#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpg h PHE 3 N 0.00 -0.18 -3.35 6.00 3.57 -1.59 -3.37 116.94 118.02 3dpg h PHE 3 Ca 0.00 0.02 -0.56 0.00 3.53 0.00 0.00 57.97 60.95 3dpg h PHE 3 Cb 0.00 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 3dpg h PHE 3 CO 0.00 -0.12 0.24 0.99 -2.23 0.00 0.00 178.31 177.19 3dpg s THR 4 N -6.19 4.96 0.34 4.41 2.01 -1.26 -4.95 115.64 114.97 3dpg s THR 4 Ca -0.14 1.61 -0.28 0.00 0.31 0.00 0.00 61.69 63.19 3dpg s THR 4 Cb 0.10 -4.12 -0.12 0.00 0.01 0.00 0.00 72.50 68.37 3dpg s THR 4 CO 0.68 0.16 1.33 0.00 -0.69 0.00 0.00 174.62 176.09 3dpg n TYR 5 N 4.31 2.39 -3.66 4.92 9.36 -1.26 -5.01 117.16 128.21 3dpg n TYR 5 Ca 0.02 0.53 -0.21 0.00 3.32 0.00 0.00 57.90 61.56 3dpg n TYR 5 Cb 0.50 -2.44 -0.18 0.00 -0.63 0.00 0.00 39.34 36.60 3dpg n TYR 5 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3dpg s SER 6 N -0.26 1.38 0.22 2.98 0.15 -1.26 -4.97 113.70 111.94 3dpg s SER 6 Ca 0.55 -0.05 -0.08 0.00 0.70 0.00 0.00 55.95 57.07 3dpg s SER 6 Cb -0.56 -0.16 0.29 0.00 -1.71 0.00 0.00 66.02 63.88 3dpg s SER 6 CO 0.62 -0.27 1.78 0.16 1.20 0.00 0.00 173.24 176.73 3dpg h ILE 7 N 6.43 0.87 0.46 6.45 -2.65 -1.98 0.10 117.51 127.20 3dpg h ILE 7 Ca -0.13 -0.20 -0.01 0.00 1.03 0.00 0.00 64.86 65.55 3dpg h ILE 7 Cb 1.13 0.24 -0.02 0.00 -2.05 0.00 0.00 36.82 36.11 3dpg h ILE 7 CO 0.18 0.11 -0.40 -0.33 0.03 0.00 0.00 178.15 177.73 3dpg h GLU 8 N 0.58 -0.83 -0.86 0.16 3.07 -1.99 0.53 114.58 115.25 3dpg h GLU 8 Ca 0.32 0.06 0.17 0.00 -0.50 0.00 0.00 59.36 59.41 3dpg h GLU 8 Cb 0.31 0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.31 3dpg h GLU 8 CO -0.25 -0.56 0.42 0.00 -1.40 0.00 0.00 179.01 177.23 3dpg h ALA 9 N -0.53 1.31 -0.55 3.43 0.00 -1.91 -0.23 119.26 120.79 3dpg h ALA 9 Ca -0.05 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3dpg h ALA 9 Cb 0.75 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3dpg h ALA 9 CO -0.03 -0.16 -0.07 1.15 0.00 0.00 0.00 179.25 180.14 3dpg h THR 10 N 0.56 1.26 -0.39 0.00 2.02 0.14 -2.81 112.91 113.69 3dpg h THR 10 Ca 0.49 -1.21 -0.11 0.00 0.77 0.00 0.00 66.41 66.35 3dpg h THR 10 Cb 0.76 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3dpg h THR 10 CO -0.41 0.43 -0.20 0.03 0.37 0.00 0.00 175.52 175.75 3dpg h ARG 11 N 0.90 0.74 0.00 6.66 3.08 0.12 -2.68 114.38 123.20 3dpg h ARG 11 Ca 0.15 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3dpg h ARG 11 Cb 0.62 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3dpg h ARG 11 CO 0.04 0.88 0.00 0.09 -1.07 0.00 0.00 179.97 179.91 3dpg n ASN 12 N -4.13 0.00 -4.72 7.04 3.02 -0.21 -4.74 115.26 111.53 3dpg n ASN 12 Ca 0.00 0.49 -0.42 0.00 -0.03 0.00 0.00 54.58 54.63 3dpg n ASN 12 Cb 0.41 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 3dpg n ASN 12 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dpg s LEU 13 N -2.99 4.40 0.63 3.41 1.43 -1.01 -5.02 118.68 119.52 3dpg s LEU 13 Ca 0.04 1.79 -0.18 0.00 -1.03 0.00 0.00 54.13 54.75 3dpg s LEU 13 Cb 0.05 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3dpg s LEU 13 CO 0.15 -0.28 0.95 0.00 0.23 0.00 0.00 176.35 177.39 3dpg n ALA 14 N 3.65 0.06 -0.34 4.21 0.00 -1.26 -4.83 120.51 122.01 3dpg n ALA 14 Ca 0.06 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.58 3dpg n ALA 14 Cb 0.49 -2.10 0.31 0.00 0.00 0.00 0.00 19.45 18.15 3dpg n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dpg h THR 15 N 0.31 0.80 0.00 0.00 1.03 -1.96 0.11 112.91 113.21 3dpg h THR 15 Ca -0.48 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 65.64 3dpg h THR 15 Cb 1.36 -0.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 3dpg h THR 15 CO 0.50 0.15 0.00 0.35 -0.01 0.00 0.00 175.52 176.51 3dpg n THR 16 N -4.66 0.00 0.74 0.00 -2.24 -1.26 -2.82 114.28 104.04 3dpg n THR 16 Ca 0.21 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.06 3dpg n THR 16 Cb 0.48 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 3dpg n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dpg n GLU 17 N -1.00 1.77 -1.96 -0.78 1.02 0.37 -5.00 120.64 115.05 3dpg n GLU 17 Ca 0.22 -0.26 -0.38 0.00 -0.02 0.00 0.00 57.16 56.72 3dpg n GLU 17 Cb 0.10 -1.26 0.03 0.00 -0.02 0.00 0.00 31.44 30.29 3dpg n GLU 17 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3dpg s ARG 18 N -2.31 3.29 0.28 3.49 0.52 -1.13 -4.81 118.95 118.29 3dpg s ARG 18 Ca 0.08 2.03 0.03 0.00 -0.52 0.00 0.00 55.73 57.35 3dpg s ARG 18 Cb 0.12 -2.25 0.40 0.00 0.52 0.00 0.00 34.95 33.75 3dpg s ARG 18 CO 0.57 -1.01 1.70 0.00 0.02 0.00 0.00 175.30 176.59 3dpg s ILE 20 N -4.41 4.92 -0.22 0.00 -1.09 -1.26 0.15 121.20 119.30 3dpg s ILE 20 Ca -0.06 0.02 -0.07 0.00 -2.23 0.00 0.00 60.65 58.31 3dpg s ILE 20 Cb 0.14 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 3dpg s ILE 20 CO 0.79 0.41 0.05 -1.10 -1.23 0.00 0.00 174.94 173.86 3dpg s GLN 21 N 0.74 3.75 -0.37 2.79 -1.52 -0.50 -4.95 119.66 119.61 3dpg s GLN 21 Ca 0.05 -0.44 -0.29 0.00 -1.95 0.00 0.00 55.36 52.73 3dpg s GLN 21 Cb -0.13 -3.24 0.02 0.00 -0.22 0.00 0.00 33.01 29.44 3dpg s GLN 21 CO 0.02 -0.00 1.10 0.34 -0.25 0.00 0.00 175.29 176.49 3dpg s ASP 22 N 1.10 6.84 -0.11 5.90 -1.08 -1.26 -1.15 116.67 126.90 3dpg s ASP 22 Ca 0.04 0.87 0.16 0.00 -0.52 0.00 0.00 52.55 53.09 3dpg s ASP 22 Cb -0.14 -2.55 0.27 0.00 -1.46 0.00 0.00 42.92 39.04 3dpg s ASP 22 CO 0.03 -1.00 1.15 2.30 0.52 0.00 0.00 175.17 178.17 3dpg n ILE 23 N 6.18 1.77 0.13 4.11 -5.35 -0.76 -4.72 119.36 120.73 3dpg n ILE 23 Ca 0.12 -2.01 0.19 0.00 -0.27 0.00 0.00 62.75 60.78 3dpg n ILE 23 Cb 0.48 -0.11 0.77 0.00 -1.74 0.00 0.00 39.64 39.04 3dpg n ILE 23 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3dpg h ARG 24 N 0.21 0.00 -0.01 6.28 3.08 -1.79 -0.40 114.38 121.76 3dpg h ARG 24 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dpg h ARG 24 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3dpg h ARG 24 CO 0.02 0.00 -0.52 0.27 -1.07 0.00 0.00 179.97 178.67 3dpg n ASN 25 N -3.85 1.17 -3.15 7.04 6.94 -1.26 -4.59 115.26 117.55 3dpg n ASN 25 Ca 0.05 -1.08 -0.23 0.00 -0.02 0.00 0.00 54.58 53.30 3dpg n ASN 25 Cb 0.48 0.73 -0.05 0.00 -2.36 0.00 0.00 39.78 38.58 3dpg n ASN 25 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dpg n ALA 26 N -0.73 3.12 -0.60 -2.53 0.00 -0.21 -5.12 120.51 114.43 3dpg n ALA 26 Ca 0.05 -3.95 -0.30 0.00 0.00 0.00 0.00 53.44 49.23 3dpg n ALA 26 Cb 0.29 -0.85 0.20 0.00 0.00 0.00 0.00 19.45 19.09 3dpg n ALA 26 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dpg n PRO 27 N 0.44 -1.39 -3.57 0.00 -0.02 -0.91 -4.83 135.00 124.72 3dpg n PRO 27 Ca 0.27 -0.36 -0.36 0.00 -2.02 0.00 0.00 63.50 61.02 3dpg n PRO 27 Cb 0.52 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 3dpg n PRO 27 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dpg s VAL 28 N -2.48 5.32 0.18 -1.45 1.01 -1.26 -5.04 120.40 116.68 3dpg s VAL 28 Ca 0.66 0.47 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 3dpg s VAL 28 Cb -0.23 -3.60 -0.16 0.00 0.00 0.00 0.00 36.38 32.39 3dpg s VAL 28 CO 0.63 0.38 0.96 -1.14 0.00 0.00 0.00 175.10 175.93 3dpg n ARG 29 N 3.68 0.77 -0.83 2.72 3.00 -1.26 -0.02 116.66 124.72 3dpg n ARG 29 Ca -0.13 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 3dpg n ARG 29 Cb 0.52 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.36 3dpg n ARG 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3dpg n ASN 30 N 1.79 -2.38 -4.20 6.15 3.02 -1.26 -4.97 115.26 113.42 3dpg n ASN 30 Ca 0.15 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.45 3dpg n ASN 30 Cb 0.24 -2.01 -0.15 0.00 -0.61 0.00 0.00 39.78 37.26 3dpg n ASN 30 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dpg s ARG 31 N -0.95 1.46 -0.18 3.52 0.52 0.97 -5.01 118.95 119.27 3dpg s ARG 31 Ca 0.00 -0.72 0.16 0.00 -0.52 0.00 0.00 55.73 54.65 3dpg s ARG 31 Cb 0.00 -1.44 0.78 0.00 0.52 0.00 0.00 34.95 34.81 3dpg s ARG 31 CO 0.00 0.39 1.70 -1.13 0.02 0.00 0.00 175.30 176.28 3dpg n SER 32 N 2.44 5.33 -4.69 0.23 3.41 -1.26 -4.17 113.62 114.90 3dpg n SER 32 Ca -0.15 -2.73 -0.44 0.00 -0.26 0.00 0.00 58.87 55.28 3dpg n SER 32 Cb 0.54 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 3dpg n SER 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3dpg n THR 33 N 0.82 1.02 -0.07 6.66 -1.04 -1.26 -4.92 114.28 115.49 3dpg n THR 33 Ca 0.27 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.05 61.93 3dpg n THR 33 Cb 1.07 -1.60 -0.07 0.00 -1.82 0.00 0.00 70.33 67.90 3dpg n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dpg n GLN 34 N 2.00 0.71 -4.55 -2.82 6.02 -1.26 -4.69 117.38 112.77 3dpg n GLN 34 Ca 0.10 0.07 -0.21 0.00 -0.01 0.00 0.00 57.00 56.95 3dpg n GLN 34 Cb 0.33 -1.30 -0.15 0.00 1.02 0.00 0.00 30.24 30.14 3dpg n GLN 34 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3dpg s PHE 35 N -2.29 1.15 -0.05 1.08 0.08 -1.26 -1.82 117.98 114.86 3dpg s PHE 35 Ca -0.17 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.62 3dpg s PHE 35 Cb 0.05 -0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 41.70 3dpg s PHE 35 CO 0.37 -0.05 0.05 -0.65 -0.10 0.00 0.00 175.22 174.83 3dpg s GLN 36 N -0.16 3.04 -0.42 0.44 -0.21 -0.30 -4.85 119.66 117.21 3dpg s GLN 36 Ca 0.02 -0.43 -0.28 0.00 0.02 0.00 0.00 55.36 54.70 3dpg s GLN 36 Cb -0.06 -2.85 0.02 0.00 1.00 0.00 0.00 33.01 31.12 3dpg s GLN 36 CO -0.00 0.68 1.07 -0.51 -2.12 0.00 0.00 175.29 174.41 3dpg s LEU 37 N -1.29 3.81 -1.21 2.90 1.43 -1.26 -1.41 118.68 121.64 3dpg s LEU 37 Ca 0.18 0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 53.69 3dpg s LEU 37 Cb -0.12 -3.47 0.06 0.00 0.03 0.00 0.00 46.19 42.69 3dpg s LEU 37 CO 0.08 -1.07 1.67 0.00 0.23 0.00 0.00 176.35 177.26 3dpg s ALA 38 N 4.01 3.07 0.18 4.21 0.00 0.12 -4.86 121.76 128.50 3dpg s ALA 38 Ca 0.45 -2.69 -0.14 0.00 0.00 0.00 0.00 51.96 49.58 3dpg s ALA 38 Cb -0.10 -4.62 0.18 0.00 0.00 0.00 0.00 23.12 18.59 3dpg s ALA 38 CO 0.25 -3.49 1.69 0.37 0.00 0.00 0.00 175.76 174.58 3dpg h GLN 39 N 8.31 0.11 -0.55 0.00 4.15 -1.93 0.33 115.11 125.54 3dpg h GLN 39 Ca 0.37 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.70 3dpg h GLN 39 Cb 0.91 