43 -0.34 -4.87 118.68 116.28 3gsy s LEU 239 Ca 0.60 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 3gsy s LEU 239 Cb -0.14 -1.26 -0.10 0.00 0.03 0.00 0.00 46.19 44.72 3gsy s LEU 239 CO 0.18 0.23 1.32 -2.84 0.23 0.00 0.00 176.35 175.47 3gsy s PRO 240 N -1.46 4.35 0.03 1.29 0.02 -1.26 -0.39 135.00 137.57 3gsy s PRO 240 Ca 0.12 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.38 3gsy s PRO 240 Cb -0.10 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 3gsy s PRO 240 CO 0.03 -0.20 -0.07 0.14 -0.33 0.00 0.00 177.00 176.57 3gsy s VAL 241 N -1.06 0.46 0.75 3.83 -7.23 -0.70 -4.76 120.40 111.69 3gsy s VAL 241 Ca 0.50 -0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 59.65 3gsy s VAL 241 Cb -0.40 -0.51 0.04 0.00 0.56 0.00 0.00 36.38 36.07 3gsy s VAL 241 CO 0.52 -0.30 1.10 -2.84 -0.31 0.00 0.00 175.10 173.27 3gsy s PRO 242 N -1.29 2.33 0.50 4.82 0.02 -1.26 -4.42 135.00 135.70 3gsy s PRO 242 Ca -0.08 1.28 0.23 0.00 0.02 0.00 0.00 61.00 62.45 3gsy s PRO 242 Cb -0.08 -1.90 1.33 0.00 0.02 0.00 0.00 34.50 33.86 3gsy s PRO 242 CO 0.00 -1.60 2.07 0.93 -0.33 0.00 0.00 177.00 178.07 3gsy h GLU 243 N -0.80 0.00 -4.58 5.54 5.08 -1.95 -3.40 114.58 114.48 3gsy h GLU 243 Ca -0.45 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.37 3gsy h GLU 243 Cb 1.24 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.15 3gsy h GLU 243 CO 0.51 0.13 -0.82 0.15 -1.00 0.00 0.00 179.01 177.98 3gsy s LYS 244 N -4.42 1.89 0.39 2.33 -0.14 -1.26 -4.17 119.74 114.36 3gsy s LYS 244 Ca -0.04 -0.45 0.08 0.00 -1.36 0.00 0.00 55.97 54.20 3gsy s LYS 244 Cb 0.14 -1.64 -0.04 0.00 -1.68 0.00 0.00 37.83 34.61 3gsy s LYS 244 CO 0.62 -0.06 0.21 0.14 -0.76 0.00 0.00 175.35 175.50 3gsy s VAL 245 N 0.98 2.57 -0.10 3.17 -7.23 0.47 -4.15 120.40 116.12 3gsy s VAL 245 Ca -0.08 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 3gsy s VAL 245 Cb -0.15 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 3gsy s VAL 245 CO -0.01 -0.05 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.63 3gsy s THR 246 N -2.53 2.37 0.11 5.32 2.01 -0.72 -1.43 115.64 120.78 3gsy s THR 246 Ca 0.42 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.53 3gsy s THR 246 Cb 0.01 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 3gsy s THR 246 CO 0.24 0.55 -0.09 0.68 -0.69 0.00 0.00 174.62 175.31 3gsy s VAL 247 N 0.19 0.96 0.03 3.82 -7.23 -0.15 -0.16 120.40 117.85 3gsy s VAL 247 Ca -0.12 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3gsy s VAL 247 Cb -0.16 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 3gsy s VAL 247 CO 0.07 -0.66 -0.04 0.72 -0.31 0.00 0.00 175.10 174.88 3gsy s PHE 248 N -2.86 0.36 -0.33 2.82 -0.12 -0.76 -1.20 117.98 115.89 3gsy s PHE 248 Ca 0.09 -0.60 -0.01 0.00 -0.05 0.00 0.00 56.93 56.36 3gsy s PHE 248 Cb -0.00 -0.25 0.13 0.00 -0.63 0.00 0.00 43.02 42.26 3gsy s PHE 248 CO -0.01 -0.20 0.20 0.50 -0.05 0.00 0.00 175.22 175.67 3gsy s ARG 249 N -1.84 0.41 -0.11 1.99 3.52 -1.25 -0.75 118.95 120.92 3gsy s ARG 249 Ca -0.12 -0.94 0.01 0.00 -0.13 0.00 0.00 55.73 54.55 3gsy s ARG 249 Cb -0.07 -1.16 0.02 0.00 -1.56 0.00 0.00 34.95 32.17 3gsy s ARG 249 CO -0.02 -1.13 -0.12 0.08 -0.81 0.00 0.00 175.30 173.30 3gsy s VAL 250 N 1.54 1.28 -0.25 7.11 1.01 -0.61 -4.95 120.40 125.52 3gsy s VAL 250 Ca 0.14 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 3gsy s VAL 250 Cb -0.19 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3gsy s VAL 250 CO -0.15 0.40 0.35 -0.89 0.00 0.00 0.00 175.10 174.82 3gsy s THR 251 N 1.32 5.20 -0.14 3.92 2.01 -1.26 -0.25 115.64 126.44 3gsy s THR 251 Ca -0.01 0.55 -0.17 0.00 0.31 0.00 0.00 61.69 62.37 3gsy s THR 251 Cb -0.14 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3gsy s THR 251 CO -0.05 0.19 0.44 -0.54 -0.69 0.00 0.00 174.62 173.97 3gsy s LYS 252 N 1.84 4.30 -0.39 4.92 -0.14 0.75 -4.92 119.74 126.09 3gsy s LYS 252 Ca 0.15 0.36 -0.08 0.00 -1.36 0.00 0.00 55.97 55.04 3gsy s LYS 252 Cb -0.15 -3.45 0.07 0.00 -1.68 0.00 0.00 37.83 32.61 3gsy s LYS 252 CO 0.09 0.13 0.20 -0.80 -0.76 0.00 0.00 175.35 174.21 3gsy s ASN 253 N 0.68 5.50 0.32 2.83 0.01 -1.26 -1.15 114.94 121.88 3gsy s ASN 253 Ca 0.23 -1.42 0.04 0.00 -0.71 0.00 0.00 52.86 51.01 3gsy s ASN 253 Cb -0.15 -1.94 -0.03 0.00 0.41 0.00 0.00 41.25 39.54 3gsy s ASN 253 CO 0.09 -0.47 0.20 0.68 -1.51 0.00 0.00 177.10 176.09 3gsy s VAL 254 N 1.40 0.21 0.49 1.60 -7.23 -0.43 -4.98 120.40 111.46 3gsy s VAL 254 Ca 0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 3gsy s VAL 254 Cb -0.22 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.28 3gsy s VAL 254 CO 0.02 0.00 0.67 0.00 -0.31 0.00 0.00 175.10 175.48 3gsy s ALA 255 N -3.55 4.48 0.30 1.32 0.00 -1.26 -1.24 121.76 121.81 3gsy s ALA 255 Ca 0.36 -1.77 0.02 0.00 0.00 0.00 0.00 51.96 50.57 3gsy s ALA 255 Cb 0.04 -1.64 0.49 0.00 0.00 0.00 0.00 23.12 22.00 3gsy s ALA 255 CO 0.20 -0.54 1.82 0.97 0.00 0.00 0.00 175.76 178.21 3gsy h ILE 256 N 0.41 1.22 0.02 0.00 2.10 -1.95 -0.84 117.51 118.47 3gsy h ILE 256 Ca -0.37 -0.93 0.02 0.00 1.08 0.00 0.00 64.86 64.66 3gsy h ILE 256 Cb 1.28 0.98 -0.02 0.00 -1.09 0.00 0.00 36.82 37.97 3gsy h ILE 256 CO 0.44 0.32 -0.11 -0.78 -1.08 0.00 0.00 178.15 176.94 3gsy h ASP 257 N 0.57 -0.30 -0.34 2.19 3.58 -1.98 0.67 116.42 120.81 3gsy h ASP 257 Ca 0.11 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.49 3gsy h ASP 257 Cb 0.42 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 3gsy h ASP 257 CO 0.02 -0.16 -0.24 -0.08 -2.88 0.00 0.00 179.24 175.90 3gsy h GLU 258 N -0.19 0.76 -0.98 0.28 4.81 -1.90 -2.45 114.58 114.92 3gsy h GLU 258 Ca 0.03 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3gsy h GLU 258 Cb 0.23 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 3gsy h GLU 258 CO -0.09 0.99 0.64 0.00 -0.73 0.00 0.00 179.01 179.82 3gsy h ALA 259 N 0.76 1.26 -0.29 2.92 0.00 -1.03 0.11 119.26 122.98 3gsy h ALA 259 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gsy h ALA 259 Cb 0.81 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gsy h ALA 259 CO 0.07 0.58 0.13 1.15 0.00 0.00 0.00 179.25 181.17 3gsy h THR 260 N 1.28 1.17 -0.07 0.00 2.02 -0.76 -0.27 112.91 116.28 3gsy h THR 260 Ca 0.37 -0.49 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 3gsy h THR 260 Cb -0.09 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3gsy h THR 260 CO -0.10 0.17 -0.40 0.77 0.37 0.00 0.00 175.52 176.33 3gsy h SER 261 N 0.32 0.15 -0.17 4.18 4.64 -1.02 -0.07 113.55 121.59 3gsy h SER 261 Ca 0.10 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3gsy h SER 261 Cb 0.15 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3gsy h SER 261 CO -0.01 0.54 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.39 3gsy h LEU 262 N 0.12 0.32 -0.62 5.97 3.38 -0.56 -2.13 115.31 121.79 3gsy h LEU 262 Ca 0.01 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 3gsy h LEU 262 Cb 0.77 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3gsy h LEU 262 CO 0.06 0.60 -0.31 -0.07 0.09 0.00 0.00 178.44 178.81 3gsy h LEU 263 N 0.03 0.78 -0.79 1.67 3.38 -0.86 0.15 115.31 119.67 3gsy h LEU 263 Ca 0.04 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3gsy h LEU 263 Cb 0.45 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3gsy h LEU 263 CO 0.01 1.03 0.20 -0.74 0.09 0.00 0.00 178.44 179.03 3gsy h HIS 264 N 0.64 1.14 -0.05 1.13 2.76 -1.01 -2.62 115.15 117.14 3gsy h HIS 264 Ca 0.07 -0.12 -0.24 0.00 -2.20 0.00 0.00 60.37 57.88 3gsy h HIS 264 Cb 0.83 -0.33 0.01 0.00 1.55 0.00 0.00 27.41 29.48 3gsy h HIS 264 CO 0.04 0.92 -0.92 -0.22 -1.30 0.00 0.00 177.93 176.44 3gsy h LYS 265 N 1.05 0.63 -0.88 5.26 3.64 -1.25 -3.29 116.57 121.72 3gsy h LYS 265 Ca 0.22 -0.62 0.19 0.00 -1.27 0.00 0.00 60.65 59.18 3gsy h LYS 265 Cb 0.33 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.20 3gsy h LYS 265 CO -0.00 1.22 0.42 2.35 -2.27 0.00 0.00 179.45 181.17 3gsy h TRP 266 N 0.38 0.71 -0.64 1.91 7.01 -0.37 -1.17 115.95 123.78 3gsy h TRP 266 Ca -0.09 0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.97 3gsy h TRP 266 Cb 1.56 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 28.41 3gsy h TRP 266 CO 0.08 0.05 0.42 -0.56 -2.79 0.00 0.00 178.44 175.65 3gsy h GLN 267 N 0.50 0.78 0.01 2.65 3.07 -1.55 0.15 115.11 120.71 3gsy h GLN 267 Ca 0.52 -0.05 -0.10 0.00 0.09 0.00 0.00 58.65 59.11 3gsy h GLN 267 Cb 0.90 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 28.29 3gsy h GLN 267 CO -0.46 0.51 -0.41 0.74 0.09 0.00 0.00 178.83 179.30 3gsy h PHE 268 N 0.80 0.40 -0.45 0.06 0.04 -1.41 -2.94 116.94 113.44 3gsy h PHE 268 Ca 0.25 -0.22 0.06 0.00 2.80 0.00 0.00 57.97 60.85 3gsy h PHE 268 Cb 0.02 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.07 3gsy h PHE 268 CO -0.00 1.04 0.17 0.28 -0.60 0.00 0.00 178.31 179.20 3gsy h VAL 269 N -0.35 0.87 -0.26 -0.55 2.07 -0.91 -2.08 116.25 115.04 3gsy h VAL 269 Ca -0.05 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3gsy h VAL 269 Cb 1.16 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3gsy h VAL 269 CO 0.08 0.06 0.14 0.00 0.02 0.00 0.00 177.57 177.87 3gsy h ALA 270 N 1.29 0.33 0.00 1.67 0.00 -0.77 -1.23 119.26 120.55 3gsy h ALA 270 Ca 0.21 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3gsy h ALA 270 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3gsy h ALA 270 CO -0.21 -0.13 -0.56 1.49 0.00 0.00 0.00 179.25 179.84 3gsy h GLU 271 N 0.30 0.00 0.00 0.00 4.81 -1.43 -3.29 114.58 114.98 3gsy h GLU 271 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3gsy h GLU 271 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3gsy h GLU 271 CO -0.01 0.56 -1.03 0.39 -0.73 0.00 0.00 179.01 178.19 3gsy n GLU 272 N -3.50 0.50 -1.57 1.92 1.02 -0.79 -4.40 120.64 113.82 3gsy n GLU 272 Ca 0.00 0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 3gsy n GLU 272 Cb 0.65 -1.74 0.02 0.00 -0.02 0.00 0.00 31.44 30.35 3gsy n GLU 272 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gsy n LEU 273 N -2.43 2.14 -4.63 -4.62 4.77 -0.48 -4.94 117.00 106.82 3gsy n LEU 273 