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 3dpg h GLN 39 CO 1.44 0.08 0.04 1.96 -1.93 0.00 0.00 178.83 180.41 3dpg h GLN 40 N 0.12 0.94 -0.56 1.69 4.20 -1.98 -1.46 115.11 118.07 3dpg h GLN 40 Ca 0.24 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3dpg h GLN 40 Cb 0.36 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3dpg h GLN 40 CO -0.40 0.93 0.17 -0.91 -0.67 0.00 0.00 178.83 177.95 3dpg h ASN 41 N 0.83 0.77 -0.55 1.46 2.35 -1.61 -1.64 115.58 117.19 3dpg h ASN 41 Ca 0.16 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3dpg h ASN 41 Cb 0.48 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3dpg h ASN 41 CO 0.02 0.74 -0.07 0.24 -1.65 0.00 0.00 177.43 176.71 3dpg h MET 42 N 0.81 1.02 -0.49 0.81 2.86 0.04 -0.13 114.93 119.86 3dpg h MET 42 Ca 0.18 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 3dpg h MET 42 Cb 0.25 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3dpg h MET 42 CO -0.01 1.05 0.09 -0.07 1.06 0.00 0.00 176.91 179.03 3dpg h LEU 43 N 0.90 0.77 -0.76 1.22 3.38 -1.08 0.20 115.31 119.92 3dpg h LEU 43 Ca 0.15 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3dpg h LEU 43 Cb 0.64 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3dpg h LEU 43 CO 0.04 0.82 0.20 0.00 0.09 0.00 0.00 178.44 179.60 3dpg h ALA 44 N 0.97 0.99 -0.06 1.53 0.00 -1.10 0.24 119.26 121.83 3dpg h ALA 44 Ca 0.15 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3dpg h ALA 44 Cb 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dpg h ALA 44 CO 0.01 0.66 -0.17 -0.92 0.00 0.00 0.00 179.25 178.84 3dpg h TYR 45 N 1.08 0.29 0.17 0.00 3.20 -0.90 -1.78 116.97 119.03 3dpg h TYR 45 Ca 0.23 -0.11 -0.31 0.00 3.14 0.00 0.00 58.73 61.68 3dpg h TYR 45 Cb 0.34 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.57 3dpg h TYR 45 CO 0.03 0.78 -1.42 1.15 -1.64 0.00 0.00 178.16 177.06 3dpg h THR 46 N -0.28 1.32 0.00 1.81 2.02 -0.94 -0.93 112.91 115.90 3dpg h THR 46 Ca -0.00 -2.86 -0.00 0.00 0.77 0.00 0.00 66.41 64.31 3dpg h THR 46 Cb 0.77 2.93 -0.01 0.00 -1.74 0.00 0.00 68.15 70.10 3dpg h THR 46 CO 0.04 0.85 -0.16 0.49 0.37 0.00 0.00 175.52 177.10 3dpg n PHE 47 N -3.58 0.00 0.27 3.16 3.72 0.82 -2.32 117.46 119.53 3dpg n PHE 47 Ca -0.14 -0.95 0.11 0.00 -0.05 0.00 0.00 57.45 56.42 3dpg n PHE 47 Cb 1.06 -0.15 0.75 0.00 -0.94 0.00 0.00 39.48 40.19 3dpg n PHE 47 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3dpg h GLY 48 N 0.18 0.00 -0.40 1.37 0.00 -1.22 0.55 103.07 103.54 3dpg h GLY 48 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3dpg h GLY 48 CO 0.00 0.00 -0.20 1.18 0.00 0.00 0.00 176.54 177.52 3dpg n GLU 49 N -4.01 0.77 -3.65 4.80 1.02 -1.26 -4.03 120.64 114.28 3dpg n GLU 49 Ca -0.03 -1.94 -0.18 0.00 -0.02 0.00 0.00 57.16 55.00 3dpg n GLU 49 Cb 0.15 -1.10 -0.16 0.00 -0.02 0.00 0.00 31.44 30.32 3dpg n GLU 49 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dpg s VAL 50 N -1.71 -0.25 -0.32 2.62 1.01 -1.06 -4.74 120.40 115.95 3dpg s VAL 50 Ca 0.19 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 3dpg s VAL 50 Cb 0.17 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 36.25 3dpg s VAL 50 CO 0.02 0.10 0.09 -0.63 0.00 0.00 0.00 175.10 174.68 3dpg s ILE 51 N 2.28 3.76 0.30 2.22 -1.09 -1.25 -4.40 121.20 123.02 3dpg s ILE 51 Ca 0.03 -1.02 -0.29 0.00 -2.23 0.00 0.00 60.65 57.15 3dpg s ILE 51 Cb -0.12 -3.07 -0.13 0.00 -1.58 0.00 0.00 42.46 37.56 3dpg s ILE 51 CO -0.06 -0.09 1.37 -2.65 -1.23 0.00 0.00 174.94 172.28 3dpg n PRO 52 N 4.81 2.17 0.00 2.79 -0.02 -1.26 -0.90 135.00 142.59 3dpg n PRO 52 Ca -0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3dpg n PRO 52 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3dpg n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dpg n GLY 53 N 1.43 2.57 0.54 -1.23 0.00 -1.26 -4.74 105.19 102.51 3dpg n GLY 53 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 3dpg n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dpg n PHE 54 N -2.00 0.00 -0.62 1.61 3.72 -0.08 -4.66 117.46 115.43 3dpg n PHE 54 Ca 0.00 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 3dpg n PHE 54 Cb 0.00 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3dpg n PHE 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dpg n ALA 55 N -0.52 0.00 -1.75 4.37 0.00 -1.10 -4.72 120.51 116.80 3dpg n ALA 55 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 3dpg n ALA 55 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.20 3dpg n ALA 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dpg s SER 56 N 0.95 5.88 0.55 0.00 1.04 -1.26 -4.82 113.70 116.04 3dpg s SER 56 Ca 0.00 2.04 0.24 0.00 0.48 0.00 0.00 55.95 58.72 3dpg s SER 56 Cb 0.00 -2.57 1.48 0.00 0.10 0.00 0.00 66.02 65.03 3dpg s SER 56 CO 0.00 -1.11 2.10 0.00 0.98 0.00 0.00 173.24 175.21 3dpg h ALA 57 N 1.14 2.05 -0.33 5.32 0.00 -1.99 -0.51 119.26 124.94 3dpg h ALA 57 Ca -0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3dpg h ALA 57 Cb 1.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3dpg h ALA 57 CO 0.57 -0.29 0.03 0.78 0.00 0.00 0.00 179.25 180.34 3dpg h GLY 58 N 0.00 0.61 1.22 0.00 0.00 -1.98 -2.67 103.07 100.25 3dpg h GLY 58 Ca 0.10 -0.42 -0.23 0.00 0.00 0.00 0.00 47.33 46.78 3dpg h GLY 58 CO -0.00 0.39 -0.85 -2.22 0.00 0.00 0.00 176.54 173.86 3dpg h ILE 59 N 0.39 1.28 -0.45 2.60 2.04 -1.52 -2.53 117.51 119.33 3dpg h ILE 59 Ca 0.10 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.90 3dpg h ILE 59 Cb 0.39 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 3dpg h ILE 59 CO 0.01 0.65 0.29 0.78 0.00 0.00 0.00 178.15 179.88 3dpg h ASN 60 N 0.49 0.52 -0.10 1.72 2.35 -1.21 -2.77 115.58 116.57 3dpg h ASN 60 Ca -0.07 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3dpg h ASN 60 Cb 1.49 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.73 3dpg h ASN 60 CO 0.17 0.38 0.00 0.61 -1.65 0.00 0.00 177.43 176.94 3dpg n GLY 61 N -1.45 0.89 3.77 2.83 0.00 -1.01 -1.86 105.19 108.36 3dpg n GLY 61 Ca 0.04 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 3dpg n GLY 61 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dpg s MET 62 N -1.65 3.68 -0.26 1.61 0.00 -0.95 -4.92 119.30 116.81 3dpg s MET 62 Ca 0.26 1.74 -0.39 0.00 0.00 0.00 0.00 55.69 57.30 3dpg s MET 62 Cb 0.18 -2.32 -0.15 0.00 0.00 0.00 0.00 34.83 32.54 3dpg s MET 62 CO 0.26 -0.61 1.77 -3.47 0.00 0.00 0.00 175.02 172.98 3dpg n ASP 63 N -0.65 2.54 0.22 1.11 -0.08 -1.26 -4.30 116.55 114.13 3dpg n ASP 63 Ca 0.08 1.05 0.08 0.00 -1.51 0.00 0.00 54.79 54.49 3dpg n ASP 63 Cb 0.49 -1.17 0.61 0.00 2.34 0.00 0.00 41.12 43.38 3dpg n ASP 63 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 3dpg h TYR 64 N 7.57 0.08 -0.77 -0.67 3.20 -0.97 0.83 116.97 126.23 3dpg h TYR 64 Ca -0.47 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.48 3dpg h TYR 64 Cb 1.31 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.49 3dpg h TYR 64 CO 0.79 0.05 0.44 0.00 -1.64 0.00 0.00 178.16 177.80 3dpg h ARG 65 N 0.08 0.76 -0.43 1.82 3.08 -1.85 -0.08 114.38 117.76 3dpg h ARG 65 Ca 0.02 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 3dpg h ARG 65 Cb -0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3dpg h ARG 65 CO -0.00 0.50 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.68 3dpg h ASP 66 N 0.78 0.96 -0.12 7.04 3.32 -1.21 -0.87 116.42 126.33 3dpg h ASP 66 Ca 0.36 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3dpg h ASP 66 Cb 0.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3dpg h ASP 66 CO -0.21 1.17 0.07 0.58 -1.72 0.00 0.00 179.24 179.13 3dpg h VAL 67 N 0.78 1.06 -0.16 -1.35 2.07 -1.06 -2.58 116.25 115.02 3dpg h VAL 67 Ca 0.09 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 3dpg h VAL 67 Cb 0.85 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3dpg h VAL 67 CO 0.08 0.06 -0.39 0.40 0.02 0.00 0.00 177.57 177.73 3dpg h ILE 68 N 0.13 1.30 -0.00 4.57 1.08 -0.90 -2.83 117.51 120.86 3dpg h ILE 68 Ca 0.04 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.01 3dpg h ILE 68 Cb 0.03 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 3dpg h ILE 68 CO -0.01 0.46 -0.01 0.61 -0.69 0.00 0.00 178.15 178.52 3dpg n GLY 69 N -0.16 -1.26 0.16 5.37 0.00 -0.34 -4.17 105.19 104.78 3dpg n GLY 69 Ca -0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3dpg n GLY 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3dpg h ARG 70 N 0.02 0.45 -0.32 1.61 9.65 -1.19 -2.41 114.38 122.19 3dpg h ARG 70 Ca 0.00 -0.15 0.06 0.00 -1.10 0.00 0.00 59.98 58.79 3dpg h ARG 70 Cb 0.28 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.77 3dpg h ARG 70 CO 0.00 0.64 -0.05 -1.35 2.80 0.00 0.00 179.97 182.00 3dpg h PRO 71 N 0.22 0.03 -0.70 0.20 0.11 -1.78 0.19 132.00 130.28 3dpg h PRO 71 Ca 0.07 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3dpg h PRO 71 Cb 0.44 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 3dpg h PRO 71 CO 0.02 0.02 0.39 0.28 -0.21 0.00 0.00 178.00 178.49 3dpg h VAL 72 N 0.03 1.21 -0.30 3.15 2.07 -1.82 -0.36 116.25 120.23 3dpg h VAL 72 Ca 0.15 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.16 3dpg h VAL 72 Cb 0.23 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3dpg h VAL 72 CO -0.30 0.23 0.17 -0.08 0.02 0.00 0.00 177.57 177.61 3dpg h GLU 73 N 0.95 0.35 -0.75 1.57 4.81 -0.86 0.76 114.58 121.42 3dpg h GLU 73 Ca 0.25 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 3dpg h GLU 73 Cb 0.03 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 3dpg h GLU 73 CO -0.04 0.23 0.46 -0.91 -0.73 0.00 0.00 179.01 178.02 3dpg h ASN 74 N 0.36 0.73 -0.55 1.04 2.35 -0.35 0.10 115.58 119.26 3dpg h ASN 74 Ca 0.12 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3dpg h ASN 74 Cb -0.00 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 3dpg h ASN 74 CO -0.05 0.49 0.27 0.00 -1.65 0.00 0.00 177.43 176.48 3dpg h ALA 75 N 1.35 0.70 -0.29 -0.83 0.00 -0.32 0.14 119.26 120.01 3dpg h ALA 75 Ca 0.32 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3dpg h ALA 75 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dpg h ALA 75 CO -0.15 0.26 -0.31 0.28 0.00 0.00 0.00 179.25 179.34 3dpg h VAL 76 N 0.73 1.28 -0.25 0.00 2.07 -0.54 -0.33 116.25 119.22 3dpg h VAL 76 Ca 0.19 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 3dpg h VAL 76 Cb 0.10 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3dpg h VAL 76 CO -0.03 0.45 0.13 0.74 0.02 0.00 0.00 177.57 178.89 3dpg h THR 77 N 0.51 1.13 -0.35 2.57 2.02 -0.58 -1.50 112.91 116.72 3dpg h THR 77 Ca 0.06 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3dpg h THR 77 Cb 0.79 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3dpg h THR 77 CO 0.06 0.12 0.22 -0.08 0.37 0.00 0.00 175.52 176.21 3dpg h GLU 78 N 0.29 0.47 -0.62 6.66 4.81 -0.63 -2.03 114.58 123.54 3dpg h GLU 78 Ca 0.09 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3dpg h GLU 78 Cb 0.08 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3dpg h GLU 78 CO -0.01 0.35 0.13 0.78 -0.73 0.00 0.00 179.01 179.53 3dpg h GLY 79 N 0.46 1.06 1.00 1.92 0.00 -0.99 -2.33 103.07 104.19 3dpg h GLY 79 Ca 0.13 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 3dpg h GLY 79 CO -0.02 0.62 0.18 -0.84 0.00 0.00 0.00 176.54 176.47 3dpg h THR 80 N 0.94 1.24 -0.01 4.70 2.02 -1.17 -0.53 112.91 120.10 3dpg h THR 80 Ca 0.20 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3dpg h THR 80 Cb 0.37 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3dpg h THR 80 CO 0.00 0.30 0.01 -0.74 0.37 0.00 0.00 175.52 175.46 3dpg h HIS 81 N 0.81 0.01 -0.01 3.16 6.17 -1.05 0.24 115.15 124.48 3dpg h HIS 81 Ca 0.19 0.00 -0.21 0.00 0.71 0.00 0.00 60.37 61.05 3dpg h HIS 81 Cb 0.28 -0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.21 3dpg h HIS 81 CO 0.02 0.03 -0.89 0.74 0.71 0.00 0.00 177.93 178.54 3dpg h PHE 82 N -0.01 0.51 0.00 5.26 0.04 -1.37 -3.37 116.94 118.00 3dpg h PHE 82 Ca 0.00 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.50 3dpg h PHE 82 Cb 0.02 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.11 3dpg h PHE 82 CO -0.07 1.08 0.00 1.19 -0.60 0.00 0.00 178.31 179.91 3dpg n PHE 83 N -3.74 0.00 0.00 -0.55 3.72 -0.21 -5.07 117.46 111.61 3dpg n PHE 83 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3dpg n PHE 83 Cb 0.81 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 3dpg n PHE 83 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3dpg n ARG 84 N -0.18 0.00 0.17 -1.08 1.74 0.86 -0.52 116.66 117.64 3dpg n ARG 84 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 3dpg n ARG 84 Cb 0.02 0.00 0.52 0.00 -1.02 0.00 0.00 32.46 31.99 3dpg n ARG 84 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3dpg h ASP 85 N 0.00 0.00 1.04 0.55 5.19 -1.94 -2.30 116.42 118.96 3dpg h ASP 85 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 3dpg h ASP 85 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3dpg h ASP 85 CO 0.00 0.00 -0.28 0.44 -3.12 0.00 0.00 179.24 176.28 3dpg h ASP 86 N 0.00 0.00 -2.69 6.45 3.32 -1.20 -3.45 116.42 118.85 3dpg h ASP 86 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3dpg h ASP 86 Cb 0.45 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.01 3dpg h ASP 86 CO 0.00 0.28 1.01 0.12 -1.72 0.00 0.00 179.24 178.92 3dpg s PHE 87 N -3.53 2.32 -0.11 4.55 5.36 -0.86 -4.99 117.98 120.72 3dpg s PHE 87 Ca 0.01 0.33 -0.06 0.00 -0.96 0.00 0.00 56.93 56.26 3dpg s PHE 87 Cb 0.10 -3.92 0.05 0.00 -0.34 0.00 0.00 43.02 38.91 3dpg s PHE 87 CO 0.66 -3.71 0.25 0.50 -1.46 0.00 0.00 175.22 171.46 3dpg s ARG 88 N 3.06 0.22 -0.02 10.12 6.06 -1.26 -5.00 118.95 132.12 3dpg s ARG 88 Ca 0.73 0.53 0.01 0.00 -2.50 0.00 0.00 55.73 54.50 3dpg s ARG 88 Cb -0.37 -0.10 0.01 0.00 0.06 0.00 0.00 34.95 34.55 3dpg s ARG 88 CO 0.31 -0.16 -0.03 0.14 -2.50 0.00 0.00 175.30 173.06 3dpg s VAL 89 N 1.20 0.35 0.57 7.11 -7.23 -1.26 -4.10 120.40 117.04 3dpg s VAL 89 Ca -0.09 -0.10 -0.20 0.00 -1.81 0.00 0.00 61.98 59.78 3dpg s VAL 89 Cb -0.10 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 3dpg s VAL 89 CO -0.08 0.15 1.29 -0.62 -0.31 0.00 0.00 175.10 175.53 3dpg s ASP 90 N 0.47 5.21 0.38 4.85 -1.08 -1.26 -4.89 116.67 120.36 3dpg s ASP 90 Ca -0.05 2.61 0.15 0.00 -0.52 0.00 0.00 52.55 54.74 3dpg s ASP 90 Cb -0.09 -2.62 1.02 0.00 -1.46 0.00 0.00 42.92 39.78 3dpg s ASP 90 CO -0.01 -1.59 1.78 -1.28 0.52 0.00 0.00 175.17 174.59 3dpg h SER 91 N 1.22 0.52 1.27 -0.34 0.87 -2.00 -1.10 113.55 113.97 3dpg h SER 91 Ca -0.51 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.14 3dpg h SER 91 Cb 1.30 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.26 3dpg h SER 91 CO 0.56 0.12 -0.01 0.78 -0.53 0.00 0.00 176.83 177.76 3dpg h ASN 92 N 0.47 0.00 -0.08 6.23 2.35 -1.99 -0.38 115.58 122.18 3dpg h ASN 92 Ca 0.59 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.18 3dpg h ASN 92 Cb 1.35 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.73 3dpg h ASN 92 CO -0.32 0.01 -0.54 0.00 -1.65 0.00 0.00 177.43 174.93 3dpg h ALA 93 N 1.99 0.17 -0.44 -0.83 0.00 -1.56 -2.37 119.26 116.24 3dpg h ALA 93 Ca -0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 3dpg h ALA 93 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3dpg h ALA 93 CO 0.00 0.39 -0.19 0.87 0.00 0.00 0.00 179.25 180.31 3dpg h LYS 94 N 0.09 0.86 0.47 0.00 1.57 -1.29 -2.12 116.57 116.16 3dpg h LYS 94 Ca -0.04 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 3dpg h LYS 94 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3dpg h LYS 94 CO 0.11 0.98 -0.23 0.00 -0.57 0.00 0.00 179.45 179.74 3dpg h ALA 95 N 1.02 -0.64 -0.10 3.86 0.00 -1.12 0.14 119.26 122.42 3dpg h ALA 95 Ca 0.11 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dpg h ALA 95 Cb 0.73 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3dpg h ALA 95 CO 0.06 -0.84 -0.21 -0.22 0.00 0.00 0.00 179.25 178.04 3dpg h LYS 96 N -0.67 -0.26 -0.43 0.00 3.11 -1.39 -1.82 116.57 115.11 3dpg h LYS 96 Ca -0.07 0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.74 3dpg h LYS 96 Cb 0.50 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.78 3dpg h LYS 96 CO 0.11 -0.18 0.07 0.28 -2.81 0.00 0.00 179.45 176.92 3dpg h VAL 97 N -0.27 1.24 -0.66 2.00 2.07 -1.33 -2.38 116.25 116.92 3dpg h VAL 97 Ca 0.09 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3dpg h VAL 97 Cb 0.41 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3dpg h VAL 97 CO -0.26 0.31 0.42 0.00 0.02 0.00 0.00 177.57 178.06 3dpg h ALA 98 N 0.94 1.51 -0.24 1.67 0.00 -0.84 0.15 119.26 122.46 3dpg h ALA 98 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dpg h ALA 98 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dpg h ALA 98 CO 0.01 0.45 0.10 0.78 0.00 0.00 0.00 179.25 180.59 3dpg h GLY 99 N 0.91 0.38 1.14 0.00 0.00 -1.08 -0.78 103.07 103.63 3dpg h GLY 99 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 3dpg h GLY 99 CO -0.05 0.19 0.15 -0.55 0.00 0.00 0.00 176.54 176.28 3dpg h ASP 100 N 0.24 1.01 -0.23 0.19 5.19 -0.88 -1.69 116.42 120.25 3dpg h ASP 100 Ca 0.08 -0.21 0.02 0.00 -0.62 0.00 0.00 57.03 56.30 3dpg h ASP 100 Cb 0.15 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 3dpg h ASP 100 CO -0.01 0.98 0.09 0.40 -3.12 0.00 0.00 179.24 177.58 3dpg h ILE 101 N 1.01 0.96 -0.14 0.35 1.08 -0.54 0.70 117.51 120.93 3dpg h ILE 101 Ca 0.21 -0.07 0.04 0.00 -0.39 0.00 0.00 64.86 64.65 3dpg h ILE 101 Cb 0.37 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 3dpg h ILE 101 CO 0.00 0.04 -0.11 0.15 -0.69 0.00 0.00 178.15 177.54 3dpg h PHE 102 N 0.20 -0.27 0.02 1.37 3.57 -0.80 -0.61 116.94 120.42 3dpg h PHE 102 Ca 0.10 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3dpg h PHE 102 Cb 0.06 0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3dpg h PHE 102 CO -0.11 -0.16 -0.01 1.49 -2.23 0.00 0.00 178.31 177.28 3dpg h GLU 103 N -0.12 -0.03 -0.09 1.11 4.81 -1.13 -1.96 114.58 117.18 3dpg h GLU 103 Ca 0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3dpg h GLU 103 Cb 0.25 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3dpg h GLU 103 CO -0.21 0.21 0.02 0.82 -0.73 0.00 0.00 179.01 179.13 3dpg h ILE 104 N -0.27 1.18 -0.29 2.32 2.04 -0.72 -0.47 117.51 121.32 3dpg h ILE 104 Ca -0.00 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.30 3dpg h ILE 104 Cb 0.25 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3dpg h ILE 104 CO 0.00 0.16 0.18 0.58 0.00 0.00 0.00 178.15 179.08 3dpg h VAL 105 N -0.06 1.05 -0.96 1.67 2.07 -1.19 -0.81 116.25 118.02 3dpg h VAL 105 Ca 0.03 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3dpg h VAL 105 Cb 0.23 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3dpg h VAL 105 CO -0.00 0.07 0.64 0.28 0.02 0.00 0.00 177.57 178.58 3dpg h SER 106 N 0.37 1.10 -0.14 0.57 0.02 -1.19 -0.66 113.55 113.62 3dpg h SER 106 Ca 0.11 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3dpg h SER 106 Cb -0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3dpg h SER 106 CO -0.04 0.79 -0.09 0.28 -1.14 0.00 0.00 176.83 176.63 3dpg h SER 107 N 1.29 0.45 -0.39 3.07 0.02 -0.74 -1.64 113.55 115.61 3dpg h SER 107 Ca 0.36 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 3dpg h SER 107 Cb -0.12 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3dpg h SER 107 CO -0.09 0.59 -0.07 0.00 -1.14 0.00 0.00 176.83 176.12 3dpg h ALA 108 N 1.46 0.54 -0.26 3.77 0.00 -0.19 0.75 119.26 125.33 3dpg h ALA 108 Ca 0.09 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3dpg h ALA 108 Cb 0.44 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3dpg h ALA 108 CO 0.02 0.38 -0.08 0.28 0.00 0.00 0.00 179.25 179.86 3dpg h VAL 109 N 0.55 0.71 -0.40 0.00 2.07 -0.76 -1.92 116.25 116.51 3dpg h VAL 109 Ca 0.10 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 3dpg h VAL 109 Cb 0.58 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3dpg h VAL 109 CO 0.03 0.00 -0.04 0.24 0.02 0.00 0.00 177.57 177.82 3dpg h MET 110 N -0.02 0.67 -0.30 1.57 2.86 -1.15 -1.65 114.93 116.92 3dpg h MET 110 Ca 0.13 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3dpg h MET 110 Cb 0.21 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 3dpg h MET 110 CO -0.28 0.72 -0.06 2.35 1.06 0.00 0.00 176.91 180.70 3dpg h TRP 111 N 0.63 -0.13 -0.25 -0.22 2.91 -0.37 0.10 115.95 118.62 3dpg h TRP 111 Ca 0.12 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.09 3dpg h TRP 111 Cb 0.46 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 3dpg h TRP 111 CO 0.02 -0.11 -0.19 -0.91 -1.03 0.00 0.00 178.44 176.22 3dpg h ASN 112 N 0.02 0.43 -0.18 2.65 4.21 -1.05 -0.41 115.58 121.25 3dpg h ASN 112 Ca 0.14 -0.12 0.03 0.00 1.21 0.00 0.00 56.30 57.56 3dpg h ASN 112 Cb 0.21 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.27 3dpg h ASN 112 CO -0.29 0.63 0.01 0.00 -1.29 0.00 0.00 177.43 176.49 3dpg h ALA 114 N 1.14 1.21 -0.02 0.00 0.00 -0.19 0.11 119.26 121.52 3dpg h ALA 114 Ca 0.08 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dpg h ALA 114 Cb 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3dpg h ALA 114 CO -0.13 0.65 -0.05 0.00 0.00 0.00 0.00 179.25 179.72 3dpg h ALA 115 N 1.32 -0.03 -0.46 0.00 0.00 -0.80 0.46 119.26 119.75 3dpg h ALA 115 Ca 0.34 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 3dpg h ALA 115 Cb -0.08 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3dpg h ALA 115 CO -0.07 -0.54 0.11 -0.09 0.00 0.00 0.00 179.25 178.66 3dpg h ARG 116 N -0.08 0.74 -0.34 0.00 2.43 -1.00 -0.71 114.38 115.42 3dpg h ARG 116 Ca 0.03 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3dpg h ARG 116 Cb 0.12 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3dpg h ARG 116 CO -0.07 0.73 0.13 2.35 -1.51 0.00 0.00 179.97 181.60 3dpg h TRP 117 N 0.62 0.24 -0.67 2.20 2.91 -0.62 -2.40 115.95 118.23 3dpg h TRP 117 Ca 0.14 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.10 3dpg h TRP 117 Cb 0.33 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 3dpg h TRP 117 CO 0.02 0.11 0.10 -0.91 -1.03 0.00 0.00 178.44 176.73 3dpg h ASN 118 N 0.29 1.08 -0.60 2.65 2.35 0.27 -0.11 115.58 121.50 3dpg h ASN 118 Ca 0.15 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3dpg h ASN 118 Cb 0.10 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3dpg h ASN 118 CO -0.14 1.07 0.36 0.28 -1.65 0.00 0.00 177.43 177.35 3dpg h SER 119 N 1.04 0.57 -0.32 5.81 0.02 -1.04 -0.92 113.55 118.71 3dpg h SER 119 Ca 0.20 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3dpg h SER 119 Cb 0.45 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3dpg h SER 119 CO 0.01 0.39 0.18 0.25 -1.14 0.00 0.00 176.83 176.53 3dpg h LEU 120 N 0.70 0.40 -1.62 5.07 5.85 -1.02 -1.18 115.31 123.51 3dpg h LEU 120 Ca 0.25 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3dpg h LEU 120 Cb 0.06 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3dpg h LEU 120 CO -0.12 0.36 0.36 0.24 -0.34 0.00 0.00 178.44 178.94 3dpg h MET 121 N 0.41 0.45 -0.29 1.25 2.86 -0.28 -0.41 114.93 118.93 3dpg h MET 121 Ca 0.12 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3dpg h MET 121 Cb 0.04 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3dpg h MET 121 CO -0.02 0.30 0.00 1.33 1.06 0.00 0.00 176.91 179.58 3dpg n VAL 122 N -4.47 0.38 -0.03 -2.22 0.24 -0.42 -2.16 118.33 109.64 3dpg n VAL 122 Ca 0.08 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3dpg n VAL 122 Cb 0.27 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 3dpg n VAL 122 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dpg n GLY 123 N 1.11 0.98 2.51 7.63 0.00 -0.16 -4.96 105.19 112.30 3dpg n GLY 123 Ca 0.14 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 3dpg n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpg n GLU 124 N -2.03 -0.40 -0.93 1.61 1.02 -0.46 -5.01 120.64 114.42 3dpg n GLU 124 Ca 0.00 -1.52 -0.19 0.00 -0.02 0.00 0.00 57.16 55.42 3dpg n GLU 124 Cb 0.00 -0.68 0.15 0.00 -0.02 0.00 0.00 31.44 30.89 3dpg n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dpg n GLY 125 N -0.33 -2.09 3.35 0.62 0.00 -1.26 -4.45 105.19 101.02 3dpg n GLY 125 Ca 0.11 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.11 3dpg n GLY 125 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dpg s TRP 126 N -2.57 3.26 0.36 1.61 -0.11 -1.26 -4.01 118.94 116.22 3dpg s TRP 126 Ca 0.48 -1.12 -0.27 0.00 1.22 0.00 0.00 56.10 56.40 3dpg s TRP 126 Cb -0.03 -3.35 -0.12 0.00 -1.50 0.00 0.00 33.47 28.47 3dpg s TRP 126 CO 0.35 -0.88 1.21 0.54 -4.62 0.00 0.00 176.95 173.56 3dpg n ARG 127 N 5.18 1.88 0.00 5.86 1.74 -1.26 -4.90 116.66 125.16 3dpg n ARG 127 Ca -0.13 0.66 0.06 0.00 -0.77 0.00 0.00 57.85 57.68 3dpg n ARG 127 Cb 0.42 -2.23 0.02 0.00 -1.02 0.00 0.00 32.46 29.66 3dpg n ARG 127 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3dpg n SER 128 N 0.72 1.68 -3.89 0.55 3.41 -1.26 -4.80 113.62 110.02 3dpg n SER 128 Ca 0.06 -1.34 -0.26 0.00 -0.26 0.00 0.00 58.87 57.08 3dpg n SER 128 Cb 0.36 0.27 -0.17 0.00 -0.26 0.00 0.00 64.21 64.41 3dpg n SER 128 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dpg s GLN 129 N -1.36 1.37 1.13 4.33 -1.52 -1.26 -2.70 119.66 119.65 3dpg s GLN 129 Ca 0.12 -0.20 -0.16 0.00 -1.95 0.00 0.00 55.36 53.17 3dpg s GLN 129 Cb 0.10 -1.45 0.25 0.00 -0.22 0.00 0.00 33.01 31.69 3dpg s GLN 129 CO 0.25 -0.24 1.10 -2.14 -0.25 0.00 0.00 175.29 174.00 3dpg s PRO 130 N 1.65 -0.61 -0.27 2.91 0.02 -1.26 -5.02 135.00 132.41 3dpg s PRO 130 Ca 0.03 0.20 -0.20 0.00 0.02 0.00 0.00 61.00 61.04 3dpg s PRO 130 Cb -0.13 -1.64 -0.01 0.00 0.02 0.00 0.00 34.50 32.73 3dpg s PRO 130 CO -0.07 -3.36 0.63 1.03 -0.33 0.00 0.00 177.00 174.91 3dpg s ARG 131 N -5.18 4.03 0.17 5.54 0.52 -1.10 -5.05 118.95 117.89 3dpg s ARG 131 Ca 0.68 0.46 0.08 0.00 -0.52 0.00 0.00 55.73 56.44 3dpg s ARG 131 Cb -0.14 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 3dpg s ARG 131 CO 0.57 -0.48 -0.17 0.71 0.02 0.00 0.00 175.30 175.95 3dpg s TYR 132 N 2.56 1.76 0.23 -0.53 2.02 -1.26 -5.11 117.35 117.02 3dpg s TYR 132 Ca 0.26 -0.50 -0.30 0.00 -0.37 0.00 0.00 57.07 56.16 3dpg s TYR 132 Cb -0.15 -0.87 -0.10 0.00 -0.40 0.00 0.00 41.96 40.44 3dpg s TYR 132 CO 0.10 0.33 1.48 -1.12 -1.57 0.00 0.00 175.55 174.77 3dpg s SER 133 N -2.82 6.61 0.11 2.29 0.01 -1.26 -4.95 113.70 113.69 3dpg s SER 133 Ca 0.17 2.68 -0.31 0.00 1.31 0.00 0.00 55.95 59.80 3dpg s SER 133 Cb -0.04 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.49 3dpg s SER 133 CO 0.07 -0.75 1.44 -0.60 0.41 0.00 0.00 173.24 173.81 3dpg s ARG 134 N -0.05 4.29 0.41 12.44 3.52 -1.26 -4.98 118.95 133.33 3dpg s ARG 134 Ca 0.62 2.13 -0.24 0.00 -0.13 0.00 0.00 55.73 58.10 3dpg s ARG 134 Cb -0.43 -3.29 -0.11 0.00 -1.56 0.00 0.00 34.95 29.56 3dpg s ARG 134 CO 0.41 -0.50 1.00 -2.30 -0.81 0.00 0.00 175.30 173.10 3dpg n PRO 135 N 4.22 1.34 0.02 5.12 -0.02 -1.26 -4.92 135.00 139.50 3dpg n PRO 135 Ca 0.12 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 3dpg n PRO 135 Cb 0.42 -2.03 0.13 0.00 -0.02 0.00 0.00 33.50 32.00 3dpg n PRO 135 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dpg n THR 136 N -0.46 0.10 -2.18 3.45 -2.24 -1.26 -4.95 114.28 106.74 3dpg n THR 136 Ca 0.09 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 3dpg n THR 136 Cb 0.39 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 3dpg n THR 136 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3dpg s LEU 137 N -3.43 4.43 0.04 3.22 2.96 -1.26 -4.94 118.68 119.70 3dpg s LEU 137 Ca 0.08 2.54 -0.30 0.00 -0.22 0.00 0.00 54.13 56.23 3dpg s LEU 137 Cb 0.16 -3.63 -0.09 0.00 0.50 0.00 0.00 46.19 43.13 3dpg s LEU 137 CO 0.75 -0.51 1.83 -0.44 -1.32 0.00 0.00 176.35 176.67 3dpg s SER 138 N -0.13 6.51 0.57 3.68 0.01 -1.26 -4.94 113.70 118.14 3dpg s SER 138 Ca 0.52 2.59 -0.20 0.00 1.31 0.00 0.00 55.95 60.17 3dpg s SER 138 Cb -0.38 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.27 3dpg s SER 138 CO 0.45 -1.00 1.30 -2.84 0.41 0.00 0.00 173.24 171.57 3dpg s PRO 139 N 3.73 3.02 -0.27 12.44 0.02 -1.26 -4.99 135.00 147.68 3dpg s PRO 139 Ca 0.82 2.08 -0.25 0.00 0.02 0.00 0.00 61.00 63.67 3dpg s PRO 139 Cb -0.41 -2.11 0.10 0.00 0.02 0.00 0.00 34.50 32.10 3dpg s PRO 139 CO 0.37 -1.24 0.91 0.45 -0.33 0.00 0.00 177.00 177.16 3dpg s SER 140 N -1.21 -0.57 0.56 2.53 0.15 -0.92 -5.01 113.70 109.23 3dpg s SER 140 Ca 0.75 1.09 0.24 0.00 0.70 0.00 0.00 55.95 58.72 3dpg s SER 140 Cb -0.37 1.10 1.54 0.00 -1.71 0.00 0.00 66.02 66.58 3dpg s SER 140 CO 0.42 -0.19 2.16 -0.65 1.20 0.00 0.00 173.24 176.18 3dpg h PRO 141 N 4.48 0.00 0.00 5.44 0.11 -1.86 -0.77 132.00 139.40 3dpg h PRO 141 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3dpg h PRO 141 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dpg h PRO 141 CO 0.09 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.42 3dpg n ARG 142 N -4.16 0.17 -0.51 1.05 1.74 -1.26 -2.81 116.66 110.87 3dpg n ARG 142 Ca -0.01 0.14 0.08 0.00 -0.77 0.00 0.00 57.85 57.29 3dpg n ARG 142 Cb 0.17 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.40 3dpg n ARG 142 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dpg n ARG 143 N -1.36 3.46 -1.90 5.56 1.74 -0.29 -4.83 116.66 119.02 3dpg n ARG 143 Ca 0.07 -2.76 -0.32 0.00 -0.77 0.00 0.00 57.85 54.07 3dpg n ARG 143 Cb 0.17 -1.82 0.02 0.00 -1.02 0.00 0.00 32.46 29.80 3dpg n ARG 143 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3dpg s GLN 144 N -2.22 3.34 0.12 5.56 -0.21 -1.12 -4.96 119.66 120.17 3dpg s GLN 144 Ca 0.43 0.99 0.04 0.00 0.02 0.00 0.00 55.36 56.84 3dpg s GLN 144 Cb 0.31 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.23 3dpg s GLN 144 CO 0.15 -0.78 -0.09 0.14 -2.12 0.00 0.00 175.29 172.59 3dpg s VAL 145 N -2.83 1.00 -0.10 1.09 -7.23 -1.26 -1.54 120.40 109.53 3dpg s VAL 145 Ca 0.59 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 3dpg s VAL 145 Cb -0.13 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 3dpg s VAL 145 CO 0.46 -0.73 -0.16 0.00 -0.31 0.00 0.00 175.10 174.35 3dpg s ALA 146 N -3.18 2.51 -0.37 1.32 0.00 0.13 -4.74 121.76 117.43 3dpg s ALA 146 Ca 0.13 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 3dpg s ALA 146 Cb 0.02 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 3dpg s ALA 146 CO -0.01 0.35 0.33 0.08 0.00 0.00 0.00 175.76 176.52 3dpg s VAL 147 N 0.01 5.20 -0.38 0.00 1.01 -1.26 -1.39 120.40 123.59 3dpg s VAL 147 Ca -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3dpg s VAL 147 Cb -0.15 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.47 3dpg s VAL 147 CO 0.05 -0.17 0.16 -0.76 0.00 0.00 0.00 175.10 174.37 3dpg s LEU 148 N 1.89 4.89 -0.22 3.92 1.43 0.38 -4.91 118.68 126.06 3dpg s LEU 148 Ca 0.09 -1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 51.14 3dpg s LEU 148 Cb -0.17 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 3dpg s LEU 148 CO 0.11 -0.47 1.63 0.21 0.23 0.00 0.00 176.35 178.07 3dpg s ASN 149 N 1.70 6.35 0.11 2.29 3.84 -1.26 -1.48 114.94 126.49 3dpg s ASN 149 Ca 0.04 1.63 -0.15 0.00 0.21 0.00 0.00 52.86 54.59 3dpg s ASN 149 Cb -0.22 -2.53 -0.07 0.00 -0.55 0.00 0.00 41.25 37.88 3dpg s ASN 149 CO -0.03 -1.28 0.53 -0.76 -2.79 0.00 0.00 177.10 172.77 3dpg s LEU 150 N 5.29 4.40 0.63 3.21 1.43 0.04 -4.67 118.68 129.01 3dpg s LEU 150 Ca 0.72 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.81 3dpg s LEU 150 Cb -0.25 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 3dpg s LEU 150 CO 0.30 0.17 1.02 -2.16 0.23 0.00 0.00 176.35 175.91 3dpg s PRO 151 N -1.66 3.35 0.38 1.29 0.04 -1.26 -4.83 135.00 132.31 3dpg s PRO 151 Ca 0.34 0.57 -0.28 0.00 0.04 0.00 0.00 61.00 61.68 3dpg s PRO 151 Cb -0.16 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.17 3dpg s PRO 151 CO 0.18 -0.67 1.41 0.54 0.04 0.00 0.00 177.00 178.50 3dpg n ARG 152 N -2.77 2.42 -1.00 4.56 1.74 -1.26 -2.20 116.66 118.16 3dpg n ARG 152 Ca 0.06 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.99 3dpg n ARG 152 Cb 0.55 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 3dpg n ARG 152 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3dpg n SER 153 N 0.47 -2.70 -4.79 0.55 2.88 -1.26 -5.02 113.62 103.76 3dpg n SER 153 Ca 0.03 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.21 3dpg n SER 153 Cb 0.38 -0.53 -0.04 0.00 -0.75 0.00 0.00 64.21 63.28 3dpg n SER 153 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3dpg s PHE 154 N -2.21 3.16 -0.26 0.66 5.36 -0.93 -5.04 117.98 118.70 3dpg s PHE 154 Ca 0.00 1.62 -0.03 0.00 -0.96 0.00 0.00 56.93 57.56 3dpg s PHE 154 Cb 0.00 -3.12 0.03 0.00 -0.34 0.00 0.00 43.02 39.58 3dpg s PHE 154 CO 0.00 -0.74 -0.02 0.34 -1.46 0.00 0.00 175.22 173.33 3dpg s ASP 155 N -1.68 4.55 0.65 6.13 -1.08 -1.26 -3.93 116.67 120.05 3dpg s ASP 155 Ca 0.61 -0.89 0.41 0.00 -0.52 0.00 0.00 52.55 52.17 3dpg s ASP 155 Cb -0.21 -1.71 2.28 0.00 -1.46 0.00 0.00 42.92 41.82 3dpg s ASP 155 CO 0.26 -0.16 2.34 4.11 0.52 0.00 0.00 175.17 182.24 3dpg h TRP 156 N 8.06 0.00 -0.31 -5.34 5.08 -1.75 -0.49 115.95 121.20 3dpg h TRP 156 Ca -0.31 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.69 3dpg h TRP 156 Cb 1.11 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.25 3dpg h TRP 156 CO 0.59 0.00 0.21 0.28 -1.28 0.00 0.00 178.44 178.24 3dpg h VAL 157 N 0.00 1.00 0.00 0.12 2.07 -1.93 -1.30 116.25 116.20 3dpg h VAL 157 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3dpg h VAL 157 Cb 0.02 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3dpg h VAL 157 CO 0.00 0.05 0.00 -1.54 0.02 0.00 0.00 177.57 176.10 3dpg n SER 158 N -4.49 0.26 0.09 0.57 3.41 -0.19 -1.36 113.62 111.90 3dpg n SER 158 Ca 0.03 0.61 -0.06 0.00 -0.26 0.00 0.00 58.87 59.19 3dpg n SER 158 Cb 0.17 -0.65 -0.01 0.00 -0.26 0.00 0.00 64.21 63.46 3dpg n SER 158 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3dpg h LEU 159 N 0.00 0.06-10.13 1.04 3.38 -1.43 0.39 115.31 108.61 3dpg h LEU 159 Ca 0.00 -0.05 -0.51 0.00 0.09 0.00 0.00 57.88 57.41 3dpg h LEU 159 Cb 0.04 -0.02 0.09 0.00 0.09 0.00 0.00 40.66 40.86 3dpg h LEU 159 CO 0.00 0.90 0.41 -0.76 0.09 0.00 0.00 178.44 179.08 3dpg s LEU 160 N -7.12 3.58 0.68 1.67 1.43 -0.46 -1.24 118.68 117.21 3dpg s LEU 160 Ca -0.00 2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 55.07 3dpg s LEU 160 Cb 0.11 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.75 3dpg s LEU 160 CO 0.81 -1.47 1.12 1.33 0.23 0.00 0.00 176.35 178.37 3dpg n VAL 161 N -1.82 3.82 -0.32 -1.59 0.24 0.30 -3.56 118.33 115.41 3dpg n VAL 161 Ca 0.11 -0.44 0.13 0.00 -2.04 0.00 0.00 64.34 62.11 3dpg n VAL 161 Cb 0.51 -1.28 0.31 0.00 -1.47 0.00 0.00 33.84 31.92 3dpg n VAL 161 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3dpg h PRO 162 N 0.14 0.49 -0.23 7.34 0.11 -1.93 -1.30 132.00 136.63 3dpg h PRO 162 Ca -0.49 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 3dpg h PRO 162 Cb 1.34 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3dpg h PRO 162 CO 0.50 0.33 -0.24 0.93 -0.21 0.00 0.00 178.00 179.31 3dpg h GLU 163 N 0.51 0.44 -0.07 1.05 3.07 -1.96 -0.85 114.58 116.77 3dpg h GLU 163 Ca 0.57 -0.16 -0.24 0.00 -0.50 0.00 0.00 59.36 59.03 3dpg h GLU 163 Cb 1.02 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.91 3dpg h GLU 163 CO -0.48 0.65 -0.90 0.77 -1.40 0.00 0.00 179.01 177.65 3dpg h SER 164 N 0.39 0.86 -0.82 1.42 0.02 -1.61 -2.73 113.55 111.07 3dpg h SER 164 Ca 0.06 -0.63 0.05 0.00 -0.84 0.00 0.00 61.79 60.44 3dpg h SER 164 Cb 0.64 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 3dpg h SER 164 CO 0.05 1.42 0.51 1.56 -1.14 0.00 0.00 176.83 179.23 3dpg h GLN 165 N 0.43 0.93 -0.75 3.45 4.20 -1.12 -2.70 115.11 119.55 3dpg h GLN 165 Ca -0.09 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3dpg h GLN 165 Cb 1.54 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 3dpg h GLN 165 CO 0.18 0.61 0.46 0.93 -0.67 0.00 0.00 178.83 180.35 3dpg h GLU 166 N 0.96 1.02 -0.37 1.46 5.08 -1.03 0.21 114.58 121.91 3dpg h GLU 166 Ca 0.35 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3dpg h GLU 166 Cb 0.12 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3dpg h GLU 166 CO -0.15 0.71 0.11 0.28 -1.00 0.00 0.00 179.01 178.96 3dpg h VAL 167 N 1.03 0.87 -0.33 3.13 2.07 -1.19 -0.85 116.25 120.98 3dpg h VAL 167 Ca 0.27 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.66 3dpg h VAL 167 Cb -0.05 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3dpg h VAL 167 CO -0.05 0.05 0.03 0.40 0.02 0.00 0.00 177.57 178.01 3dpg h ILE 168 N 0.25 1.25 -0.74 4.57 2.04 -1.12 -2.01 117.51 121.75 3dpg h ILE 168 Ca 0.17 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.15 3dpg h ILE 168 Cb 0.17 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 3dpg h ILE 168 CO -0.19 0.30 0.48 -0.08 0.00 0.00 0.00 178.15 178.65 3dpg h GLU 169 N 0.38 0.93 0.00 2.37 4.57 -0.34 -0.82 114.58 121.67 3dpg h GLU 169 Ca 0.10 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 3dpg h GLU 169 Cb 0.40 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3dpg h GLU 169 CO 0.01 0.61 -0.27 1.05 -1.18 0.00 0.00 179.01 179.23 3dpg h GLU 170 N 0.95 0.00 -0.14 1.92 4.11 -1.11 -0.01 114.58 120.31 3dpg h GLU 170 Ca 0.28 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.67 3dpg h GLU 170 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3dpg h GLU 170 CO -0.09 0.27 -0.09 0.35 0.07 0.00 0.00 179.01 179.53 3dpg h PHE 171 N 0.00 0.36 -0.28 2.06 3.57 -0.61 -2.96 116.94 119.08 3dpg h PHE 171 Ca -0.00 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 3dpg h PHE 171 Cb 0.93 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3dpg h PHE 171 CO 0.00 0.66 -0.05 0.00 -2.23 0.00 0.00 178.31 176.69 3dpg h ARG 172 N -0.04 0.53 -0.68 1.11 3.08 -1.00 -2.62 114.38 114.76 3dpg h ARG 172 Ca 0.03 -0.20 0.15 0.00 0.07 0.00 0.00 59.98 60.03 3dpg h ARG 172 Cb 0.57 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.48 3dpg h ARG 172 CO 0.02 0.73 0.09 0.00 -1.07 0.00 0.00 179.97 179.75 3dpg h ALA 173 N 0.79 0.79 -0.17 0.04 0.00 -1.06 0.22 119.26 119.87 3dpg h ALA 173 Ca 0.07 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3dpg h ALA 173 Cb 0.52 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3dpg h ALA 173 CO 0.03 -0.36 -0.22 0.78 0.00 0.00 0.00 179.25 179.47 3dpg h GLY 174 N 0.20 0.31 1.35 0.00 0.00 -1.46 -2.56 103.07 100.92 3dpg h GLY 174 Ca 0.37 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 3dpg h GLY 174 CO -0.52 0.21 -0.14 1.41 0.00 0.00 0.00 176.54 177.50 3dpg h LEU 175 N 0.27 0.76 -0.42 3.11 3.38 -0.31 -3.25 115.31 118.84 3dpg h LEU 175 Ca 0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 3dpg h LEU 175 Cb 0.54 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3dpg h LEU 175 CO 0.04 0.91 -0.01 0.03 0.09 0.00 0.00 178.44 179.49 3dpg h ARG 176 N 0.69 0.75 0.00 1.13 3.08 -0.19 -0.44 114.38 119.39 3dpg h ARG 176 Ca 0.11 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3dpg h ARG 176 Cb 0.62 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3dpg h ARG 176 CO 0.04 0.84 0.00 0.36 -1.07 0.00 0.00 179.97 180.14 3dpg n LYS 177 N -4.40 0.07 -0.29 0.04 2.85 -1.13 0.32 118.16 115.61 3dpg n LYS 177 Ca -0.01 0.23 0.07 0.00 -1.05 0.00 0.00 58.31 57.55 3dpg n LYS 177 Cb 0.30 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.38 3dpg n LYS 177 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3dpg n ASP 178 N -1.27 3.31 -0.61 -5.58 8.00 -0.66 -4.96 116.55 114.80 3dpg n ASP 178 Ca 0.02 -2.56 -0.08 0.00 0.71 0.00 0.00 54.79 52.89 3dpg n ASP 178 Cb 0.04 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 3dpg n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dpg n GLY 179 N -0.15 0.97 3.54 0.44 0.00 0.15 -5.02 105.19 105.13 3dpg n GLY 179 Ca 0.16 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 3dpg n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dpg s LEU 180 N -1.80 2.80 0.23 0.99 1.43 -0.27 -4.98 118.68 117.09 3dpg s LEU 180 Ca 0.00 -0.95 -0.00 0.00 -1.03 0.00 0.00 54.13 52.15 3dpg s LEU 180 Cb 0.00 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3dpg s LEU 180 CO 0.00 -0.03 0.20 -0.83 0.23 0.00 0.00 176.35 175.92 3dpg s GLY 181 N -3.58 1.54 -0.41 -3.19 0.00 -1.26 -1.95 107.32 98.46 3dpg s GLY 181 Ca 0.31 -1.70 0.08 0.00 0.00 0.00 0.00 44.72 43.41 3dpg s GLY 181 CO 0.17 -1.34 0.61 -0.10 0.00 0.00 0.00 173.10 172.44 3dpg n LEU 182 N -0.35 -0.58 -4.73 0.66 7.94 -1.26 -5.04 117.00 113.63 3dpg n LEU 182 Ca 0.03 -4.35 -0.35 0.00 -1.11 0.00 0.00 56.01 50.22 3dpg n LEU 182 Cb 0.65 0.69 0.08 0.00 0.53 0.00 0.00 43.42 45.37 3dpg n LEU 182 CO 0.32 2.05 0.82 -2.84 -1.11 0.00 0.00 177.39 176.64 3dpg s PRO 183 N -0.72 2.31 -0.06 1.96 0.02 -1.26 -5.03 135.00 132.22 