Ca 0.01 0.97 -0.31 0.00 -0.03 0.00 0.00 56.01 56.64 3gsy n LEU 273 Cb 0.51 -1.30 0.16 0.00 -2.33 0.00 0.00 43.42 40.46 3gsy n LEU 273 CO 0.40 -1.87 0.55 -0.62 -1.33 0.00 0.00 177.39 174.52 3gsy n GLU 274 N 0.09 -0.43 0.28 3.23 1.02 -1.26 -4.68 120.64 118.89 3gsy n GLU 274 Ca 0.10 -0.06 0.19 0.00 -0.02 0.00 0.00 57.16 57.37 3gsy n GLU 274 Cb 0.40 -2.29 0.90 0.00 -0.02 0.00 0.00 31.44 30.44 3gsy n GLU 274 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3gsy h GLU 275 N -1.83 0.00 0.00 3.49 4.11 -1.92 -1.72 114.58 116.70 3gsy h GLU 275 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3gsy h GLU 275 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3gsy h GLU 275 CO 0.40 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.23 3gsy n ASP 276 N -2.93 0.00 -4.12 3.06 8.00 -1.26 -3.76 116.55 115.54 3gsy n ASP 276 Ca -0.01 -1.41 -0.19 0.00 0.71 0.00 0.00 54.79 53.89 3gsy n ASP 276 Cb 0.17 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.13 3gsy n ASP 276 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gsy s PHE 277 N -2.00 1.13 -0.03 1.24 0.08 -0.65 -1.00 117.98 116.75 3gsy s PHE 277 Ca 0.20 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.92 3gsy s PHE 277 Cb 0.09 -0.67 0.02 0.00 -0.57 0.00 0.00 43.02 41.89 3gsy s PHE 277 CO 0.16 0.02 -0.02 0.99 -0.10 0.00 0.00 175.22 176.27 3gsy s THR 278 N -0.83 0.30 -0.18 0.64 2.01 -0.40 -4.79 115.64 112.40 3gsy s THR 278 Ca 0.01 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.99 3gsy s THR 278 Cb -0.08 -0.35 0.04 0.00 0.01 0.00 0.00 72.50 72.12 3gsy s THR 278 CO 0.01 0.16 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.81 3gsy s LEU 279 N 0.80 1.88 0.39 4.42 2.96 -1.26 -1.15 118.68 126.72 3gsy s LEU 279 Ca -0.09 -0.78 0.07 0.00 -0.22 0.00 0.00 54.13 53.11 3gsy s LEU 279 Cb -0.12 -1.02 -0.08 0.00 0.50 0.00 0.00 46.19 45.47 3gsy s LEU 279 CO -0.01 -0.18 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.39 3gsy s SER 280 N 1.55 3.69 -0.01 3.68 0.01 0.06 -4.56 113.70 118.13 3gsy s SER 280 Ca -0.01 -1.34 0.01 0.00 1.31 0.00 0.00 55.95 55.93 3gsy s SER 280 Cb -0.16 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.72 3gsy s SER 280 CO -0.08 -0.42 -0.02 -0.69 0.41 0.00 0.00 173.24 172.44 3gsy s VAL 281 N -2.75 0.23 -0.11 3.43 1.01 -0.70 -0.57 120.40 120.94 3gsy s VAL 281 Ca 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 3gsy s VAL 281 Cb 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 3gsy s VAL 281 CO 0.17 0.09 -0.06 -0.76 0.00 0.00 0.00 175.10 174.54 3gsy s LEU 282 N 0.20 3.15 0.02 3.92 1.43 -0.29 -0.51 118.68 126.60 3gsy s LEU 282 Ca -0.02 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3gsy s LEU 282 Cb -0.04 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3gsy s LEU 282 CO -0.00 0.26 0.07 -0.83 0.23 0.00 0.00 176.35 176.08 3gsy s GLY 283 N -0.20 0.16 0.31 -3.19 0.00 -0.23 0.46 107.32 104.63 3gsy s GLY 283 Ca 0.03 -0.45 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 3gsy s GLY 283 CO 0.03 -0.56 0.89 0.61 0.00 0.00 0.00 173.10 174.06 3gsy n GLY 284 N 1.20 0.83 3.80 0.20 0.00 -0.66 -0.61 105.19 109.96 3gsy n GLY 284 Ca -0.21 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 3gsy n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gsy s ALA 285 N -2.06 -0.96 -0.28 4.61 0.00 -1.26 -1.15 121.76 120.66 3gsy s ALA 285 Ca 0.19 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.67 3gsy s ALA 285 Cb -0.04 0.86 0.18 0.00 0.00 0.00 0.00 23.12 24.11 3gsy s ALA 285 CO 0.09 -1.00 0.51 0.34 0.00 0.00 0.00 175.76 175.71 3gsy s ASP 286 N -2.97 -0.74 0.95 0.00 -1.08 0.19 -4.05 116.67 108.97 3gsy s ASP 286 Ca 0.14 0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.38 3gsy s ASP 286 Cb -0.05 1.68 0.00 0.00 -1.46 0.00 0.00 42.92 43.09 3gsy s ASP 286 CO 0.08 -0.30 0.00 -0.62 0.52 0.00 0.00 175.17 174.85 3gsy n GLU 287 N 5.40 0.00 0.00 4.34 1.02 0.12 -1.62 120.64 129.89 3gsy n GLU 287 Ca 0.01 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.29 3gsy n GLU 287 Cb 0.51 0.00 0.59 0.00 -0.02 0.00 0.00 31.44 32.52 3gsy n GLU 287 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3gsy n LYS 288 N 10.22 0.08 -3.42 3.49 5.02 -1.26 -4.75 118.16 127.53 3gsy n LYS 288 Ca 0.00 -0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 3gsy n LYS 288 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.42 3gsy n LYS 288 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3gsy s GLN 289 N -2.93 3.62 -0.10 1.97 -0.21 -0.64 -4.50 119.66 116.87 3gsy s GLN 289 Ca 0.16 -0.38 -0.03 0.00 0.02 0.00 0.00 55.36 55.13 3gsy s GLN 289 Cb 0.19 -3.78 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 3gsy s GLN 289 CO 0.54 -0.48 0.01 0.08 -2.12 0.00 0.00 175.29 173.32 3gsy s VAL 290 N 1.99 4.37 -0.09 1.09 1.01 -0.37 -0.64 120.40 127.76 3gsy s VAL 290 Ca 0.11 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3gsy s VAL 290 Cb -0.16 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 3gsy s VAL 290 CO 0.11 0.59 -0.23 -1.66 0.00 0.00 0.00 175.10 173.91 3gsy s TRP 291 N -0.69 2.56 -0.18 5.22 1.48 -0.30 -1.31 118.94 125.71 3gsy s TRP 291 Ca 0.11 -0.92 0.00 0.00 -1.06 0.00 0.00 56.10 54.23 3gsy s TRP 291 Cb -0.12 -1.69 0.04 0.00 -1.16 0.00 0.00 33.47 30.54 3gsy s TRP 291 CO 0.02 -0.34 -0.08 -0.51 -4.06 0.00 0.00 176.95 171.99 3gsy s LEU 292 N 0.20 1.84 -0.38 -4.66 1.43 -0.30 -1.65 118.68 115.16 3gsy s LEU 292 Ca -0.14 -0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 52.06 3gsy s LEU 292 Cb -0.17 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 45.02 3gsy s LEU 292 CO 0.07 -0.16 0.50 -0.89 0.23 0.00 0.00 176.35 176.10 3gsy s THR 293 N 1.54 5.02 -0.21 5.49 2.01 0.17 -0.18 115.64 129.49 3gsy s THR 293 Ca 0.00 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.87 3gsy s THR 293 Cb -0.15 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 3gsy s THR 293 CO -0.08 -0.33 0.64 -0.04 -0.69 0.00 0.00 174.62 174.12 3gsy s MET 294 N 2.35 4.20 -0.30 4.92 1.00 0.66 -1.14 119.30 131.00 3gsy s MET 294 Ca 0.17 0.63 -0.07 0.00 0.00 0.00 0.00 55.69 56.42 3gsy s MET 294 Cb -0.16 -3.59 0.01 0.00 0.00 0.00 0.00 34.83 31.09 3gsy s MET 294 CO 0.14 -0.28 0.08 -0.51 0.00 0.00 0.00 175.02 174.45 3gsy s LEU 295 N 2.03 3.85 0.02 -0.03 1.43 0.26 -1.58 118.68 124.67 3gsy s LEU 295 Ca 0.29 -0.75 0.08 0.00 -1.03 0.00 0.00 54.13 52.71 3gsy s LEU 295 Cb -0.16 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3gsy s LEU 295 CO 0.10 -0.20 -0.23 -0.83 0.23 0.00 0.00 176.35 175.42 3gsy s GLY 296 N 1.48 1.43 -0.02 -3.19 0.00 0.07 -0.76 107.32 106.34 3gsy s GLY 296 Ca 0.02 -1.18 -0.00 0.00 0.00 0.00 0.00 44.72 43.56 3gsy s GLY 296 CO 0.02 -1.04 0.03 -0.12 0.00 0.00 0.00 173.10 171.99 3gsy s PHE 297 N -0.78 0.02 -0.06 1.90 5.36 -0.30 -1.83 117.98 122.28 3gsy s PHE 297 Ca 0.12 0.12 0.02 0.00 -0.96 0.00 0.00 56.93 56.24 3gsy s PHE 297 Cb -0.10 -0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.40 3gsy s PHE 297 CO 0.02 -0.08 -0.11 -1.58 -1.46 0.00 0.00 175.22 172.01 3gsy s HIS 298 N 0.89 1.35 -0.92 10.12 5.65 0.77 -1.27 115.29 131.88 3gsy s HIS 298 Ca -0.07 -0.47 -0.10 0.00 0.25 0.00 0.00 55.06 54.67 3gsy s HIS 298 Cb -0.11 -0.99 -0.07 0.00 -1.18 0.00 0.00 32.58 30.22 3gsy s HIS 298 CO -0.03 -0.24 2.09 0.34 -0.65 0.00 0.00 174.74 176.25 3gsy n PHE 299 N 3.75 1.58 -3.84 3.88 7.35 -0.17 -1.75 117.46 128.26 3gsy n PHE 299 Ca -0.23 -1.99 0.00 0.00 -0.76 0.00 0.00 57.45 54.47 3gsy n PHE 299 Cb 0.52 -1.73 0.00 0.00 0.35 0.00 0.00 39.48 38.62 3gsy n PHE 299 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gsy n GLY 300 N 3.95 -0.82 3.94 7.13 0.00 -1.26 -4.91 105.19 113.21 3gsy n GLY 300 Ca 0.47 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 3gsy n GLY 300 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gsy s LEU 301 N 0.00 3.20 0.29 0.99 1.43 -1.26 -1.94 118.68 121.39 3gsy s LEU 301 Ca 0.00 0.41 0.10 0.00 -1.03 0.00 0.00 54.13 53.60 3gsy s LEU 301 Cb 0.00 -3.21 0.41 0.00 0.03 0.00 0.00 46.19 43.42 3gsy s LEU 301 CO 0.00 -1.16 1.65 0.07 0.23 0.00 0.00 176.35 177.14 3gsy h LYS 302 N -0.13 0.06 -0.40 1.70 2.10 -1.95 -2.26 116.57 115.69 3gsy h LYS 302 Ca -0.44 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.15 3gsy h LYS 302 Cb 1.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 3gsy h LYS 302 CO 0.58 0.60 0.17 1.79 -2.00 0.00 0.00 179.45 180.59 3gsy h THR 303 N 0.04 1.19 -0.34 0.07 1.35 -1.99 0.55 112.91 113.78 3gsy h THR 303 Ca -0.00 -0.58 -0.05 0.00 -0.55 0.00 0.00 66.41 65.22 3gsy h THR 303 Cb 1.00 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 3gsy h THR 303 CO 0.08 0.21 -0.00 0.58 -0.25 0.00 0.00 175.52 176.13 3gsy h VAL 304 N 0.50 1.26 -0.21 6.82 2.07 -1.95 -1.69 116.25 123.05 3gsy h VAL 304 Ca 0.13 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.73 3gsy h VAL 304 Cb 0.17 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3gsy h VAL 304 CO -0.01 0.32 -0.08 0.00 0.02 0.00 0.00 177.57 177.81 3gsy h ALA 305 N 0.85 0.10 -0.16 1.67 0.00 -1.11 -1.68 119.26 118.93 3gsy h ALA 305 Ca 0.10 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 3gsy h ALA 305 Cb 0.45 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3gsy h ALA 305 CO 0.02 -0.51 -0.55 -0.22 0.00 0.00 0.00 179.25 177.99 3gsy h LYS 306 N -0.05 0.50 -0.96 0.00 3.64 -0.88 -2.39 116.57 116.42 3gsy h LYS 306 Ca 0.11 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3gsy h LYS 306 Cb 0.21 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 3gsy h LYS 306 CO -0.24 0.92 0.61 0.77 -2.27 0.00 0.00 179.45 179.24 3gsy h SER 307 N 0.38 1.13 -0.10 4.20 0.02 -1.10 0.13 113.55 118.20 3gsy h SER 307 Ca 0.01 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3gsy h SER 307 Cb 1.09 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3gsy h SER 307 CO 0.10 0.84 0.03 0.74 -1.14 0.00 0.00 176.83 177.39 3gsy h THR 308 N 1.31 1.19 0.00 -2.27 2.02 -1.07 -2.27 112.91 111.83 3gsy h THR 308 Ca 0.35 -0.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 3gsy h THR 308 Cb -0.11 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3gsy h THR 308 CO -0.07 0.17 -0.56 -0.26 0.37 0.00 0.00 175.52 175.17 3gsy h PHE 309 N -0.04 0.00 -0.90 3.16 0.04 -1.27 -0.86 116.94 117.08 3gsy h PHE 309 Ca 0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 3gsy h PHE 309 Cb 0.25 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 3gsy h PHE 309 CO 0.01 0.56 0.50 -0.44 -0.60 0.00 0.00 178.31 178.34 3gsy h ASP 310 N 0.00 1.11 -0.00 2.17 3.32 -0.70 0.74 116.42 123.07 3gsy h ASP 310 Ca -0.01 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3gsy h ASP 310 Cb 1.24 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3gsy h ASP 310 CO 0.07 0.89 -0.00 0.25 -1.72 0.00 0.00 179.24 178.73 3gsy h LEU 311 N 1.25 0.00 0.00 1.55 5.85 -1.17 -3.30 115.31 119.50 3gsy h LEU 311 Ca 0.32 -0.71 -0.17 0.00 0.84 0.00 0.00 57.88 58.16 3gsy h LEU 311 Cb 0.01 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3gsy h LEU 311 CO -0.05 0.71 -1.28 -0.07 -0.34 0.00 0.00 178.44 177.40 3gsy h LEU 312 N -0.70 0.00 -5.40 2.25 3.38 -1.16 -3.41 115.31 110.27 3gsy h LEU 312 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 3gsy h LEU 312 Cb 0.71 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.15 3gsy h LEU 312 CO 0.00 0.63 -0.90 0.33 0.09 0.00 0.00 178.44 178.59 3gsy n PHE 313 N -2.98 -0.69 0.31 1.13 -0.00 0.24 -4.93 117.46 110.53 3gsy n PHE 313 Ca -0.08 -2.92 0.19 0.00 -0.00 0.00 0.00 57.45 54.64 3gsy n PHE 313 Cb 0.85 0.36 0.97 0.00 -0.00 0.00 0.00 39.48 41.66 3gsy n PHE 313 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3gsy h PRO 314 N 2.86 0.00 0.00 -7.13 0.13 -1.60 -2.27 132.00 123.99 3gsy h PRO 314 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 3gsy h PRO 314 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3gsy h PRO 314 CO 0.33 0.02 -0.03 0.93 -0.23 0.00 0.00 178.00 179.03 3gsy h GLU 315 N 0.00 0.00 0.00 0.86 3.07 -1.92 -1.77 114.58 114.82 3gsy h GLU 315 Ca -0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3gsy h GLU 315 Cb 0.20 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3gsy h GLU 315 CO 0.00 0.03 -0.15 -0.07 -1.40 0.00 0.00 179.01 177.42 3gsy h LEU 316 N 0.00 0.00 0.31 1.33 3.38 -1.78 -3.47 115.31 115.09 3gsy h LEU 316 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3gsy h LEU 316 Cb 0.11 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.93 3gsy h LEU 316 CO 0.00 0.15 -0.51 0.61 0.09 0.00 0.00 178.44 178.78 3gsy n GLY 317 N -0.80 -0.30 3.76 0.83 0.00 -0.67 -4.97 105.19 103.04 3gsy n GLY 317 Ca -0.02 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3gsy n GLY 317 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gsy s LEU 318 N -5.72 4.53 0.40 0.99 1.43 -1.26 -5.05 118.68 113.99 3gsy s LEU 318 Ca 0.31 2.28 0.08 0.00 -1.03 0.00 0.00 54.13 55.76 3gsy s LEU 318 Cb -0.14 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 3gsy s LEU 318 CO 0.38 -0.19 0.17 0.68 0.23 0.00 0.00 176.35 177.63 3gsy s VAL 319 N -1.00 2.46 0.28 -1.59 -7.23 -1.26 -5.02 120.40 107.04 3gsy s VAL 319 Ca 0.46 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 3gsy s VAL 319 Cb -0.32 -2.98 0.27 0.00 0.56 0.00 0.00 36.38 33.91 3gsy s VAL 319 CO 0.41 -0.05 1.79 -0.33 -0.31 0.00 0.00 175.10 176.61 3gsy h GLU 320 N 1.46 0.76 0.00 4.82 5.08 -1.96 -0.14 114.58 124.60 3gsy h GLU 320 Ca -0.43 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3gsy h GLU 320 Cb 1.25 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3gsy h GLU 320 CO 0.68 0.50 0.00 0.39 -1.00 0.00 0.00 179.01 179.58 3gsy n GLU 321 N -4.76 0.17 0.12 2.33 4.71 -1.26 -1.91 120.64 120.05 3gsy n GLU 321 Ca 0.19 0.47 -0.01 0.00 -0.01 0.00 0.00 57.16 57.80 3gsy n GLU 321 Cb 0.45 -1.87 0.10 0.00 -1.01 0.00 0.00 31.44 29.11 3gsy n GLU 321 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3gsy h ASP 322 N 0.00 0.00 -3.39 1.62 3.32 -1.41 -3.44 116.42 113.12 3gsy h ASP 322 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 3gsy h ASP 322 Cb 0.26 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.71 3gsy h ASP 322 CO 0.00 0.67 0.25 -0.31 -1.72 0.00 0.00 179.24 178.13 3gsy s TYR 323 N -3.28 3.34 -0.11 4.55 2.02 -0.80 -4.43 117.35 118.64 3gsy s TYR 323 Ca 0.00 0.98 0.03 0.00 -0.37 0.00 0.00 57.07 57.71 3gsy s TYR 323 Cb 0.11 -2.90 -0.00 0.00 -0.40 0.00 0.00 41.96 38.77 3gsy s TYR 323 CO 0.76 -0.28 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.74 3gsy s LEU 324 N 2.34 2.27 -0.12 -1.29 1.43 -0.34 -4.97 118.68 118.01 3gsy s LEU 324 Ca 0.30 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 3gsy s LEU 324 Cb -0.16 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 3gsy s LEU 324 CO 0.09 0.16 0.37 -1.61 0.23 0.00 0.00 176.35 175.59 3gsy s GLU 325 N 0.35 4.19 0.31 1.70 2.02 -1.26 -0.97 118.70 125.05 3gsy s GLU 325 Ca -0.16 0.26 -0.19 0.00 0.02 0.00 0.00 54.97 54.89 3gsy s GLU 325 Cb -0.17 -3.38 0.04 0.00 0.10 0.00 0.00 34.13 30.71 3gsy s GLU 325 CO 0.08 0.31 0.77 0.00 0.02 0.00 0.00 175.26 176.44 3gsy s MET 326 N 0.19 1.92 0.87 1.61 0.23 -0.51 -4.96 119.30 118.65 3gsy s MET 326 Ca 0.21 -1.14 -0.11 0.00 -1.03 0.00 0.00 55.69 53.61 3gsy s MET 326 Cb -0.14 0.60 0.12 0.00 -1.53 0.00 0.00 34.83 33.87 3gsy s MET 326 CO 0.08 -0.89 1.09 -1.54 -2.03 0.00 0.00 175.02 171.73 3gsy s SER 327 N -2.99 3.68 0.17 -1.18 1.04 -1.26 -0.40 113.70 112.76 3gsy s SER 327 Ca 0.13 1.52 -0.14 0.00 0.48 0.00 0.00 55.95 57.94 3gsy s SER 327 Cb -0.05 -2.21 0.08 0.00 0.10 0.00 0.00 66.02 63.94 3gsy s SER 327 CO 0.08 -2.51 1.81 -0.25 0.98 0.00 0.00 173.24 173.35 3gsy h TRP 328 N -1.46 0.54 -0.61 5.02 7.01 -1.80 -0.26 115.95 124.39 3gsy h TRP 328 Ca -0.48 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.53 3gsy h TRP 328 Cb 1.28 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 28.13 3gsy h TRP 328 CO 0.45 0.31 0.39 0.78 -2.79 0.00 0.00 178.44 177.58 3gsy h GLY 329 N 0.58 0.88 1.07 2.65 0.00 -1.92 -1.32 103.07 105.01 3gsy h GLY 329 Ca 0.19 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 3gsy h GLY 329 CO -0.09 0.34 0.57 0.83 0.00 0.00 0.00 176.54 178.20 3gsy h GLU 330 N 0.83 1.23 -0.58 4.80 5.08 -1.85 -2.44 114.58 121.65 3gsy h GLU 330 Ca 0.22 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3gsy h GLU 330 Cb -0.05 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 28.91 3gsy h GLU 330 CO -0.04 0.85 0.17 0.66 -1.00 0.00 0.00 179.01 179.65 3gsy h SER 331 N 1.26 0.82 0.32 1.42 4.64 0.05 0.79 113.55 122.84 3gsy h SER 331 Ca 0.33 -0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 61.33 3gsy h SER 331 Cb -0.08 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 3gsy h SER 331 CO -0.07 0.78 -0.74 -0.26 -0.87 0.00 0.00 176.83 175.67 3gsy h PHE 332 N 0.86 0.49 -0.33 4.77 -1.00 -1.07 0.05 116.94 120.70 3gsy h PHE 332 Ca 0.19 -0.22 -0.07 0.00 2.81 0.00 0.00 57.97 60.68 3gsy h PHE 332 Cb 0.26 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 3gsy h PHE 332 CO 0.02 0.98 -0.08 0.00 -1.61 0.00 0.00 178.31 177.61 3gsy h ALA 333 N 0.96 0.45 -0.27 2.45 0.00 -1.17 -3.11 119.26 118.57 3gsy h ALA 333 Ca -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3gsy h ALA 333 Cb 1.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3gsy h ALA 333 CO 0.12 0.29 0.05 -0.92 0.00 0.00 0.00 179.25 178.79 3gsy h TYR 334 N 0.41 0.47 -0.04 0.00 3.20 -0.69 -0.87 116.97 119.47 3gsy h TYR 334 Ca 0.08 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3gsy h TYR 334 Cb 0.58 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3gsy h TYR 334 CO 0.05 0.55 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.90 3gsy h LEU 335 N 0.27 0.05 -0.36 2.82 3.38 -1.06 -0.90 115.31 119.50 3gsy h LEU 335 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gsy h LEU 335 Cb 0.33 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3gsy h LEU 335 CO 0.00 0.21 -0.07 0.00 0.09 0.00 0.00 178.44 178.67 3gsy n ALA 336 N -2.50 2.72 -0.93 1.53 0.00 -1.15 -4.94 120.51 115.25 3gsy n ALA 336 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3gsy n ALA 336 Cb 0.23 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3gsy n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gsy n GLY 337 N 1.21 0.48 3.80 0.00 0.00 -0.34 -5.04 105.19 105.29 3gsy n GLY 337 Ca 0.17 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 3gsy n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gsy s LEU 338 N 0.00 3.34 0.12 0.99 1.43 -0.36 -4.98 118.68 119.22 3gsy s LEU 338 Ca 0.00 1.79 -0.08 0.00 -1.03 0.00 0.00 54.13 54.81 3gsy s LEU 338 Cb 0.00 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 3gsy s LEU 338 CO 0.00 -1.39 1.31 -0.33 0.23 0.00 0.00 176.35 176.18 3gsy h GLU 339 N -0.08 0.56 -3.76 1.70 4.39 -1.96 -3.41 114.58 112.01 3gsy h GLU 339 Ca -0.46 -0.53 -0.09 0.00 0.34 0.00 0.00 59.36 58.63 3gsy h GLU 339 Cb 1.22 0.13 -0.13 0.00 -0.10 0.00 0.00 28.75 29.87 3gsy h GLU 339 CO 0.56 1.16 -0.29 0.95 -1.16 0.00 0.00 179.01 180.23 3gsy s THR 340 N -3.48 0.09 0.31 1.13 -4.23 -1.26 -5.03 115.64 103.18 3gsy s THR 340 Ca -0.08 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 59.25 3gsy s THR 340 Cb 0.09 -1.56 0.26 0.00 1.34 0.00 0.00 72.50 72.64 3gsy s THR 340 CO 0.88 -0.42 1.98 0.58 -0.54 0.00 0.00 174.62 177.09 3gsy h VAL 341 N 2.58 1.19 -0.88 2.29 2.07 -1.91 -2.29 116.25 119.29 3gsy h VAL 341 Ca -0.33 -0.36 0.19 0.00 0.82 0.00 0.00 66.70 67.03 3gsy h VAL 341 Cb 1.22 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3gsy h VAL 341 CO 0.50 0.19 0.58 0.28 0.02 0.00 0.00 177.57 179.15 3gsy h SER 342 N 1.04 0.42 0.63 0.57 0.02 -1.98 -0.16 113.55 114.09 3gsy h SER 342 Ca 0.29 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 3gsy h SER 342 Cb -0.09 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3gsy h SER 342 CO -0.07 0.18 -0.06 1.56 -1.14 0.00 0.00 176.83 177.30 3gsy h GLN 343 N 0.42 0.00 -0.57 3.45 4.20 -1.82 -1.46 115.11 119.33 3gsy h GLN 343 Ca 0.46 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.27 3gsy h GLN 343 Cb 1.