3dpg s PRO 183 Ca 0.34 1.83 0.04 0.00 0.02 0.00 0.00 61.00 63.23 3dpg s PRO 183 Cb 0.18 -1.85 -0.00 0.00 0.02 0.00 0.00 34.50 32.86 3dpg s PRO 183 CO -0.14 -1.72 -0.18 0.95 -0.33 0.00 0.00 177.00 175.57 3dpg s THR 184 N -1.82 1.55 0.00 0.99 -4.23 -1.26 -5.07 115.64 105.80 3dpg s THR 184 Ca 0.76 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 3dpg s THR 184 Cb -0.31 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.19 3dpg s THR 184 CO 0.43 0.44 0.00 -1.54 -0.54 0.00 0.00 174.62 173.41 3dpg n SER 185 N 3.31 0.00 -3.60 3.99 3.41 -1.26 -4.73 113.62 114.74 3dpg n SER 185 Ca -0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.31 3dpg n SER 185 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 3dpg n SER 185 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dpg s THR 186 N 2.15 0.00 0.92 6.66 -1.32 -1.25 -2.30 115.64 120.50 3dpg s THR 186 Ca 0.00 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 3dpg s THR 186 Cb 0.00 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.13 3dpg s THR 186 CO 0.00 0.00 1.13 -2.16 -2.21 0.00 0.00 174.62 171.38 3dpg s PRO 187 N -0.52 1.05 0.33 7.08 0.05 -1.26 -4.95 135.00 136.78 3dpg s PRO 187 Ca -0.01 0.34 0.04 0.00 0.05 0.00 0.00 61.00 61.42 3dpg s PRO 187 Cb -0.02 -1.82 0.57 0.00 0.05 0.00 0.00 34.50 33.28 3dpg s PRO 187 CO -0.00 -2.27 1.85 -0.44 0.05 0.00 0.00 177.00 176.19 3dpg h ASP 188 N -1.55 0.48 -4.36 6.66 3.32 -1.75 -3.44 116.42 115.79 3dpg h ASP 188 Ca -0.51 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.31 3dpg h ASP 188 Cb 1.33 -0.13 -0.23 0.00 0.22 0.00 0.00 39.33 40.53 3dpg h ASP 188 CO 0.61 0.59 -0.29 -0.22 -1.72 0.00 0.00 179.24 178.20 3dpg s LEU 189 N -8.98 0.75 -0.03 1.55 0.20 -0.91 -0.78 118.68 110.49 3dpg s LEU 189 Ca -0.07 0.43 0.03 0.00 0.69 0.00 0.00 54.13 55.21 3dpg s LEU 189 Cb 0.15 1.23 -0.00 0.00 -0.43 0.00 0.00 46.19 47.14 3dpg s LEU 189 CO 0.77 -0.27 -0.13 0.00 -0.29 0.00 0.00 176.35 176.43 3dpg s ALA 190 N -0.49 1.14 -0.25 5.97 0.00 -0.55 -1.10 121.76 126.49 3dpg s ALA 190 Ca -0.06 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 3dpg s ALA 190 Cb -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3dpg s ALA 190 CO 0.02 0.22 0.11 0.08 0.00 0.00 0.00 175.76 176.19 3dpg s VAL 191 N 0.03 4.75 0.10 0.00 1.01 0.35 -0.47 120.40 126.16 3dpg s VAL 191 Ca -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.02 3dpg s VAL 191 Cb -0.09 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3dpg s VAL 191 CO 0.01 0.33 -0.21 0.68 0.00 0.00 0.00 175.10 175.91 3dpg s VAL 192 N 1.40 1.76 0.32 2.92 -7.23 -0.48 -0.22 120.40 118.87 3dpg s VAL 192 Ca 0.06 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 3dpg s VAL 192 Cb -0.15 -1.58 -0.11 0.00 0.56 0.00 0.00 36.38 35.09 3dpg s VAL 192 CO 0.05 -0.01 1.55 0.52 -0.31 0.00 0.00 175.10 176.90 3dpg n VAL 193 N 1.17 1.37 -2.15 1.32 0.31 -0.21 0.17 118.33 120.31 3dpg n VAL 193 Ca -0.19 -0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 63.38 3dpg n VAL 193 Cb 0.53 -1.95 -0.03 0.00 -0.91 0.00 0.00 33.84 31.49 3dpg n VAL 193 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3dpg s LEU 194 N -1.00 4.38 0.51 7.52 2.96 -0.59 -4.70 118.68 127.76 3dpg s LEU 194 Ca 0.60 2.38 -0.23 0.00 -0.22 0.00 0.00 54.13 56.66 3dpg s LEU 194 Cb -0.49 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.54 3dpg s LEU 194 CO 0.54 -0.65 1.40 -2.65 -1.32 0.00 0.00 176.35 173.67 3dpg n PRO 195 N 3.67 1.94 -0.31 0.98 -0.02 -1.26 -4.84 135.00 135.15 3dpg n PRO 195 Ca 0.11 0.70 0.11 0.00 -2.02 0.00 0.00 63.50 62.40 3dpg n PRO 195 Cb 0.42 -2.62 0.28 0.00 -0.02 0.00 0.00 33.50 31.56 3dpg n PRO 195 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dpg h GLU 196 N 1.78 0.57 -0.86 -0.52 4.81 -1.93 0.20 114.58 118.63 3dpg h GLU 196 Ca -0.51 -0.03 0.24 0.00 -0.13 0.00 0.00 59.36 58.92 3dpg h GLU 196 Cb 1.29 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 3dpg h GLU 196 CO 0.59 0.38 0.61 0.93 -0.73 0.00 0.00 179.01 180.78 3dpg h GLU 197 N 0.59 0.08 -0.15 1.92 3.07 -2.00 -1.87 114.58 116.23 3dpg h GLU 197 Ca 0.53 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3dpg h GLU 197 Cb 0.86 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 3dpg h GLU 197 CO -0.42 0.06 0.00 1.19 -1.40 0.00 0.00 179.01 178.44 3dpg n PHE 198 N -4.33 0.17 1.03 4.33 3.72 0.68 -4.64 117.46 118.42 3dpg n PHE 198 Ca 0.18 -0.10 0.09 0.00 -0.05 0.00 0.00 57.45 57.56 3dpg n PHE 198 Cb 0.87 -0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.91 3dpg n PHE 198 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3dpg n GLN 199 N 1.16 0.49 -0.80 -1.08 6.02 -0.70 -1.03 117.38 121.43 3dpg n GLN 199 Ca 0.13 0.03 0.05 0.00 -0.01 0.00 0.00 57.00 57.20 3dpg n GLN 199 Cb 0.51 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.39 3dpg n GLN 199 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3dpg n ASN 200 N -1.06 1.40 -4.66 1.08 0.23 -1.26 -4.96 115.26 106.03 3dpg n ASN 200 Ca 0.12 -2.99 -0.40 0.00 -0.53 0.00 0.00 54.58 50.79 3dpg n ASN 200 Cb 0.07 -0.41 -0.06 0.00 -2.08 0.00 0.00 39.78 37.30 3dpg n ASN 200 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 3dpg s ASP 201 N -2.56 6.63 0.53 0.53 1.01 -0.20 -4.96 116.67 117.65 3dpg s ASP 201 Ca 0.32 0.77 0.30 0.00 0.71 0.00 0.00 52.55 54.65 3dpg s ASP 201 Cb 0.33 -2.33 1.43 0.00 1.01 0.00 0.00 42.92 43.36 3dpg s ASP 201 CO -0.08 -0.24 2.04 -0.33 0.21 0.00 0.00 175.17 176.76 3dpg h GLU 202 N 7.49 0.00 -0.99 8.23 5.08 -1.96 -3.10 114.58 129.34 3dpg h GLU 202 Ca -0.32 0.00 0.33 0.00 -1.00 0.00 0.00 59.36 58.37 3dpg h GLU 202 Cb 1.15 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.22 3dpg h GLU 202 CO 0.76 0.11 0.27 1.98 -1.00 0.00 0.00 179.01 181.12 3dpg h MET 203 N 0.00 0.03 -0.01 2.33 4.05 -1.95 0.19 114.93 119.57 3dpg h MET 203 Ca -0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3dpg h MET 203 Cb 0.42 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 3dpg h MET 203 CO 0.01 0.02 -0.10 0.91 0.23 0.00 0.00 176.91 177.98 3dpg n TRP 204 N -5.36 0.00 0.45 1.39 7.02 -1.17 -3.58 117.44 116.19 3dpg n TRP 204 Ca 0.29 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.83 3dpg n TRP 204 Cb 0.98 -0.12 0.03 0.00 -2.42 0.00 0.00 31.31 29.77 3dpg n TRP 204 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3dpg n ARG 205 N -0.71 1.12 -3.45 -0.99 1.74 0.64 -3.63 116.66 111.37 3dpg n ARG 205 Ca 0.16 -0.93 -0.38 0.00 -0.77 0.00 0.00 57.85 55.92 3dpg n ARG 205 Cb 0.28 -1.16 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 3dpg n ARG 205 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3dpg s GLU 206 N -1.09 4.13 0.05 5.56 2.02 -1.06 -4.50 118.70 123.81 3dpg s GLU 206 Ca 0.11 0.08 -0.30 0.00 0.02 0.00 0.00 54.97 54.88 3dpg s GLU 206 Cb 0.09 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 3dpg s GLU 206 CO 0.18 -0.05 0.99 -1.21 0.02 0.00 0.00 175.26 175.19 3dpg s GLU 207 N 1.37 4.60 0.42 1.61 2.02 -1.26 -4.82 118.70 122.65 3dpg s GLU 207 Ca 0.16 1.47 -0.16 0.00 0.02 0.00 0.00 54.97 56.45 3dpg s GLU 207 Cb -0.15 -3.42 -0.09 0.00 0.10 0.00 0.00 34.13 30.58 3dpg s GLU 207 CO 0.07 0.03 0.87 0.96 0.02 0.00 0.00 175.26 177.22 3dpg s ILE 208 N 0.63 4.58 -0.41 -1.63 -4.36 -1.26 -4.99 121.20 113.76 3dpg s ILE 208 Ca 0.51 1.11 0.23 0.00 -0.26 0.00 0.00 60.65 62.24 3dpg s ILE 208 Cb -0.23 -3.66 0.04 0.00 1.25 0.00 0.00 42.46 39.86 3dpg s ILE 208 CO 0.29 -0.44 1.20 0.00 0.24 0.00 0.00 174.94 176.23 3dpg h ALA 209 N 1.57 0.57 0.00 2.27 0.00 -1.95 -3.45 119.26 118.26 3dpg h ALA 209 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dpg h ALA 209 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3dpg h ALA 209 CO 0.63 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.29 3dpg n GLY 210 N 1.24 0.54 2.38 0.00 0.00 -1.26 -2.70 105.19 105.39 3dpg n GLY 210 Ca 0.02 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 3dpg n GLY 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dpg n LEU 211 N 0.00 7.70 -4.68 0.99 4.77 0.19 -4.73 117.00 121.24 3dpg n LEU 211 Ca 0.00 -4.41 -0.30 0.00 -0.03 0.00 0.00 56.01 51.27 3dpg n LEU 211 Cb 0.00 -1.41 0.16 0.00 -2.33 0.00 0.00 43.42 39.84 3dpg n LEU 211 CO 0.00 1.97 0.65 0.42 -1.33 0.00 0.00 177.39 179.11 3dpg s THR 212 N -0.10 2.52 0.21 -5.08 -4.23 -1.26 -3.63 115.64 104.06 3dpg s THR 212 Ca 0.61 0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 61.19 3dpg s THR 212 Cb 0.23 -2.46 0.14 0.00 1.34 0.00 0.00 72.50 71.75 3dpg s THR 212 CO -0.09 -0.22 1.83 -0.09 -0.54 0.00 0.00 174.62 175.51 3dpg h ARG 213 N -1.74 0.76 -0.94 3.99 9.65 -1.92 0.33 114.38 124.51 3dpg h ARG 213 Ca -0.49 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.37 3dpg h ARG 213 Cb 1.28 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 29.64 3dpg h ARG 213 CO 0.50 0.50 0.62 -1.35 2.80 0.00 0.00 179.97 183.04 3dpg h PRO 214 N 0.78 1.19 -0.04 0.20 0.11 -1.96 -1.65 132.00 130.63 3dpg h PRO 214 Ca 0.29 -0.07 -0.19 0.00 0.11 0.00 0.00 66.00 66.13 3dpg h PRO 214 Cb 0.09 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 3dpg h PRO 214 CO -0.14 0.79 -0.81 -0.91 -0.21 0.00 0.00 178.00 176.72 3dpg h ASN 215 N 1.23 0.42 -0.38 -2.05 2.35 -1.58 -0.75 115.58 114.82 3dpg h ASN 215 Ca 0.36 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3dpg h ASN 215 Cb -0.06 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3dpg h ASN 215 CO -0.10 1.07 0.16 1.56 -1.65 0.00 0.00 177.43 178.47 3dpg h GLN 216 N 0.21 0.33 -0.56 0.81 4.20 -0.09 -1.91 115.11 118.11 3dpg h GLN 216 Ca -0.04 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 3dpg h GLN 216 Cb 1.41 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 3dpg h GLN 216 CO 0.13 0.22 -0.09 0.82 -0.67 0.00 0.00 178.83 179.24 3dpg h ILE 217 N 0.34 1.27 -0.11 2.54 2.04 -1.20 -1.17 117.51 121.22 3dpg h ILE 217 Ca 0.17 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.81 3dpg h ILE 217 Cb 0.11 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3dpg h ILE 217 CO -0.14 0.44 -0.08 0.25 0.00 0.00 0.00 178.15 178.63 3dpg h LEU 218 N 0.93 -0.24 -0.24 1.44 5.85 -0.87 -0.41 115.31 121.76 3dpg h