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 3gsy h GLN 343 CO -0.17 0.06 0.39 -0.07 -0.67 0.00 0.00 178.83 178.36 3gsy h LEU 344 N 0.00 0.31 -0.87 1.46 3.38 -1.13 -2.23 115.31 116.23 3gsy h LEU 344 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gsy h LEU 344 Cb 0.39 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3gsy h LEU 344 CO 0.01 0.18 0.00 -3.20 0.09 0.00 0.00 178.44 175.52 3gsy n ASN 345 N -4.46 1.26 -4.18 -0.43 5.15 -0.55 -2.68 115.26 109.38 3gsy n ASN 345 Ca 0.09 -1.95 -0.40 0.00 -0.60 0.00 0.00 54.58 51.73 3gsy n ASN 345 Cb 0.40 -0.15 -0.09 0.00 -0.53 0.00 0.00 39.78 39.41 3gsy n ASN 345 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3gsy s ASN 346 N -1.07 5.62 0.47 1.20 3.84 -0.84 -4.86 114.94 119.30 3gsy s ASN 346 Ca 0.18 -2.28 0.32 0.00 0.21 0.00 0.00 52.86 51.28 3gsy s ASN 346 Cb 0.09 -1.96 1.42 0.00 -0.55 0.00 0.00 41.25 40.25 3gsy s ASN 346 CO 0.13 -0.57 1.95 0.08 -2.79 0.00 0.00 177.10 175.90 3gsy h ARG 347 N 7.91 0.00 -0.42 0.43 0.11 -1.86 -2.38 114.38 118.17 3gsy h ARG 347 Ca -0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.97 3gsy h ARG 347 Cb 1.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.11 3gsy h ARG 347 CO 0.78 0.00 0.00 1.19 0.10 0.00 0.00 179.97 182.04 3gsy n PHE 348 N -2.79 0.54 -1.81 4.08 3.72 -1.26 -4.88 117.46 115.07 3gsy n PHE 348 Ca 0.00 -0.33 -0.42 0.00 -0.05 0.00 0.00 57.45 56.65 3gsy n PHE 348 Cb 0.23 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 3gsy n PHE 348 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3gsy s LEU 349 N -1.23 4.38 -0.54 4.37 0.20 -0.90 -4.91 118.68 120.06 3gsy s LEU 349 Ca 0.35 2.70 -0.28 0.00 0.69 0.00 0.00 54.13 57.60 3gsy s LEU 349 Cb 0.20 -3.58 0.01 0.00 -0.43 0.00 0.00 46.19 42.39 3gsy s LEU 349 CO 0.27 -0.94 1.42 -0.54 -0.29 0.00 0.00 176.35 176.27 3gsy s LYS 350 N 1.99 3.34 -0.06 1.98 -0.14 -1.26 -4.86 119.74 120.72 3gsy s LYS 350 Ca 0.76 0.53 -0.24 0.00 -1.36 0.00 0.00 55.97 55.65 3gsy s LYS 350 Cb -0.45 -4.11 -0.27 0.00 -1.68 0.00 0.00 37.83 31.31 3gsy s LYS 350 CO 0.33 -1.89 0.92 0.35 -0.76 0.00 0.00 175.35 174.31 3gsy h PHE 351 N 11.03 0.36 -1.46 3.18 3.04 -1.97 -3.44 116.94 127.68 3gsy h PHE 351 Ca -0.27 -0.24 -0.05 0.00 3.98 0.00 0.00 57.97 61.39 3gsy h PHE 351 Cb 1.09 -0.02 -0.26 0.00 2.56 0.00 0.00 35.95 39.32 3gsy h PHE 351 CO 1.02 1.13 -0.41 0.34 -2.02 0.00 0.00 178.31 178.38 3gsy s ASP 352 N -6.61 -0.51 -0.14 0.41 -1.08 -1.26 -5.05 116.67 102.43 3gsy s ASP 352 Ca -0.15 0.34 0.02 0.00 -0.52 0.00 0.00 52.55 52.24 3gsy s ASP 352 Cb 0.00 1.58 0.24 0.00 -1.46 0.00 0.00 42.92 43.28 3gsy s ASP 352 CO 0.78 -0.30 1.22 1.21 0.52 0.00 0.00 175.17 178.60 3gsy n GLU 353 N 5.39 1.67 -4.28 4.34 4.07 -1.26 -4.91 120.64 125.66 3gsy n GLU 353 Ca -0.01 -1.05 -0.35 0.00 -0.06 0.00 0.00 57.16 55.69 3gsy n GLU 353 Cb 0.51 -1.50 -0.09 0.00 -0.06 0.00 0.00 31.44 30.30 3gsy n GLU 353 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3gsy s ARG 354 N -1.26 3.12 0.51 5.31 0.52 -1.26 -4.87 118.95 121.02 3gsy s ARG 354 Ca 0.19 -0.36 -0.23 0.00 -0.52 0.00 0.00 55.73 54.81 3gsy s ARG 354 Cb 0.16 -2.88 -0.06 0.00 0.52 0.00 0.00 34.95 32.69 3gsy s ARG 354 CO 0.04 0.68 1.40 0.00 0.02 0.00 0.00 175.30 177.45 3gsy s ALA 355 N -0.82 3.01 0.14 2.13 0.00 -0.71 -4.43 121.76 121.08 3gsy s ALA 355 Ca 0.13 1.42 -0.18 0.00 0.00 0.00 0.00 51.96 53.32 3gsy s ALA 355 Cb -0.12 -3.59 0.04 0.00 0.00 0.00 0.00 23.12 19.46 3gsy s ALA 355 CO 0.02 -1.33 0.46 -0.59 0.00 0.00 0.00 175.76 174.33 3gsy s PHE 356 N -1.25 -0.29 0.01 0.00 -0.12 -1.26 -1.30 117.98 113.77 3gsy s PHE 356 Ca 0.67 0.01 0.02 0.00 -0.05 0.00 0.00 56.93 57.57 3gsy s PHE 356 Cb -0.43 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.30 3gsy s PHE 356 CO 0.52 -0.76 -0.06 0.21 -0.05 0.00 0.00 175.22 175.09 3gsy s LYS 357 N -3.79 0.44 0.01 1.99 2.20 -0.57 -4.87 119.74 115.14 3gsy s LYS 357 Ca 0.03 -0.40 -0.04 0.00 -0.36 0.00 0.00 55.97 55.20 3gsy s LYS 357 Cb 0.01 -0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 35.99 3gsy s LYS 357 CO -0.12 0.08 0.07 -0.08 -0.36 0.00 0.00 175.35 174.94 3gsy s THR 358 N -0.61 0.09 0.18 3.43 -1.32 -1.26 -1.43 115.64 114.71 3gsy s THR 358 Ca -0.03 -0.74 0.04 0.00 -1.21 0.00 0.00 61.69 59.75 3gsy s THR 358 Cb -0.05 -0.35 -0.05 0.00 -1.51 0.00 0.00 72.50 70.54 3gsy s THR 358 CO 0.00 -0.41 -0.05 -0.54 -2.21 0.00 0.00 174.62 171.41 3gsy s LYS 359 N -1.35 1.17 0.05 7.08 1.02 -0.23 -4.98 119.74 122.50 3gsy s LYS 359 Ca -0.15 -1.55 0.02 0.00 0.02 0.00 0.00 55.97 54.31 3gsy s LYS 359 Cb -0.08 -0.56 -0.03 0.00 -0.52 0.00 0.00 37.83 36.64 3gsy s LYS 359 CO 0.01 -0.02 -0.06 0.54 -0.92 0.00 0.00 175.35 174.89 3gsy s VAL 360 N -3.42 0.47 0.09 3.17 0.11 -1.26 -0.72 120.40 118.84 3gsy s VAL 360 Ca 0.22 -1.22 0.05 0.00 -2.93 0.00 0.00 61.98 58.11 3gsy s VAL 360 Cb 0.04 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 3gsy s VAL 360 CO 0.04 -0.51 -0.14 -1.81 -3.33 0.00 0.00 175.10 169.35 3gsy s ASP 361 N -1.85 1.82 0.07 3.54 1.01 0.45 -4.87 116.67 116.84 3gsy s ASP 361 Ca -0.07 -0.70 0.06 0.00 0.71 0.00 0.00 52.55 52.56 3gsy s ASP 361 Cb -0.07 -0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 3gsy s ASP 361 CO -0.01 -0.10 -0.12 -0.76 0.21 0.00 0.00 175.17 174.39 3gsy s LEU 362 N -2.03 2.93 0.22 1.23 2.01 -1.26 -0.70 118.68 121.09 3gsy s LEU 362 Ca 0.03 -0.36 0.11 0.00 0.01 0.00 0.00 54.13 53.92 3gsy s LEU 362 Cb -0.08 -1.73 -0.05 0.00 0.01 0.00 0.00 46.19 44.34 3gsy s LEU 362 CO 0.02 0.22 -0.22 0.42 1.01 0.00 0.00 176.35 177.81 3gsy s THR 363 N -1.09 2.33 0.00 5.49 -4.23 -0.48 -1.75 115.64 115.90 3gsy s THR 363 Ca 0.19 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3gsy s THR 363 Cb -0.11 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.57 3gsy s THR 363 CO 0.10 -0.26 0.00 0.29 -0.54 0.00 0.00 174.62 174.21 3gsy n LYS 364 N -0.08 2.81 -4.32 3.99 5.02 -1.26 -0.82 118.16 123.50 3gsy n LYS 364 Ca -0.10 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.92 3gsy n LYS 364 Cb 0.58 -0.94 -0.10 0.00 -0.02 0.00 0.00 35.03 34.54 3gsy n LYS 364 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gsy s GLU 365 N -1.86 1.91 0.55 1.97 2.02 -1.26 -4.72 118.70 117.30 3gsy s GLU 365 Ca 0.00 -1.31 -0.21 0.00 0.02 0.00 0.00 54.97 53.47 3gsy s GLU 365 Cb 0.00 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 3gsy s GLU 365 CO 0.00 0.43 1.24 -2.30 0.02 0.00 0.00 175.26 174.66 3gsy n PRO 366 N 0.20 1.47 -2.77 0.39 -0.02 -1.26 -4.95 135.00 128.06 3gsy n PRO 366 Ca -0.12 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 3gsy n PRO 366 Cb 0.55 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3gsy n PRO 366 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gsy s LEU 367 N -2.93 4.38 0.66 2.45 1.43 -1.26 -5.04 118.68 118.37 3gsy s LEU 367 Ca 0.72 1.61 -0.15 0.00 -1.03 0.00 0.00 54.13 55.28 3gsy s LEU 367 Cb -0.43 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.30 3gsy s LEU 367 CO 0.49 -0.21 1.11 -2.16 0.23 0.00 0.00 176.35 175.81 3gsy s PRO 368 N 0.83 2.79 0.30 1.29 0.04 -1.26 -4.91 135.00 134.08 3gsy s PRO 368 Ca 0.49 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.95 3gsy s PRO 368 Cb -0.21 -1.95 0.71 0.00 0.04 0.00 0.00 34.50 33.09 3gsy s PRO 368 CO 0.27 -1.25 1.78 1.03 0.04 0.00 0.00 177.00 178.87 3gsy h SER 369 N -0.02 0.80 0.37 6.66 0.87 -1.96 -0.14 113.55 120.13 3gsy h SER 369 Ca -0.47 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 3gsy h SER 369 Cb 1.24 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 3gsy h SER 369 CO 0.54 0.30 -0.04 0.07 -0.53 0.00 0.00 176.83 177.17 3gsy h LYS 370 N 0.79 0.00 -0.11 2.24 2.10 -1.98 -0.78 116.57 118.83 3gsy h LYS 370 Ca 0.57 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 59.13 3gsy h LYS 370 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 3gsy h LYS 370 CO -0.37 0.04 -0.29 0.00 -2.00 0.00 0.00 179.45 176.82 3gsy h ALA 371 N 1.96 0.18 -0.66 0.07 0.00 -1.37 -1.07 119.26 118.37 3gsy h ALA 371 Ca -0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3gsy h ALA 371 Cb 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3gsy h ALA 371 CO 0.00 0.20 0.14 0.74 0.00 0.00 0.00 179.25 180.34 3gsy h PHE 372 N -0.05 1.12 -0.10 0.00 0.04 -1.38 -1.06 116.94 115.52 3gsy h PHE 372 Ca -0.01 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 3gsy h PHE 372 Cb 0.91 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 3gsy h PHE 372 CO 0.11 0.93 0.06 -0.92 -0.60 0.00 0.00 178.31 177.89 3gsy h TYR 373 N 1.01 0.13 -0.61 -0.55 3.20 -1.10 -0.28 116.97 118.78 3gsy h TYR 373 Ca 0.21 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3gsy h TYR 373 Cb 0.39 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3gsy h TYR 373 CO 0.03 0.11 0.14 0.78 -1.64 0.00 0.00 178.16 177.59 3gsy h GLY 374 N 0.11 1.02 0.95 1.82 0.00 -1.12 -0.05 103.07 105.80 3gsy h GLY 374 Ca 0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 3gsy h GLY 374 CO -0.01 0.57 0.14 -2.00 0.00 0.00 0.00 176.54 175.25 3gsy h LEU 375 N 0.91 0.64 -0.76 3.11 5.85 -0.92 -1.81 115.31 122.33 3gsy h LEU 375 Ca 0.19 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 3gsy h LEU 375 Cb 0.33 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3gsy h LEU 375 CO 0.00 0.67 0.22 -0.07 -0.34 0.00 0.00 178.44 178.92 3gsy h LEU 376 N 0.57 1.08 -0.69 2.25 3.38 -0.73 -1.00 115.31 120.18 3gsy h LEU 376 Ca 0.14 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3gsy h LEU 376 Cb 0.26 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3gsy h LEU 376 CO -0.01 1.01 0.42 -0.33 0.09 0.00 0.00 178.44 179.62 3gsy h GLU 377 N 1.10 0.78 -0.43 1.13 5.08 -0.79 -0.13 114.58 121.34 3gsy h GLU 377 Ca 0.24 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 3gsy h GLU 377 Cb 0.32 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3gsy h GLU 377 CO -0.01 0.52 -0.28 0.00 -1.00 0.00 0.00 179.01 178.25 3gsy h ARG 378 N 0.81 0.92 -0.50 2.33 3.08 -1.03 -2.57 114.38 117.42 3gsy h ARG 378 Ca 0.28 -0.42 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3gsy h ARG 378 Cb 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3gsy h ARG 378 CO -0.13 1.08 0.19 -0.07 -1.07 0.00 0.00 179.97 179.98 3gsy h LEU 379 N 0.78 0.65 -1.61 3.04 3.38 -0.86 -2.51 115.31 118.18 3gsy h LEU 379 Ca 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3gsy h LEU 379 Cb 0.85 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3gsy h LEU 379 CO 0.07 0.59 -0.14 0.77 0.09 0.00 0.00 178.44 179.82 3gsy h SER 380 N 0.71 0.00 0.65 -0.43 4.64 -0.62 -1.98 113.55 116.52 3gsy h SER 380 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3gsy h SER 380 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3gsy h SER 380 CO -0.02 0.14 -0.54 0.29 -0.87 0.00 0.00 176.83 175.84 3gsy n LYS 381 N -3.44 0.11 -3.44 4.77 5.02 -0.96 -0.70 118.16 119.52 3gsy n LYS 381 Ca -0.01 0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 3gsy n LYS 381 Cb 0.31 -1.57 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 3gsy n LYS 381 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3gsy s GLU 382 N -3.06 0.73 0.42 1.97 2.56 -0.74 -5.00 118.70 115.57 3gsy s GLU 382 Ca 0.09 -1.70 0.28 0.00 0.00 0.00 0.00 54.97 53.65 3gsy s GLU 382 Cb 0.16 -1.38 1.51 0.00 2.00 0.00 0.00 34.13 36.42 3gsy s GLU 382 CO 0.70 -1.29 1.87 -1.35 -0.56 0.00 0.00 175.26 174.63 3gsy h PRO 383 N 6.39 0.00 -0.00 4.30 0.11 -1.70 0.14 132.00 141.23 3gsy h PRO 383 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3gsy h PRO 383 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3gsy h PRO 383 CO 0.32 0.00 -0.06 0.09 -0.21 0.00 0.00 178.00 178.14 3gsy n ASN 384 N -2.51 0.12 -4.88 -2.05 4.13 -1.26 -4.83 115.26 103.99 3gsy n ASN 384 Ca -0.02 0.02 -0.32 0.00 1.68 0.00 0.00 54.58 55.95 3gsy n ASN 384 Cb 0.07 -0.29 -0.05 0.00 -1.54 0.00 0.00 39.78 37.97 3gsy n ASN 384 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3gsy s GLY 385 N -2.75 2.24 0.21 7.41 0.00 0.03 -2.27 107.32 112.19 3gsy s GLY 385 Ca 0.22 -0.32 -0.12 0.00 0.00 0.00 0.00 44.72 44.50 3gsy s GLY 385 CO 0.51 -0.19 0.42 -0.11 0.00 0.00 0.00 173.10 173.73 3gsy s PHE 386 N -1.84 0.30 0.12 1.90 -0.12 0.30 -4.60 117.98 114.05 3gsy s PHE 386 Ca 0.47 -0.65 0.07 0.00 -0.05 0.00 0.00 56.93 56.77 3gsy s PHE 386 Cb -0.11 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 3gsy s PHE 386 CO 0.22 -0.88 -0.18 0.96 -0.05 0.00 0.00 175.22 175.29 3gsy s ILE 387 N -3.98 1.58 -0.08 -4.49 -4.36 0.22 -0.73 121.20 109.37 3gsy s ILE 387 Ca 0.19 -1.68 0.02 0.00 -0.26 0.00 0.00 60.65 58.91 3gsy s ILE 387 Cb 0.01 -1.59 0.01 0.00 1.25 0.00 0.00 42.46 42.14 3gsy s ILE 387 CO 0.04 -0.25 -0.13 0.00 0.24 0.00 0.00 174.94 174.84 3gsy s ALA 388 N -1.71 1.41 -0.11 2.27 0.00 -0.52 -1.07 121.76 122.04 3gsy s ALA 388 Ca 0.09 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3gsy s ALA 388 Cb -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.37 3gsy s ALA 388 CO 0.04 0.02 -0.23 -0.51 0.00 0.00 0.00 175.76 175.08 3gsy s LEU 389 N 0.85 2.07 -0.01 0.00 1.43 0.33 -0.83 118.68 122.52 3gsy s LEU 389 Ca -0.11 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.46 3gsy s LEU 389 Cb -0.15 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 3gsy s LEU 389 CO 0.01 0.12 -0.12 0.20 0.23 0.00 0.00 176.35 176.80 3gsy s ASN 390 N 0.55 1.39 0.18 2.29 0.01 -0.52 -1.72 114.94 117.12 3gsy s ASN 390 Ca -0.14 -0.21 -0.12 0.00 -0.71 0.00 0.00 52.86 51.67 3gsy s ASN 390 Cb -0.17 -0.16 -0.07 0.00 0.41 0.00 0.00 41.25 41.26 3gsy s ASN 390 CO 0.04 0.14 0.55 -0.83 -1.51 0.00 0.00 177.10 175.50 3gsy s GLY 391 N -0.26 2.38 0.00 0.66 0.00 -1.26 -0.63 107.32 108.20 3gsy s GLY 391 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.57 3gsy s GLY 391 CO -0.00 0.03 0.00 0.69 0.00 0.00 0.00 173.10 173.81 3gsy n PHE 392 N 0.39 0.00 -3.97 1.90 3.01 0.08 -4.89 117.46 113.98 3gsy n PHE 392 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3gsy n PHE 392 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3gsy n PHE 392 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gsy n GLY 393 N 5.00 -1.81 7.00 1.37 0.00 -1.26 -4.52 105.19 110.98 3gsy n GLY 393 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3gsy n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gsy n GLY 394 N 0.00 2.97 0.26 -0.02 0.00 -1.26 -1.43 105.19 105.71 3gsy n GLY 394 Ca 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.90 3gsy n GLY 394 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gsy h GLN 395 N 0.00 0.00 0.00 1.61 5.75 -0.75 -1.77 115.11 119.95 3gsy h GLN 395 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3gsy h GLN 395 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 3gsy h GLN 395 CO 0.00 0.12 -0.08 0.52 -2.65 0.00 0.00 178.83 176.74 3gsy h MET 396 N 0.00 0.00 -0.01 1.69 2.86 -1.41 -1.02 114.93 117.05 3gsy h MET 396 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gsy h MET 396 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3gsy h MET 396 CO 0.02 0.08 -0.28 0.43 1.06 0.00 0.00 176.91 178.22 3gsy n SER 397 N -3.70 0.81 -0.00 1.22 7.64 -0.67 -3.44 113.62 115.47 3gsy n SER 397 Ca -0.02 -0.67 0.09 0.00 1.01 0.00 0.00 58.87 59.28 3gsy n SER 397 Cb 0.19 0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 3gsy n SER 397 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3gsy n LYS 398 N -0.90 0.73 -3.19 1.43 5.02 -0.42 -4.22 118.16 116.62 3gsy n LYS 398 Ca 0.11 -0.06 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 3gsy n LYS 398 Cb 0.33 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 3gsy n LYS 398 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gsy s ILE 399 N -2.96 5.00 0.62 -0.18 1.01 -1.01 -5.05 121.20 118.64 3gsy s ILE 399 Ca 0.03 1.23 -0.17 0.00 0.00 0.00 0.00 60.65 61.73 3gsy s ILE 399 Cb 0.14 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 3gsy s ILE 399 CO 0.78 0.36 1.16 -0.94 0.00 0.00 0.00 174.94 176.30 3gsy s SER 400 N 0.20 5.13 0.62 3.58 1.04 -1.26 -4.48 113.70 118.53 3gsy s SER 400 Ca 0.31 2.21 0.39 0.00 0.48 0.00 0.00 55.95 59.35 3gsy s SER 400 Cb -0.17 -2.58 2.07 0.00 0.10 0.00 0.00 66.02 65.44 3gsy s SER 400 CO 0.16 -1.62 2.26 0.77 0.98 0.00 0.00 173.24 175.78 3gsy h SER 401 N 0.51 0.00 -0.32 7.02 4.64 -1.89 -2.61 113.55 120.90 3gsy h SER 401 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3gsy h SER 401 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3gsy h SER 401 CO 0.54 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.62 3gsy n ASP 402 N -3.21 2.91 -0.11 4.97 5.75 -1.26 -4.16 116.55 121.44 3gsy n ASP 402 Ca -0.02 -2.06 -0.06 0.00 -0.01 0.00 0.00 54.79 52.64 3gsy n ASP 402 Cb 0.14 -0.23 0.02 0.00 -1.03 0.00 0.00 41.12 40.02 3gsy n ASP 402 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3gsy h PHE 403 N 1.86 0.20 -3.63 2.11 3.57 -1.80 -3.44 116.94 115.82 3gsy h PHE 403 Ca 0.00 0.02 -0.42 0.00 3.53 0.00 0.00 57.97 61.10 3gsy h PHE 403 Cb 0.75 -0.04 -0.14 0.00 2.79 0.00 0.00 35.95 39.32 3gsy h PHE 403 CO 0.23 0.07 -0.57 0.95 -2.23 0.00 0.00 178.31 176.76 3gsy s THR 404 N -6.16 0.51 0.54 4.41 -4.23 -1.26 -5.02 115.64 104.43 3gsy s THR 404 Ca -0.13 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.59 3gsy s THR 404 Cb 0.12 -2.56 0.30 0.00 1.34 0.00 0.00 72.50 71.70 3gsy s THR 404 CO 0.71 0.00 2.17 -0.65 -0.54 0.00 0.00 174.62 176.32 3gsy h PRO 405 N 2.20 0.00 -6.25 3.99 0.11 -1.76 -3.41 132.00 126.88 3gsy h PRO 405 Ca -0.36 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.20 3gsy h PRO 405 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3gsy h PRO 405 CO 0.57 0.02 1.20 0.12 -0.21 0.00 0.00 178.00 179.70 3gsy s PHE 406 N -4.84 1.74 -1.54 0.65 5.36 -1.26 -4.73 117.98 113.36 3gsy s PHE 406 Ca -0.05 0.22 0.22 0.00 -0.96 0.00 0.00 56.93 56.37 3gsy s PHE 406 Cb 0.16 -4.02 -0.03 0.00 -0.34 0.00 0.00 43.02 38.80 3gsy s PHE 406 CO 0.62 -3.95 1.06 -0.35 -1.46 0.00 0.00 175.22 171.14 3gsy n PRO 407 N 7.66 0.63 -2.85 10.12 -0.04 -1.26 -4.78 135.00 144.48 3gsy n PRO 407 Ca 0.20 -0.51 -0.43 0.00 -0.04 0.00 0.00 63.50 62.72 3gsy n PRO 407 Cb 0.44 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 3gsy n PRO 407 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3gsy s HIS 408 N -2.72 3.16 0.00 0.54 3.76 -1.26 -4.64 115.29 114.13 3gsy s HIS 408 Ca 0.14 -1.65 0.00 0.00 -0.15 0.00 0.00 55.06 53.40 3gsy s HIS 408 Cb 0.17 -4.40 0.00 0.00 1.11 0.00 0.00 32.58 29.46 3gsy s HIS 408 CO 0.70 -1.55 0.00 0.54 -0.85 0.00 0.00 174.74 173.58 3gsy n ARG 409 N 6.71 0.00 -1.59 1.40 5.12 -1.26 -4.83 116.66 122.20 3gsy n ARG 409 Ca 0.33 0.00 -0.46 0.00 -1.93 0.00 0.00 57.85 55.79 3gsy n ARG 409 Cb 0.46 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.74 3gsy n ARG 409 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3gsy n SER 410 N 0.00 1.44 0.00 0.55 2.88 -1.22 -1.42 113.62 115.85 3gsy n SER 410 Ca 0.00 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 3gsy n SER 410 Cb 0.00 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 3gsy n SER 410 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gsy n GLY 411 N 1.59 3.32 3.69 0.46 0.00 -1.26 -5.03 105.19 107.95 3gsy n GLY 411 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3gsy n GLY 411 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gsy s THR 412 N -2.40 4.92 -0.19 2.61 2.01 -0.50 -4.49 115.64 117.60 3gsy s THR 412 Ca 0.00 1.63 -0.15 0.00 0.31 0.00 0.00 61.69 63.47 3gsy s THR 412 Cb 0.00 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.30 3gsy s THR 412 CO 0.00 0.10 -0.21 0.54 -0.69 0.00 0.00 174.62 174.36 3gsy n ARG 413 N 4.69 0.52 -4.21 4.92 1.74 0.00 -4.16 116.66 120.17 3gsy n ARG 413 Ca 0.03 0.38 -0.14 0.00 -0.77 0.00 0.00 57.85 57.34 3gsy n ARG 413 Cb 0.50 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 3gsy n ARG 413 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gsy s LEU 414 N -7.92 2.46 -0.13 0.55 1.43 -1.25 -0.74 118.68 113.08 3gsy s LEU 414 Ca -0.27 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 51.95 3gsy s LEU 414 Cb 0.06 