LEU 218 Ca 0.15 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3dpg h LEU 218 Cb 0.66 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 3dpg h LEU 218 CO 0.05 -0.11 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.79 3dpg h LEU 219 N -0.08 0.57 -1.04 2.25 4.07 -1.23 -2.63 115.31 117.21 3dpg h LEU 219 Ca 0.07 -0.45 -0.06 0.00 0.08 0.00 0.00 57.88 57.52 3dpg h LEU 219 Cb 0.18 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 3dpg h LEU 219 CO -0.16 0.90 -0.29 0.77 -1.08 0.00 0.00 178.44 178.58 3dpg h SER 220 N 0.26 0.00 0.40 -0.43 4.64 -1.14 -3.08 113.55 114.19 3dpg h SER 220 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3dpg h SER 220 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3dpg h SER 220 CO 0.05 0.29 -0.53 0.61 -0.87 0.00 0.00 176.83 176.37 3dpg n GLY 221 N 0.17 -1.12 0.34 -0.77 0.00 -0.17 -4.48 105.19 99.15 3dpg n GLY 221 Ca -0.00 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.70 3dpg n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpg h ALA 222 N 3.10 1.44 -0.40 4.61 0.00 -1.37 -1.92 119.26 124.71 3dpg h ALA 222 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3dpg h ALA 222 Cb 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3dpg h ALA 222 CO 0.00 0.08 0.32 0.10 0.00 0.00 0.00 179.25 179.75 3dpg h TYR 223 N 0.83 0.00 -0.42 0.00 -0.00 -1.81 -0.21 116.97 115.36 3dpg h TYR 223 Ca 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 59.17 3dpg h TYR 223 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.30 3dpg h TYR 223 CO -0.03 0.00 0.07 1.96 -0.00 0.00 0.00 178.16 180.16 3dpg h GLN 224 N 0.00 0.64 0.00 0.10 4.20 -1.68 -1.94 115.11 116.43 3dpg h GLN 224 Ca 0.19 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3dpg h GLN 224 Cb 0.83 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3dpg h GLN 224 CO -0.00 0.61 0.00 0.00 -0.67 0.00 0.00 178.83 178.77 3dpg h ARG 225 N 0.62 0.00 -0.00 1.46 3.08 -1.18 -3.13 114.38 115.22 3dpg h ARG 225 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3dpg h ARG 225 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3dpg h ARG 225 CO 0.00 0.00 -0.19 1.28 -1.07 0.00 0.00 179.97 179.99 3dpg n LEU 226 N -2.41 0.84 -4.66 3.04 4.32 -0.76 -4.97 117.00 112.40 3dpg n LEU 226 Ca 0.01 -0.70 -0.45 0.00 -0.02 0.00 0.00 56.01 54.85 3dpg n LEU 226 Cb 0.19 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.97 3dpg n LEU 226 CO 0.19 0.18 0.97 0.00 -1.22 0.00 0.00 177.39 177.51 3dpg n GLN 227 N -0.52 1.91 -1.18 3.23 6.02 -0.99 -1.38 117.38 124.47 3dpg n GLN 227 Ca 0.03 0.68 -0.06 0.00 -0.01 0.00 0.00 57.00 57.63 3dpg n GLN 227 Cb 0.14 -2.31 -0.03 0.00 1.02 0.00 0.00 30.24 29.06 3dpg n GLN 227 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dpg n GLY 228 N 2.11 0.80 0.00 1.08 0.00 0.13 -4.85 105.19 104.44 3dpg n GLY 228 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3dpg n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpg n ARG 229 N -1.88 6.35 -3.58 1.61 1.74 -0.48 -3.94 116.66 116.48 3dpg n ARG 229 Ca -0.06 -0.03 -0.37 0.00 -0.77 0.00 0.00 57.85 56.62 3dpg n ARG 229 Cb 0.32 -0.55 -0.07 0.00 -1.02 0.00 0.00 32.46 31.14 3dpg n ARG 229 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dpg s VAL 230 N -0.97 5.30 0.55 1.55 1.01 -0.38 -4.69 120.40 122.76 3dpg s VAL 230 Ca 0.00 0.53 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 3dpg s VAL 230 Cb 0.00 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 3dpg s VAL 230 CO 0.02 0.45 1.01 -1.10 0.00 0.00 0.00 175.10 175.47 3dpg s GLN 231 N 0.07 3.71 0.23 2.72 -1.52 -1.26 -0.54 119.66 123.07 3dpg s GLN 231 Ca 0.17 1.00 -0.07 0.00 -1.95 0.00 0.00 55.36 54.51 3dpg s GLN 231 Cb -0.13 -2.10 0.31 0.00 -0.22 0.00 0.00 33.01 30.87 3dpg s GLN 231 CO 0.05 -0.47 1.82 -1.35 -0.25 0.00 0.00 175.29 175.09 3dpg h PRO 232 N 0.60 0.79 0.00 2.91 0.11 -1.97 0.50 132.00 134.93 3dpg h PRO 232 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3dpg h PRO 232 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3dpg h PRO 232 CO 0.60 0.52 0.00 0.41 -0.21 0.00 0.00 178.00 179.32 3dpg n GLY 233 N -1.31 -1.07 0.61 -0.55 0.00 -1.26 -3.17 105.19 98.43 3dpg n GLY 233 Ca 0.11 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3dpg n GLY 233 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpg n GLU 234 N -1.25 1.75 -2.59 1.61 1.02 0.16 -4.62 120.64 116.72 3dpg n GLU 234 Ca 0.13 -1.22 -0.42 0.00 -0.02 0.00 0.00 57.16 55.63 3dpg n GLU 234 Cb 0.19 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 3dpg n GLU 234 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3dpg s ILE 235 N -2.10 3.88 0.01 -3.67 1.01 -1.19 -1.04 121.20 118.10 3dpg s ILE 235 Ca 0.32 0.57 0.08 0.00 0.00 0.00 0.00 60.65 61.62 3dpg s ILE 235 Cb 0.20 -4.82 -0.23 0.00 0.01 0.00 0.00 42.46 37.62 3dpg s ILE 235 CO 0.36 -1.61 0.87 0.28 0.00 0.00 0.00 174.94 174.84 3dpg h SER 236 N 9.80 0.06 -3.75 3.58 0.02 -0.86 -3.44 113.55 118.95 3dpg h SER 236 Ca -0.27 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3dpg h SER 236 Cb 1.05 -0.02 -0.21 0.00 0.14 0.00 0.00 62.40 63.37 3dpg h SER 236 CO 1.23 1.08 0.10 -0.22 -1.14 0.00 0.00 176.83 177.88 3dpg s LEU 237 N -6.41 -0.78 -0.06 5.07 2.96 -0.96 -4.40 118.68 114.10 3dpg s LEU 237 Ca -0.04 1.46 0.05 0.00 -0.22 0.00 0.00 54.13 55.37 3dpg s LEU 237 Cb 0.08 2.43 -0.02 0.00 0.50 0.00 0.00 46.19 49.19 3dpg s LEU 237 CO 0.82 -0.25 -0.19 0.00 -1.32 0.00 0.00 176.35 175.42 3dpg s ALA 238 N 0.69 2.42 -0.04 5.97 0.00 0.39 -0.49 121.76 130.70 3dpg s ALA 238 Ca -0.02 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.96 3dpg s ALA 238 Cb -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.23 3dpg s ALA 238 CO -0.04 0.46 -0.14 0.08 0.00 0.00 0.00 175.76 176.12 3dpg s VAL 239 N -0.38 1.21 -0.18 0.00 1.01 -0.26 -0.77 120.40 121.03 3dpg s VAL 239 Ca 0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3dpg s VAL 239 Cb -0.12 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3dpg s VAL 239 CO 0.02 0.36 -0.08 0.00 0.00 0.00 0.00 175.10 175.40 3dpg s ALA 240 N 0.21 2.73 -0.17 5.51 0.00 -0.24 -2.03 121.76 127.77 3dpg s ALA 240 Ca -0.06 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 3dpg s ALA 240 Cb -0.12 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 3dpg s ALA 240 CO 0.02 -0.13 0.18 -0.06 0.00 0.00 0.00 175.76 175.76 3dpg s PHE 241 N 0.98 3.47 -0.22 0.00 0.08 -1.26 -0.74 117.98 120.29 3dpg s PHE 241 Ca -0.01 0.45 -0.04 0.00 0.12 0.00 0.00 56.93 57.45 3dpg s PHE 241 Cb -0.15 -2.16 0.08 0.00 -0.57 0.00 0.00 43.02 40.23 3dpg s PHE 241 CO -0.00 0.38 0.15 0.15 -0.10 0.00 0.00 175.22 175.79 3dpg s LYS 242 N 0.06 0.15 0.27 0.44 1.02 0.10 -4.95 119.74 116.83 3dpg s LYS 242 Ca 0.12 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.97 3dpg s LYS 242 Cb -0.12 -1.42 0.41 0.00 -0.52 0.00 0.00 37.83 36.18 3dpg s LYS 242 CO 0.01 -0.78 1.90 -0.09 -0.92 0.00 0.00 175.35 175.47 3dpg h ARG 243 N 8.38 1.14 -4.88 1.68 2.43 -1.90 -3.34 114.38 117.89 3dpg h ARG 243 Ca -0.17 -0.07 -0.31 0.00 -0.81 0.00 0.00 59.98 58.62 3dpg h ARG 243 Cb 1.11 -0.26 -0.15 0.00 -0.42 0.00 0.00 29.97 30.26 3dpg h ARG 243 CO 0.33 0.76 -0.66 -1.54 -1.51 0.00 0.00 179.97 177.34 3dpg s SER 244 N -5.99 1.38 0.19 -3.80 1.04 -1.26 -0.90 113.70 104.36 3dpg s SER 244 Ca -0.12 -1.18 0.08 0.00 0.48 0.00 0.00 55.95 55.21 3dpg s SER 244 Cb 0.20 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 3dpg s SER 244 CO 0.81 -0.55 -0.05 -0.76 0.98 0.00 0.00 173.24 173.67 3dpg s LEU 245 N -3.21 3.11 0.09 2.42 1.43 -0.30 -4.94 118.68 117.29 3dpg s LEU 245 Ca 0.25 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3dpg s LEU 245 Cb 0.06 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3dpg s LEU 245 CO 0.05 0.09 -0.08 -0.13 0.23 0.00 0.00 176.35 176.51 3dpg s ARG 246 N -2.96 0.80 0.44 1.70 1.81 -1.26 -4.72 118.95 114.75 3dpg s ARG 246 Ca 0.26 -1.19 0.12 0.00 -1.72 0.00 0.00 55.73 53.21 3dpg s ARG 246 Cb -0.09 -0.34 1.01 0.00 -0.45 0.00 0.00 34.95 35.09 3dpg s ARG 246 CO 0.17 0.03 2.01 0.66 -0.68 0.00 0.00 175.30 177.49 3dpg h SER 247 N 3.40 0.36 0.59 0.23 4.64 -1.95 -0.85 113.55 119.97 3dpg h SER 247 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3dpg h SER 247 Cb 1.18 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3dpg h SER 247 CO 0.57 0.23 -0.16 -0.90 -0.87 0.00 0.00 176.83 175.70 3dpg n ASP 248 N -4.47 0.32 -1.85 4.97 5.75 -1.26 -3.87 116.55 116.14 3dpg n ASP 248 Ca 0.07 -0.16 -0.18 0.00 -0.01 0.00 0.00 54.79 54.51 3dpg n ASP 248 Cb 0.27 -0.14 0.17 0.00 -1.03 0.00 0.00 41.12 40.39 3dpg n ASP 248 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dpg n ARG 249 N -1.26 2.22 -0.00 0.11 1.74 -0.32 -4.51 116.66 114.64 3dpg n ARG 249 Ca 0.10 -3.17 0.07 0.00 -0.77 0.00 0.00 57.85 54.08 3dpg n ARG 249 Cb 0.31 -2.07 -0.10 0.00 -1.02 0.00 0.00 32.46 29.58 3dpg n ARG 249 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dpg n LEU 250 N -1.09 0.40 0.04 0.55 4.77 -1.25 -4.73 117.00 115.69 3dpg n LEU 250 Ca 0.50 -0.30 0.04 0.00 -0.03 0.00 0.00 56.01 56.22 3dpg n LEU 250 Cb 1.29 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 42.31 3dpg n LEU 250 CO 0.47 0.10 -0.28 -1.22 -1.33 0.00 0.00 177.39 175.13 3dpg n TYR 251 N -1.61 0.85 -0.11 -1.77 4.01 -1.26 -3.76 117.16 113.50 3dpg n TYR 251 Ca 0.01 0.27 -0.07 0.00 -0.16 0.00 0.00 57.90 57.94 3dpg n TYR 251 Cb 0.29 -0.99 0.01 0.00 -0.31 0.00 0.00 39.34 38.34 3dpg n TYR 251 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3dpg h GLN 252 N 0.00 0.40 -0.20 -0.72 -0.00 -1.92 0.23 115.11 112.90 3dpg h GLN 252 Ca -0.12 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.65 58.38 3dpg h GLN 252 Cb 1.38 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.76 3dpg h GLN 252 CO 0.03 0.26 -0.43 -1.35 0.00 0.00 0.00 178.83 177.34 3dpg h PRO 253 N 0.41 0.49 -0.59 -2.39 0.11 -1.93 -0.17 132.00 127.94 3dpg h PRO 253 Ca 0.15 -0.26 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 3dpg h PRO 253 Cb 0.03 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 3dpg h PRO 253 CO -0.09 0.84 0.24 1.25 -0.21 0.00 0.00 178.00 180.03 3dpg h