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.94 3gsy s LEU 414 CO 0.40 -0.29 -0.17 -0.32 0.23 0.00 0.00 176.35 176.21 3gsy s MET 415 N -3.20 3.22 -0.17 1.70 -2.45 0.19 -1.39 119.30 117.21 3gsy s MET 415 Ca 0.10 -0.76 0.01 0.00 -1.25 0.00 0.00 55.69 53.78 3gsy s MET 415 Cb -0.01 -2.54 0.03 0.00 1.25 0.00 0.00 34.83 33.56 3gsy s MET 415 CO 0.00 0.12 -0.12 0.08 1.05 0.00 0.00 175.02 176.15 3gsy s VAL 416 N 0.55 1.59 -0.11 10.11 1.01 0.13 -1.43 120.40 132.24 3gsy s VAL 416 Ca -0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 3gsy s VAL 416 Cb -0.16 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3gsy s VAL 416 CO 0.04 0.34 -0.00 -0.70 0.00 0.00 0.00 175.10 174.78 3gsy s GLU 417 N 1.45 3.26 -0.15 2.72 2.12 -0.01 -0.41 118.70 127.68 3gsy s GLU 417 Ca 0.03 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.92 3gsy s GLU 417 Cb -0.14 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 3gsy s GLU 417 CO -0.10 0.54 -0.14 0.71 -0.54 0.00 0.00 175.26 175.73 3gsy s TYR 418 N -0.43 2.79 -0.02 5.30 2.02 0.10 -1.43 117.35 125.68 3gsy s TYR 418 Ca 0.08 -0.90 0.04 0.00 -0.37 0.00 0.00 57.07 55.92 3gsy s TYR 418 Cb -0.12 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 3gsy s TYR 418 CO 0.02 -0.39 -0.14 0.42 -1.57 0.00 0.00 175.55 173.89 3gsy s ILE 419 N 0.67 1.12 -0.05 2.71 1.09 0.09 -1.07 121.20 125.76 3gsy s ILE 419 Ca -0.07 -0.59 0.04 0.00 -1.10 0.00 0.00 60.65 58.92 3gsy s ILE 419 Cb -0.16 -0.94 -0.00 0.00 -1.06 0.00 0.00 42.46 40.30 3gsy s ILE 419 CO 0.02 0.32 -0.18 0.54 -0.10 0.00 0.00 174.94 175.54 3gsy s VAL 420 N -0.24 1.51 -0.00 2.92 0.11 -0.52 -0.54 120.40 123.65 3gsy s VAL 420 Ca 0.04 -0.75 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 3gsy s VAL 420 Cb -0.06 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.48 3gsy s VAL 420 CO -0.00 0.43 0.11 0.00 -3.33 0.00 0.00 175.10 172.31 3gsy s ALA 421 N 0.14 -0.26 0.04 1.54 0.00 -0.96 -1.52 121.76 120.74 3gsy s ALA 421 Ca -0.07 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.61 3gsy s ALA 421 Cb -0.13 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.08 3gsy s ALA 421 CO 0.03 -0.17 0.37 1.67 0.00 0.00 0.00 175.76 177.66 3gsy s TRP 422 N -1.13 -0.21 0.61 0.00 -2.14 -0.42 -4.79 118.94 110.86 3gsy s TRP 422 Ca -0.12 0.15 0.01 0.00 2.66 0.00 0.00 56.10 58.80 3gsy s TRP 422 Cb -0.07 0.17 0.07 0.00 -3.10 0.00 0.00 33.47 30.54 3gsy s TRP 422 CO 0.01 -0.53 0.85 0.54 -2.66 0.00 0.00 176.95 175.15 3gsy s ASN 423 N -1.97 4.95 0.49 -2.66 2.20 -1.26 -1.74 114.94 114.96 3gsy s ASN 423 Ca -0.06 -0.18 0.15 0.00 -0.94 0.00 0.00 52.86 51.83 3gsy s ASN 423 Cb -0.01 -0.52 1.18 0.00 -2.00 0.00 0.00 41.25 39.90 3gsy s ASN 423 CO -0.02 -1.40 2.09 -0.61 -2.94 0.00 0.00 177.10 174.23 3gsy h GLN 424 N -0.12 0.15 0.00 3.55 4.15 -2.00 -0.91 115.11 119.93 3gsy h GLN 424 Ca -0.39 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.02 3gsy h GLN 424 Cb 1.29 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3gsy h GLN 424 CO 0.47 0.10 0.00 -1.13 -1.93 0.00 0.00 178.83 176.34 3gsy n SER 425 N -4.50 0.04 -0.80 -0.69 3.41 -1.26 -2.48 113.62 107.35 3gsy n SER 425 Ca 0.01 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.20 3gsy n SER 425 Cb 0.19 -0.52 0.19 0.00 -0.26 0.00 0.00 64.21 63.81 3gsy n SER 425 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gsy n GLU 426 N -1.54 2.87 0.10 4.33 1.02 -0.35 -4.74 120.64 122.32 3gsy n GLU 426 Ca 0.04 -2.21 0.17 0.00 -0.02 0.00 0.00 57.16 55.14 3gsy n GLU 426 Cb 0.20 -1.35 0.71 0.00 -0.02 0.00 0.00 31.44 30.97 3gsy n GLU 426 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3gsy h GLN 427 N 2.47 0.00 0.00 3.49 4.20 -1.54 -1.21 115.11 122.52 3gsy h GLN 427 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gsy h GLN 427 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3gsy h GLN 427 CO 0.01 0.00 0.00 1.57 -0.67 0.00 0.00 178.83 179.74 3gsy h LYS 428 N 0.00 0.00 -0.21 1.46 2.10 -1.86 -2.21 116.57 115.84 3gsy h LYS 428 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 3gsy h LYS 428 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 3gsy h LYS 428 CO -0.00 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.08 3gsy n LYS 429 N -2.86 1.91 -0.18 0.07 5.02 -0.46 -4.46 118.16 117.20 3gsy n LYS 429 Ca 0.00 -1.37 -0.01 0.00 -2.02 0.00 0.00 58.31 54.91 3gsy n LYS 429 Cb 0.24 -1.42 0.06 0.00 -0.02 0.00 0.00 35.03 33.89 3gsy n LYS 429 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3gsy h LYS 430 N 2.76 0.05 -0.69 1.97 3.64 -1.52 0.18 116.57 122.96 3gsy h LYS 430 Ca 0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gsy h LYS 430 Cb 0.61 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3gsy h LYS 430 CO 0.00 0.03 0.43 1.15 -2.27 0.00 0.00 179.45 178.79 3gsy h THR 431 N 0.05 1.19 -0.64 1.00 2.02 -1.84 -1.16 112.91 113.53 3gsy h THR 431 Ca 0.28 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 3gsy h THR 431 Cb 0.44 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3gsy h THR 431 CO -0.54 0.19 0.22 -0.08 0.37 0.00 0.00 175.52 175.68 3gsy h GLU 432 N 0.94 0.98 -0.27 6.66 4.81 -1.42 -1.29 114.58 124.99 3gsy h GLU 432 Ca 0.25 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3gsy h GLU 432 Cb -0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3gsy h GLU 432 CO -0.05 0.85 0.16 0.74 -0.73 0.00 0.00 179.01 179.98 3gsy h PHE 433 N 0.91 0.30 -0.35 0.92 0.04 -0.23 -1.21 116.94 117.32 3gsy h PHE 433 Ca 0.21 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 3gsy h PHE 433 Cb 0.27 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3gsy h PHE 433 CO 0.02 0.18 -0.16 -0.07 -0.60 0.00 0.00 178.31 177.68 3gsy h LEU 434 N 0.33 0.63 -0.72 1.54 3.38 -1.01 -2.12 115.31 117.34 3gsy h LEU 434 Ca 0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3gsy h LEU 434 Cb -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3gsy h LEU 434 CO -0.04 0.80 0.25 -0.78 0.09 0.00 0.00 178.44 178.76 3gsy h ASP 435 N 0.58 1.03 -0.34 -0.43 3.58 -1.01 -1.40 116.42 118.43 3gsy h ASP 435 Ca 0.10 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.35 3gsy h ASP 435 Cb 0.60 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 3gsy h ASP 435 CO 0.04 0.95 0.22 -0.25 -2.88 0.00 0.00 179.24 177.32 3gsy h TRP 436 N 1.06 0.43 -0.59 0.28 7.01 -0.67 -0.75 115.95 122.72 3gsy h TRP 436 Ca 0.24 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.21 3gsy h TRP 436 Cb 0.27 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 3gsy h TRP 436 CO 0.02 0.28 0.25 1.25 -2.79 0.00 0.00 178.44 177.46 3gsy h LEU 437 N 0.46 0.80 -0.73 0.65 5.85 -1.23 -0.81 115.31 120.29 3gsy h LEU 437 Ca 0.12 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3gsy h LEU 437 Cb -0.04 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 3gsy h LEU 437 CO -0.03 0.73 0.44 -0.08 -0.34 0.00 0.00 178.44 179.17 3gsy h GLU 438 N 0.81 0.82 -0.19 1.25 4.81 -0.95 -1.20 114.58 119.93 3gsy h GLU 438 Ca 0.20 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 3gsy h GLU 438 Cb 0.18 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3gsy h GLU 438 CO -0.02 0.54 -0.47 0.87 -0.73 0.00 0.00 179.01 179.21 3gsy h LYS 439 N 0.85 0.49 -0.43 1.92 1.57 -0.62 -1.54 116.57 118.81 3gsy h LYS 439 Ca 0.30 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3gsy h LYS 439 Cb 0.08 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3gsy h LYS 439 CO -0.14 0.85 0.20 0.28 -0.57 0.00 0.00 179.45 180.08 3gsy h VAL 440 N 0.39 1.18 -0.66 0.50 2.07 -0.76 -0.14 116.25 118.83 3gsy h VAL 440 Ca 0.02 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 3gsy h VAL 440 Cb 0.97 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3gsy h VAL 440 CO 0.09 0.20 0.16 0.22 0.02 0.00 0.00 177.57 178.25 3gsy h TYR 441 N 0.55 1.09 -0.61 1.57 3.20 -1.01 -1.72 116.97 120.04 3gsy h TYR 441 Ca 0.15 -0.12 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3gsy h TYR 441 Cb 0.12 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 3gsy h TYR 441 CO -0.01 0.89 0.03 1.49 -1.64 0.00 0.00 178.16 178.92 3gsy h GLU 442 N 0.99 1.05 -0.78 1.82 4.57 -1.06 -2.85 114.58 118.33 3gsy h GLU 442 Ca 0.21 -0.32 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3gsy h GLU 442 Cb 0.35 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 3gsy h GLU 442 CO 0.00 1.01 0.51 0.35 -1.18 0.00 0.00 179.01 179.71 3gsy h PHE 443 N 0.95 0.96 0.00 0.92 3.57 -0.48 -2.74 116.94 120.12 3gsy h PHE 443 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3gsy h PHE 443 Cb 0.52 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3gsy h PHE 443 CO 0.04 0.59 -0.01 -1.33 -2.23 0.00 0.00 178.31 175.36 3gsy n MET 444 N -4.43 0.25 -0.32 1.11 2.81 -0.70 -4.31 117.12 111.53 3gsy n MET 444 Ca 0.09 0.20 0.03 0.00 -1.81 0.00 0.00 57.70 56.21 3gsy n MET 444 Cb 0.06 -1.79 0.10 0.00 -0.71 0.00 0.00 33.22 30.88 3gsy n MET 444 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3gsy h LYS 445 N 0.00 -0.01 0.00 0.03 3.64 -1.28 -0.64 116.57 118.31 3gsy h LYS 445 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gsy h LYS 445 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3gsy h LYS 445 CO 0.00 -0.01 0.00 -1.35 -2.27 0.00 0.00 179.45 175.82 3gsy h PRO 446 N -0.01 0.00 0.00 1.90 0.11 -1.82 -3.19 132.00 128.99 3gsy h PRO 446 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3gsy h PRO 446 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3gsy h PRO 446 CO -0.92 0.00 -1.50 1.19 -0.21 0.00 0.00 178.00 176.57 3gsy n PHE 447 N -2.44 0.12 -3.45 0.65 3.72 -0.26 -4.99 117.46 110.81 3gsy n PHE 447 Ca 0.02 0.03 -0.13 0.00 -0.05 0.00 0.00 57.45 57.33 3gsy n PHE 447 Cb 0.26 -0.40 0.01 0.00 -0.94 0.00 0.00 39.48 38.41 3gsy n PHE 447 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3gsy n VAL 448 N -2.04 0.00 -1.65 -4.37 0.24 -1.16 -4.75 118.33 104.60 3gsy n VAL 448 Ca -0.01 -1.13 -0.39 0.00 -2.04 0.00 0.00 64.34 60.78 3gsy n VAL 448 Cb 0.48 -0.43 0.04 0.00 -1.47 0.00 0.00 33.84 32.46 3gsy n VAL 448 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gsy n SER 449 N -2.19 1.51 -4.04 -1.34 3.41 -0.72 -4.87 113.62 105.39 3gsy n SER 449 Ca 0.03 0.93 -0.08 0.00 -0.26 0.00 0.00 58.87 59.49 3gsy n SER 449 Cb 0.33 -1.43 -0.11 0.00 -0.26 0.00 0.00 64.21 62.74 3gsy n SER 449 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gsy s LYS 450 N -2.54 0.48 -1.11 4.33 1.02 -1.26 -4.21 119.74 116.44 3gsy s LYS 450 Ca 0.70 -0.92 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 3gsy s LYS 450 Cb -0.46 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 3gsy s LYS 450 CO 0.51 -0.07 0.88 0.09 -0.92 0.00 0.00 175.35 175.84 3gsy n ASN 451 N 0.85 -5.30 -4.99 2.83 3.02 -1.26 -4.52 115.26 105.88 3gsy n ASN 451 Ca -0.19 -0.78 -0.19 0.00 -0.03 0.00 0.00 54.58 53.39 3gsy n ASN 451 Cb 0.58 -4.68 0.02 0.00 -0.61 0.00 0.00 39.78 35.09 3gsy n ASN 451 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gsy s PRO 452 N -5.01 2.78 -0.20 3.52 0.04 -1.26 -5.10 135.00 129.77 3gsy s PRO 452 Ca 0.37 -1.00 -0.29 0.00 0.04 0.00 0.00 61.00 60.12 3gsy s PRO 452 Cb -0.07 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 3gsy s PRO 452 CO 0.77 -0.39 1.42 0.50 0.04 0.00 0.00 177.00 179.35 3gsy s ARG 453 N -4.49 4.02 0.56 4.56 3.52 -1.26 -4.91 118.95 120.95 3gsy s ARG 453 Ca 0.54 1.61 -0.15 0.00 -0.13 0.00 0.00 55.73 57.60 3gsy s ARG 453 Cb -0.10 -3.90 -0.06 0.00 -1.56 0.00 0.00 34.95 29.33 3gsy s ARG 453 CO 0.35 -1.00 1.01 -0.51 -0.81 0.00 0.00 175.30 174.35 3gsy s LEU 454 N 4.27 3.52 0.00 -0.88 1.43 -1.26 -4.74 118.68 121.01 3gsy s LEU 454 Ca 0.62 1.63 0.02 0.00 -1.03 0.00 0.00 54.13 55.37 3gsy s LEU 454 Cb -0.23 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.48 3gsy s LEU 454 CO 0.23 -0.83 0.12 0.61 0.23 0.00 0.00 176.35 176.71 3gsy n GLY 455 N -1.55 3.42 2.73 -3.19 0.00 -0.20 -4.19 105.19 102.21 3gsy n GLY 455 Ca 0.07 -1.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 3gsy n GLY 455 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gsy s TYR 456 N -2.94 0.02 0.49 1.61 5.04 -1.26 -4.28 117.35 116.02 3gsy s TYR 456 Ca 0.13 0.26 0.20 0.00 -2.44 0.00 0.00 57.07 55.22 3gsy s TYR 456 Cb 0.00 -0.36 1.29 0.00 0.35 0.00 0.00 41.96 43.24 3gsy s TYR 456 CO 0.09 -0.16 2.09 -0.24 -1.34 0.00 0.00 175.55 175.99 3gsy h VAL 457 N 6.37 0.90 0.00 3.14 3.04 -1.83 0.23 116.25 128.10 3gsy h VAL 457 Ca -0.25 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3gsy h VAL 457 Cb 1.12 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 3gsy h VAL 457 CO 0.27 0.09 0.00 0.78 -1.01 0.00 0.00 177.57 177.71 3gsy h ASN 458 N 0.00 0.00 -1.64 3.17 2.35 -1.94 -2.63 115.58 114.89 3gsy h ASN 458 Ca -0.00 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 55.04 3gsy h ASN 458 Cb 0.18 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.24 3gsy h ASN 458 CO 0.01 0.00 0.60 1.57 -1.65 0.00 0.00 177.43 177.96 3gsy n HIS 459 N -2.44 3.09 -1.61 1.19 -0.00 0.81 -4.77 115.22 111.50 3gsy n HIS 459 Ca 0.02 -2.60 -0.48 0.00 0.46 0.00 0.00 57.72 55.12 3gsy n HIS 459 Cb 0.24 -1.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.08 3gsy n HIS 459 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 3gsy n ILE 460 N -0.62 0.88 -3.69 3.57 0.13 -0.99 -4.69 119.36 113.95 3gsy n ILE 460 Ca 0.53 -0.22 -0.28 0.00 -1.10 0.00 0.00 62.75 61.68 3gsy n ILE 460 Cb 0.44 -1.05 -0.16 0.00 -0.84 0.00 0.00 39.64 38.02 3gsy n ILE 460 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3gsy s ASP 461 N 0.11 3.03 0.00 9.51 -1.08 -1.26 -4.65 116.67 122.33 3gsy s ASP 461 Ca 0.72 -0.95 0.23 0.00 -0.52 0.00 0.00 52.55 52.03 3gsy s ASP 461 Cb -0.79 -0.54 1.10 0.00 -1.46 0.00 0.00 42.92 41.23 3gsy s ASP 461 CO 0.51 -0.34 1.75 0.18 0.52 0.00 0.00 175.17 177.79 3gsy n LEU 462 N 5.08 0.00 0.29 -1.34 4.77 -1.26 -2.55 117.00 122.00 3gsy n LEU 462 Ca -0.07 0.36 0.16 0.00 -0.03 0.00 0.00 56.01 56.42 3gsy n LEU 462 Cb 0.46 -0.36 0.90 0.00 -2.33 0.00 0.00 43.42 42.09 3gsy n LEU 462 CO 0.11 -0.08 1.09 0.44 -1.33 0.00 0.00 177.39 177.62 3gsy h ASP 463 N 0.00 0.00 0.82 -1.43 3.32 -2.01 -1.30 116.42 115.83 3gsy h ASP 463 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gsy h ASP 463 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3gsy h ASP 463 CO 0.00 0.04 0.00 -0.07 -1.72 0.00 0.00 179.24 177.49 3gsy h LEU 464 N 0.00 0.00 0.00 1.55 4.07 -1.93 -3.49 115.31 115.52 3gsy h LEU 464 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3gsy h LEU 464 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3gsy h LEU 464 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 3gsy n GLY 465 N 0.03 0.63 3.60 0.83 0.00 -0.49 -4.68 105.19 105.11 3gsy n GLY 465 Ca 0.02 -2.28 -0.07 0.00 0.00 0.00 0.00 46.02 43.68 3gsy n GLY 465 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gsy s GLY 466 N 0.00 -0.15 -0.12 -0.02 0.00 -1.26 -4.70 107.32 101.08 3gsy s GLY 466 Ca 0.00 2.27 -0.16 0.00 0.00 0.00 0.00 44.72 46.82 3gsy s GLY 466 CO 0.00 1.01 0.40 -0.42 0.00 0.00 0.00 173.10 174.09 3gsy s ILE 467 N -1.22 5.22 -0.53 0.90 -1.09 0.15 -5.01 121.20 119.62 3gsy s ILE 467 Ca 0.03 0.79 -0.19 0.00 -2.23 0.00 0.00 60.65 59.05 3gsy s ILE 467 Cb -0.01 -3.74 0.07 0.00 -1.58 0.00 0.00 42.46 37.20 3gsy s ILE 467 CO -0.03 0.38 0.65 -0.62 -1.23 0.00 0.00 174.94 174.09 3gsy s ASP 468 N 0.39 6.22 0.00 3.58 -1.08 -1.26 -4.41 116.67 120.10 3gsy s ASP 468 Ca 0.22 -1.00 0.13 0.00 -0.52 0.00 0.00 52.55 51.39 3gsy s ASP 468 Cb -0.14 -2.30 0.61 0.00 -1.46 0.00 0.00 42.92 39.63 3gsy s ASP 468 CO 0.08 -0.95 1.38 0.79 0.52 0.00 0.00 175.17 177.00 3gsy n TRP 469 N 6.25 0.00 1.20 -5.34 7.02 -1.26 -1.52 117.44 123.80 3gsy n TRP 469 Ca -0.07 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.54 3gsy n TRP 469 Cb 0.45 -0.40 0.32 0.00 -2.42 0.00 0.00 31.31 29.26 3gsy n TRP 469 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3gsy n GLY 470 N -0.16 0.55 3.39 6.99 0.00 -1.26 -4.83 105.19 109.86 3gsy n GLY 470 Ca 0.05 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3gsy n GLY 470 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gsy s ASN 471 N -1.94 5.85 0.18 1.61 3.84 -0.57 -4.99 114.94 118.92 3gsy s ASN 471 Ca 0.33 -1.04 -0.13 0.00 0.21 0.00 0.00 52.86 52.23 3gsy s ASN 471 Cb 0.20 -2.07 0.12 0.00 -0.55 0.00 0.00 41.25 38.96 3gsy s ASN 471 CO 0.31 -0.44 1.83 0.50 -2.79 0.00 0.00 177.10 176.51 3gsy h LYS 472 N 8.51 0.67 -0.34 0.43 1.63 -1.88 -1.05 116.57 124.54 3gsy h LYS 472 Ca -0.26 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.41 3gsy h LYS 472 Cb 1.11 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 3gsy h LYS 472 CO 0.71 0.44 -0.19 0.00 -3.45 0.00 0.00 179.45 176.96 3gsy h THR 473 N 0.69 1.26 -0.13 1.00 1.03 -1.96 -1.22 112.91 113.58 3gsy h THR 473 Ca 0.22 -1.22 -0.05 0.00 -0.01 0.00 0.00 66.41 65.36 3gsy h THR 473 Cb 0.01 1.20 -0.00 0.00 -1.07 0.00 0.00 68.15 68.29 3gsy h THR 473 CO -0.09 0.40 -0.10 0.58 -0.01 0.00 0.00 175.52 176.30 3gsy h VAL 474 N 0.56 1.34 -0.85 0.00 2.07 -1.80 -3.20 116.25 114.37 3gsy h VAL 474 Ca 0.09 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3gsy h VAL 474 Cb 0.64 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3gsy h VAL 474 CO 0.04 0.35 0.50 0.58 0.02 0.00 0.00 177.57 179.07 3gsy h VAL 475 N -0.07 1.24 -0.84 2.57 2.07 -0.98 -1.02 116.25 119.21 3gsy h VAL 475 Ca 0.02 -0.52 0.16 0.00 0.82 0.00 0.00 66.70 67.18 3gsy h VAL 475 Cb 0.60 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 3gsy h VAL 475 CO 0.03 0.25 0.55 0.78 0.02 0.00 0.00 177.57 179.19 3gsy h ASN 476 N 1.17 0.51 -0.49 0.57 2.35 -1.23 -1.78 115.58 116.67 3gsy h ASN 476 Ca 0.30 0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.92 3gsy h ASN 476 Cb -0.04 -0.07 -0.10 0.00 0.05 0.00 0.00 38.32 38.17 3gsy h ASN 476 CO -0.06 0.25 0.11 -3.20 -1.65 0.00 0.00 177.43 172.88 3gsy n ASN 477 N -4.52 3.71 -0.26 5.81 5.15 -0.47 -4.78 115.26 119.91 3gsy n ASN 477 Ca 0.16 -3.37 0.01 0.00 -0.60 0.00 0.00 54.58 50.79 3gsy n ASN 477 Cb 0.53 -0.66 0.23 0.00 -0.53 0.00 0.00 39.78 39.35 3gsy n ASN 477 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gsy h ALA 478 N 1.73 1.45 0.03 5.20 0.00 -0.50 -1.89 119.26 125.29 3gsy h ALA 478 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gsy h ALA 478 Cb 1.89 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3gsy h ALA 478 CO 0.50 0.48 -0.01 0.82 0.00 0.00 0.00 179.25 181.04 3gsy h ILE 479 N 1.07 1.13 -0.11 0.00 2.04 -1.86 -0.18 117.51 119.60 3gsy h ILE 479 Ca 0.31 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3gsy h ILE 479 Cb -0.05 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3gsy h ILE 479 CO -0.08 0.13 0.06 -0.08 0.00 0.00 0.00 178.15 178.18 3gsy h GLU 480 N -0.26 0.15 -0.71 2.37 4.81 -1.89 -2.42 114.58 116.63 3gsy h GLU 480 Ca -0.00 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3gsy h GLU 480 Cb 0.24 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 3gsy h GLU 480 CO 0.01 0.15 0.41 0.82 -0.73 0.00 0.00 179.01 179.68 3gsy h ILE 481 N 0.10 1.01 0.00 2.32 2.04 -1.31 -1.79 117.51 119.88 3gsy h ILE 481 Ca 0.04 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3gsy h ILE 481 Cb 0.05 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3gsy h ILE 481 CO -0.01 0.14 0.00 -1.20 0.00 0.00 0.00 178.15 177.08 3gsy n SER 482 N -4.73 0.47 0.26 1.72 7.64 -0.08 -2.78 113.62 116.11 3gsy n SER 482 Ca 0.09 0.59 0.12 0.00 1.01 0.00 0.00 58.87 60.68 3gsy n SER 482 Cb 0.16 -0.70 0.71 0.00 -1.01 0.00 0.00 64.21 63.37 3gsy n SER 482 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3gsy h ARG 483 N 0.00 0.00 -0.17 1.43 2.43 -0.82 0.13 114.38 117.38 3gsy h ARG 483 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3gsy h ARG 483 Cb 0.44 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 3gsy h ARG 483 CO 0.00 0.12 -0.15 1.03 -1.51 0.00 0.00 179.97 179.46 3gsy h SER 484 N 0.00 -0.48 0.27 -3.80 0.87 -1.67 -1.41 113.55 107.34 3gsy h SER 484 Ca -0.00 0.09 -0.33 0.00 -1.23 0.00 0.00 61.79 60.32 3gsy h SER 484 Cb 0.32 0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 3gsy h SER 484 CO 0.02 -0.19 -1.97 -2.67 -0.53 0.00 0.00 176.83 171.49 3gsy n TRP 485 N -5.30 0.81 -0.13 2.24 2.14 -1.16 -4.07 117.44 111.98 3gsy n TRP 485 Ca -0.02 0.24 -0.05 0.00 2.07 0.00 0.00 57.50 59.74 3gsy n TRP 485 Cb 0.22 -1.13 0.03 0.00 -0.81 0.00 0.00 31.31 29.62 3gsy n TRP 485 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3gsy h GLY 486 N 2.86 0.52 2.00 -1.67 0.00 -0.66 -0.86 103.07 105.26 3gsy h GLY 486 Ca -0.39 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 3gsy h GLY 486 CO 0.06 0.01 -0.44 0.83 0.00 0.00 0.00 176.54 177.00 3gsy h GLU 487 N 0.29 0.00 -0.64 4.80 5.08 -1.47 -0.43 114.58 122.21 3gsy h GLU 487 Ca 0.19 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3gsy h GLU 487 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3gsy h GLU 487 CO -0.21 0.44 0.07 0.77 -1.00 0.00 0.00 179.01 179.08 3gsy h SER 488 N 0.00 1.05 0.71 1.42 0.02 -1.47 0.11 113.55 115.39 3gsy h SER 488 Ca -0.00 -0.28 -0.26 0.00 -0.84 0.00 0.00 61.79 60.41 3gsy h SER 488 Cb 1.02 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 3gsy h SER 488 CO 0.06 1.06 -1.23 1.88 -1.14 0.00 0.00 176.83 177.46 3gsy h TYR 489 N 1.00 0.32 0.00 3.45 0.05 -1.05 -0.50 116.97 120.24 3gsy h TYR 489 Ca 0.19 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.74 3gsy h TYR 489 Cb 0.48 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3gsy h TYR 489 CO 0.04 1.20 0.00 1.19 -1.05 0.00 0.00 178.16 179.53 3gsy n PHE 490 N -3.45 0.00 0.00 4.88 3.72 -0.18 -4.43 117.46 118.01 3gsy n PHE 490 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3gsy n PHE 490 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 3gsy n PHE 490 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3gsy n LEU 491 N -0.32 0.00 0.00 4.37 4.77 0.38 -0.71 117.00 125.49 3gsy n LEU 491 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3gsy n LEU 491 Cb 0.05 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.57 3gsy n LEU 491 CO 0.00 0.00 0.77 -1.20 -1.33 0.00 0.00 177.39 175.63 3gsy n SER 492 N 1.86 0.00 0.01 -1.43 7.64 -1.26 -2.06 113.62 118.38 3gsy n SER 492 Ca 0.00 0.12 0.13 0.00 1.01 0.00 0.00 58.87 60.13 3gsy n SER 492 Cb 0.00 -0.32 0.57 0.00 -1.01 0.00 0.00 64.21 63.45 3gsy n SER 492 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gsy n ASN 493 N -1.32 0.07 -0.26 6.43 3.02 0.11 -3.88 115.26 119.43 3gsy n ASN 493 Ca 0.08 0.51 0.01 0.00 -0.03 0.00 0.00 54.58 55.15 3gsy n ASN 493 Cb 0.15 -0.53 0.14 0.00 -0.61 0.00 0.00 39.78 38.94 3gsy n ASN 493 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3gsy h TYR 494 N 0.00 0.75 -0.15 3.10 3.20 -1.52 -2.00 116.97 120.36 3gsy h TYR 494 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3gsy h TYR 494 Cb 0.49 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3gsy h TYR 494 CO 0.00 0.31 0.09 0.93 -1.64 0.00 0.00 178.16 177.86 3gsy h GLU 495 N 0.72 0.19 -0.46 1.82 3.07 -1.83 -1.58 114.58 116.51 3gsy h GLU 495 Ca 0.36 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.14 3gsy h GLU 495 Cb 0.31 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 3gsy h GLU 495 CO -0.24 0.15 0.02 -0.09 -1.40 0.00 0.00 179.01 177.45 3gsy h ARG 496 N 0.18 0.75 -0.66 2.33 2.43 -1.76 -2.41 114.38 115.24 3gsy h ARG 496 Ca 0.05 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3gsy h ARG 496 Cb -0.00 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3gsy h ARG 496 CO -0.01 0.75 0.40 -0.07 -1.51 0.00 0.00 179.97 179.53 3gsy h LEU 497 N 0.70 0.65 -0.73 3.80 3.38 -0.96 -0.41 115.31 121.74 3gsy h LEU 497 Ca 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3gsy h LEU 497 Cb 0.41 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3gsy h LEU 497 CO 0.01 0.45 0.37 0.40 0.09 0.00 0.00 178.44 179.76 3gsy h ILE 498 N 0.78 1.23 -0.56 1.22 2.04 -0.95 0.66 117.51 121.94 3gsy h ILE 498 Ca 0.27 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 3gsy h ILE 498 Cb 0.05 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3gsy h ILE 498 CO -0.12 0.27 -0.02 0.03 0.00 0.00 0.00 178.15 178.31 3gsy h ARG 499 N 1.01 1.01 -0.75 2.37 3.08 -0.99 -1.81 114.38 118.30 3gsy h ARG 499 Ca 0.25 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3gsy h ARG 499 Cb 0.09 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3gsy h ARG 499 CO -0.04 1.01 0.26 0.00 -1.07 0.00 0.00 179.97 180.14 3gsy h ALA 500 N 0.96 0.98 -0.45 0.04 0.00 -0.76 -2.10 119.26 117.94 3gsy h ALA 500 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gsy h ALA 500 Cb 0.57 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3gsy h ALA 500 CO 0.03 0.64 0.29 -0.22 0.00 0.00 0.00 179.25 179.99 3gsy h LYS 501 N 1.11 0.59 -0.40 0.00 1.63 -0.62 -1.40 116.57 117.48 3gsy h LYS 501 Ca 0.25 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 3gsy h LYS 501 Cb 0.27 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3gsy h LYS 501 CO -0.01 0.41 0.07 1.15 -3.45 0.00 0.00 179.45 177.62 3gsy h THR 502 N 0.60 1.19 -0.11 1.00 2.02 -1.15 0.11 112.91 116.56 3gsy h THR 502 Ca 0.16 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 3gsy h THR 502 Cb -0.04 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3gsy h THR 502 CO -0.03 0.26 -0.14 0.25 0.37 0.00 0.00 175.52 176.23 3gsy h LEU 503 N 0.59 0.32 0.00 2.58 5.85 -0.95 -3.17 115.31 120.53 3gsy h LEU 503 Ca 0.13 -0.50 -0.15 0.00 0.84 0.00 0.00 57.88 58.20 3gsy h LEU 503 Cb 0.27 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3gsy h LEU 503 CO 0.00 0.76 -1.63 0.00 -0.34 0.00 0.00 178.44 177.23 3gsy n ILE 504 N -4.59 0.93 -3.03 4.05 0.13 -0.57 -4.61 119.36 111.67 3gsy n ILE 504 Ca -0.07 -0.67 -0.15 0.00 -1.10 0.00 0.00 62.75 60.77 3gsy n ILE 504 Cb 0.36 -0.51 0.00 0.00 -0.84 0.00 0.00 39.64 38.65 3gsy n ILE 504 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 3gsy n ASP 505 N -2.72 0.37 0.21 9.51 2.03 0.36 -4.51 116.55 121.78 3gsy n ASP 505 Ca -0.11 -3.05 0.13 0.00 0.52 0.00 0.00 54.79 52.28 3gsy n ASP 505 Cb 0.80 -0.18 0.73 0.00 -0.72 0.00 0.00 41.12 41.76 3gsy n ASP 505 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3gsy h PRO 506 N 2.97 0.00 -0.14 -0.67 0.13 -1.60 -0.67 132.00 132.03 3gsy h PRO 506 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3gsy h PRO 506 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3gsy h PRO 506 CO 0.43 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.29 3gsy n ASN 507 N -4.25 1.89 -3.56 1.44 3.02 -1.26 -4.91 115.26 107.63 3gsy n ASN 507 Ca 0.00 -1.70 -0.21 0.00 -0.03 0.00 0.00 54.58 52.64 3gsy n ASN 507 Cb 0.23 -0.08 0.08 0.00 -0.61 0.00 0.00 39.78 39.40 3gsy n ASN 507 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3gsy n ASN 508 N 0.47 -4.07 0.12 6.41 5.15 -0.26 -4.89 115.26 118.19 3gsy n ASN 508 Ca 0.17 -0.61 -0.00 0.00 -0.60 0.00 0.00 54.58 53.54 3gsy n ASN 508 Cb 0.38 -4.92 0.28 0.00 -0.53 0.00 0.00 39.78 34.99 3gsy n ASN 508 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3gsy h VAL 509 N -2.27 1.28 -3.39 3.44 2.07 -1.93 -3.38 116.25 112.07 3gsy h VAL 509 Ca -0.58 -1.36 -0.72 0.00 0.82 0.00 0.00 66.70 64.86 3gsy h VAL 509 Cb 1.36 1.62 -0.29 0.00 -1.52 0.00 0.00 31.29 32.46 3gsy h VAL 509 CO 0.54 0.40 -0.44 -0.36 0.02 0.00 0.00 177.57 177.74 3gsy s PHE 510 N -4.24 3.38 0.04 1.57 0.08 -1.26 -4.53 117.98 113.01 3gsy s PHE 510 Ca -0.04 -1.68 -0.06 0.00 0.12 0.00 0.00 56.93 55.27 3gsy s PHE 510 Cb 0.14 -3.17 -0.01 0.00 -0.57 0.00 0.00 43.02 39.41 3gsy s PHE 510 CO 0.75 -0.91 0.12 0.54 -0.10 0.00 0.00 175.22 175.63 3gsy s ASN 511 N 2.33 0.14 0.39 1.36 2.20 -1.21 -4.38 114.94 115.77 3gsy s ASN 511 Ca 0.04 -0.48 -0.14 0.00 -0.94 0.00 0.00 52.86 51.35 3gsy s ASN 511 Cb -0.24 0.24 0.05 0.00 -2.00 0.00 0.00 41.25 39.30 3gsy s ASN 511 CO 0.01 -0.51 0.77 -1.38 -2.94 0.00 0.00 177.10 173.05 3gsy s HIS 512 N -2.53 0.25 0.60 1.54 -3.43 -1.26 -4.97 115.29 105.49 3gsy s HIS 512 Ca -0.05 -0.91 0.35 0.00 -0.80 0.00 0.00 55.06 53.65 3gsy s HIS 512 Cb -0.01 0.76 2.04 0.00 -1.43 0.00 0.00 32.58 33.94 3gsy s HIS 512 CO -0.04 -1.57 2.29 -1.35 -2.00 0.00 0.00 174.74 172.07 3gsy h PRO 513 N 2.01 0.00 0.00 -0.38 0.11 -1.97 -2.60 132.00 129.16 3gsy h PRO 513 Ca -0.33 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 3gsy h PRO 513 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3gsy h PRO 513 CO 0.42 0.01 -0.30 1.04 -0.21 0.00 0.00 178.00 178.96 3gsy n GLN 514 N -3.53 1.26 -2.43 1.05 6.02 -1.26 0.32 117.38 118.81 3gsy n GLN 514 Ca -0.03 -2.76 -0.35 0.00 -0.01 0.00 0.00 57.00 53.85 3gsy n GLN 514 Cb 0.09 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 3gsy n GLN 514 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3gsy s SER 515 N -2.87 6.20 0.17 1.08 1.04 -0.98 -4.97 113.70 113.37 3gsy s SER 515 Ca 0.33 2.06 -0.32 0.00 0.48 0.00 0.00 55.95 58.50 3gsy s SER 515 Cb 0.31 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.74 3gsy s SER 515 CO -0.03 -0.89 1.71 -0.63 0.98 0.00 0.00 173.24 174.39 3gsy s ILE 516 N -1.82 2.34 0.31 -1.02 -1.09 -1.26 -4.89 121.20 113.76 3gsy s ILE 516 Ca 0.67 0.14 -0.28 0.00 -2.23 0.00 0.00 60.65 58.96 3gsy s ILE 516 Cb -0.21 -3.09 -0.09 0.00 -1.58 0.00 0.00 42.46 37.49 3gsy s ILE 516 CO 0.25 0.01 1.05 -2.84 -1.23 0.00 0.00 174.94 172.18 3gsy s PRO 517 N 1.64 4.54 0.47 2.79 0.02 -1.26 -5.00 135.00 138.21 3gsy s PRO 517 Ca 0.75 1.65 -0.19 0.00 0.02 0.00 0.00 61.00 63.23 3gsy s PRO 517 Cb -0.47 -3.00 -0.09 0.00 0.02 0.00 0.00 34.50 30.96 3gsy s PRO 517 CO 0.33 0.17 0.97 -1.25 -0.33 0.00 0.00 177.00 176.88 3gsy s PRO 518 N -1.73 4.08 0.45 5.54 0.05 -1.26 -4.73 135.00 137.40 3gsy s PRO 518 Ca 0.48 1.03 -0.23 0.00 0.05 0.00 0.00 61.00 62.33 3gsy s PRO 518 Cb -0.27 -2.16 -0.08 0.00 0.05 0.00 0.00 34.50 32.04 3gsy s PRO 518 CO 0.35 -0.16 1.15 -1.64 0.05 0.00 0.00 177.00 176.75 3gsy s MET 519 N -3.66 3.81 0.00 4.56 -1.94 -1.26 -4.98 119.30 115.83 3gsy s MET 519 Ca 0.60 1.73 0.08 0.00 -1.71 0.00 0.00 55.69 56.39 3gsy s MET 519 Cb -0.09 -2.41 0.47 0.00 2.01 0.00 0.00 34.83 34.80 3gsy s MET 519 CO 0.23 -0.50 0.93 0.00 -0.01 0.00 0.00 175.02 175.67