LEU 254 N 0.40 0.81 -0.14 2.35 5.85 -1.56 0.23 115.31 123.25 3dpg h LEU 254 Ca 0.03 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 3dpg h LEU 254 Cb 0.92 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 3dpg h LEU 254 CO 0.08 0.75 -0.15 0.22 -0.34 0.00 0.00 178.44 179.00 3dpg h TYR 255 N 0.81 0.41 -0.75 1.25 3.20 -0.42 -2.65 116.97 118.82 3dpg h TYR 255 Ca 0.20 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3dpg h TYR 255 Cb 0.20 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3dpg h TYR 255 CO 0.01 0.75 0.34 1.49 -1.64 0.00 0.00 178.16 179.10 3dpg h GLU 256 N -0.04 1.08 -0.64 1.82 4.57 -0.95 -1.38 114.58 119.04 3dpg h GLU 256 Ca 0.02 -0.16 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 3dpg h GLU 256 Cb 0.69 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 3dpg h GLU 256 CO 0.04 0.85 0.38 0.00 -1.18 0.00 0.00 179.01 179.10 3dpg h ALA 257 N 1.30 0.84 -0.41 2.92 0.00 -0.97 0.25 119.26 123.20 3dpg h ALA 257 Ca 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3dpg h ALA 257 Cb 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3dpg h ALA 257 CO -0.03 0.11 0.25 -0.91 0.00 0.00 0.00 179.25 178.67 3dpg h ASN 258 N 0.74 0.42 -0.36 0.00 2.35 -0.99 -1.36 115.58 116.37 3dpg h ASN 258 Ca 0.27 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.99 3dpg h ASN 258 Cb 0.07 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3dpg h ASN 258 CO -0.13 0.30 0.11 0.58 -1.65 0.00 0.00 177.43 176.65 3dpg h VAL 259 N 0.51 1.21 -0.78 2.81 2.07 -0.81 -0.91 116.25 120.35 3dpg h VAL 259 Ca 0.16 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3dpg h VAL 259 Cb -0.01 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3dpg h VAL 259 CO -0.06 0.24 0.47 0.24 0.02 0.00 0.00 177.57 178.48 3dpg h MET 260 N 0.44 0.82 -0.40 1.57 2.86 -0.78 -0.84 114.93 118.60 3dpg h MET 260 Ca 0.12 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 3dpg h MET 260 Cb 0.26 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3dpg h MET 260 CO -0.00 0.54 -0.25 1.96 1.06 0.00 0.00 176.91 180.22 3dpg h GLN 261 N 0.85 0.88 -0.04 1.72 4.20 -1.04 0.24 115.11 121.92 3dpg h GLN 261 Ca 0.35 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3dpg h GLN 261 Cb 0.19 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 3dpg h GLN 261 CO -0.18 1.06 0.01 1.25 -0.67 0.00 0.00 178.83 180.30 3dpg h LEU 262 N 0.70 0.01 0.24 1.46 6.46 -0.78 0.22 115.31 123.62 3dpg h LEU 262 Ca 0.08 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 3dpg h LEU 262 Cb 0.82 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 3dpg h LEU 262 CO 0.07 0.02 -0.12 -0.07 -0.62 0.00 0.00 178.44 177.72 3dpg h LEU 263 N 0.03 -0.27 -0.03 2.25 3.38 -1.10 -1.00 115.31 118.57 3dpg h LEU 263 Ca 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3dpg h LEU 263 Cb 0.01 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dpg h LEU 263 CO -0.02 0.17 -0.09 -0.07 0.09 0.00 0.00 178.44 178.52 3dpg h LEU 264 N -0.80 0.14 0.23 1.67 3.38 -0.57 -0.94 115.31 118.42 3dpg h LEU 264 Ca -0.03 -0.61 -0.31 0.00 0.09 0.00 0.00 57.88 57.02 3dpg h LEU 264 Cb 0.51 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.25 3dpg h LEU 264 CO 0.05 0.72 -1.38 -0.33 0.09 0.00 0.00 178.44 177.59 3dpg h GLU 265 N -0.44 0.49 0.22 1.13 5.08 -1.12 0.11 114.58 120.04 3dpg h GLU 265 Ca -0.00 -0.83 -0.34 0.00 -1.00 0.00 0.00 59.36 57.18 3dpg h GLU 265 Cb 0.70 0.31 0.02 0.00 0.50 0.00 0.00 28.75 30.29 3dpg h GLU 265 CO 0.02 1.40 -1.60 0.78 -1.00 0.00 0.00 179.01 178.61 3dpg h GLY 266 N 0.09 0.53 0.00 -3.84 0.00 -0.63 -3.23 103.07 95.98 3dpg h GLY 266 Ca -0.25 -1.34 -0.23 0.00 0.00 0.00 0.00 47.33 45.51 3dpg h GLY 266 CO 0.24 1.18 -2.17 0.28 0.00 0.00 0.00 176.54 176.07 3dpg n LYS 267 N -3.64 0.82 -0.02 4.80 4.76 -0.47 -4.64 118.16 119.77 3dpg n LYS 267 Ca -0.20 -0.07 0.01 0.00 -2.87 0.00 0.00 58.31 55.18 3dpg n LYS 267 Cb 1.09 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 32.81 3dpg n LYS 267 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3dpg n LEU 268 N -2.53 1.73 -1.43 -0.35 4.77 -0.52 -5.00 117.00 113.66 3dpg n LEU 268 Ca -0.22 -1.58 -0.15 0.00 -0.03 0.00 0.00 56.01 54.03 3dpg n LEU 268 Cb 0.92 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.94 3dpg n LEU 268 CO 0.41 0.42 -0.17 0.61 -1.33 0.00 0.00 177.39 177.33 3dpg n GLY 269 N -0.15 0.79 3.82 -0.72 0.00 -0.71 -4.91 105.19 103.31 3dpg n GLY 269 Ca 0.02 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3dpg n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpg s ALA 270 N -2.66 2.74 1.25 4.61 0.00 0.29 -4.96 121.76 123.03 3dpg s ALA 270 Ca 0.00 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 3dpg s ALA 270 Cb 0.00 -3.19 0.29 0.00 0.00 0.00 0.00 23.12 20.22 3dpg s ALA 270 CO 0.00 -1.00 1.01 -0.35 0.00 0.00 0.00 175.76 175.42 3dpg n PRO 271 N -2.65 -3.14 -1.66 0.00 -0.04 -1.26 -4.35 135.00 121.90 3dpg n PRO 271 Ca 0.08 -1.62 -0.52 0.00 -0.04 0.00 0.00 63.50 61.39 3dpg n PRO 271 Cb 0.53 -1.56 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 3dpg n PRO 271 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3dpg n LYS 272 N -4.71 1.53 -2.77 0.54 4.81 -1.26 -4.73 118.16 111.57 3dpg n LYS 272 Ca 0.14 0.56 -0.42 0.00 -0.87 0.00 0.00 58.31 57.71 3dpg n LYS 272 Cb 0.55 -2.27 -0.03 0.00 0.02 0.00 0.00 35.03 33.30 3dpg n LYS 272 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3dpg s VAL 273 N 2.18 4.76 -0.24 3.15 1.01 -1.26 -5.01 120.40 124.98 3dpg s VAL 273 Ca 0.89 1.81 -0.20 0.00 0.00 0.00 0.00 61.98 64.48 3dpg s VAL 273 Cb -0.89 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.25 3dpg s VAL 273 CO 0.52 -0.13 0.60 -1.61 0.00 0.00 0.00 175.10 174.48 3dpg s GLU 274 N 3.02 4.14 -0.05 2.72 0.41 -1.26 -4.93 118.70 122.74 3dpg s GLU 274 Ca 0.40 0.52 -0.01 0.00 -0.41 0.00 0.00 54.97 55.47 3dpg s GLU 274 Cb -0.15 -3.62 0.03 0.00 -1.78 0.00 0.00 34.13 28.60 3dpg s GLU 274 CO 0.07 -0.34 0.02 0.12 -0.49 0.00 0.00 175.26 174.64 3dpg s PHE 275 N 2.26 0.39 0.26 1.61 5.99 -1.26 -0.46 117.98 126.77 3dpg s PHE 275 Ca 0.26 0.01 0.06 0.00 0.00 0.00 0.00 56.93 57.26 3dpg s PHE 275 Cb -0.16 -0.60 -0.05 0.00 0.00 0.00 0.00 43.02 42.21 3dpg s PHE 275 CO 0.09 -0.23 -0.07 -1.83 -0.00 0.00 0.00 175.22 173.18 3dpg s GLU 276 N 1.77 1.47 -0.06 10.12 -1.05 0.05 -0.50 118.70 130.50 3dpg s GLU 276 Ca 0.01 -1.73 0.05 0.00 -0.15 0.00 0.00 54.97 53.15 3dpg s GLU 276 Cb -0.13 -1.06 -0.01 0.00 -0.44 0.00 0.00 34.13 32.50 3dpg s GLU 276 CO -0.04 0.05 -0.22 0.08 0.95 0.00 0.00 175.26 176.08 3dpg s VAL 277 N -3.07 1.82 -0.09 1.83 1.01 -0.84 -1.08 120.40 119.98 3dpg s VAL 277 Ca 0.28 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3dpg s VAL 277 Cb 0.03 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3dpg s VAL 277 CO 0.10 0.51 -0.10 -1.00 0.00 0.00 0.00 175.10 174.62 3dpg s HIS 278 N 0.01 2.86 0.07 5.22 3.76 0.08 -0.08 115.29 127.20 3dpg s HIS 278 Ca -0.06 -0.24 -0.08 0.00 -0.15 0.00 0.00 55.06 54.52 3dpg s HIS 278 Cb -0.14 -1.77 -0.00 0.00 1.11 0.00 0.00 32.58 31.78 3dpg s HIS 278 CO 0.04 0.10 0.16 -0.08 -0.85 0.00 0.00 174.74 174.11 3dpg s THR 279 N -0.30 0.14 -0.62 1.30 -1.32 -0.41 -0.72 115.64 113.71 3dpg s THR 279 Ca 0.03 -1.14 0.21 0.00 -1.21 0.00 0.00 61.69 59.59 3dpg s THR 279 Cb -0.13 -1.19 -0.27 0.00 -1.51 0.00 0.00 72.50 69.40 3dpg s THR 279 CO 0.03 -0.63 0.74 0.18 -2.21 0.00 0.00 174.62 172.72 3dpg n LEU 280 N 0.24 0.61 -3.27 9.08 4.77 -0.08 -3.97 117.00 124.38 3dpg n LEU 280 Ca -0.16 -0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 3dpg n LEU 280 Cb 0.61 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3dpg n LEU 280 CO 0.23 0.15 -0.09 0.00 -1.33 0.00 0.00 177.39 176.35 3dpg s ALA 281 N -3.20 -0.82 -0.47 -1.18 0.00 -0.98 -5.00 121.76 110.10 3dpg s ALA 281 Ca 0.02 -0.84 0.25 0.00 0.00 0.00 0.00 51.96 51.40 3dpg s ALA 281 Cb 0.15 -2.22 0.96 0.00 0.00 0.00 0.00 23.12 22.01 3dpg s ALA 281 CO 0.88 -2.16 1.76 -1.35 0.00 0.00 0.00 175.76 174.89 3dpg h PRO 282 N 6.68 0.00 -6.31 0.00 0.11 -1.88 -0.78 132.00 129.82 3dpg h PRO 282 Ca 0.07 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.72 3dpg h PRO 282 Cb 1.07 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.19 3dpg h PRO 282 CO 0.17 0.00 -0.88 0.39 -0.21 0.00 0.00 178.00 177.48 3dpg n GLU 283 N -2.39 -3.51 0.00 1.05 -0.58 -1.26 -4.68 120.64 109.27 3dpg n GLU 283 Ca 0.03 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 3dpg n GLU 283 Cb 0.30 -4.70 0.00 0.00 -0.57 0.00 0.00 31.44 26.48 3dpg n GLU 283 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dpg n GLY 284 N -1.79 0.45 0.19 0.62 0.00 -1.26 -4.85 105.19 98.55 3dpg n GLY 284 Ca -0.27 -2.28 0.06 0.00 0.00 0.00 0.00 46.02 43.52 3dpg n GLY 284 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dpg n THR 285 N 0.21 0.00 0.07 2.61 -2.24 -1.26 -4.58 114.28 109.08 3dpg n THR 285 Ca 0.00 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.44 3dpg n THR 285 Cb 0.00 1.10 0.24 0.00 -2.10 0.00 0.00 70.33 69.57 3dpg n THR 285 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3dpg h ASN 286 N 0.91 0.34 -0.26 3.42 2.35 -1.90 -2.69 115.58 117.74 3dpg h ASN 286 Ca 0.00 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 3dpg h ASN 286 Cb 0.37 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3dpg h ASN 286 CO 0.00 0.63 0.01 0.00 -1.65 0.00 0.00 177.43 176.42 3dpg h ALA 287 N 1.39 1.34 -0.43 -0.83 0.00 -1.85 0.47 119.26 119.35 3dpg h ALA 287 Ca 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3dpg h ALA 287 Cb 0.68 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3dpg h ALA 287 CO 0.05 0.46 0.15 0.74 0.00 0.00 0.00 179.25 180.64 3dpg h PHE 288 N 0.55 0.69 -0.37 0.00 0.04 -1.79 -1.47 116.94 114.58 3dpg h PHE 288 Ca 0.12 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3dpg h PHE 288 Cb 0.33 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3dpg h PHE 288 CO 0.01 0.62 0.19 0.28 -0.60 0.00 0.00 178.31 178.81 3dpg h VAL 289 N 0.56 1.16 -0.89 -0.55 2.07 -1.33 -2.81 116.25 114.46 3dpg h VAL 289 Ca 0.14 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3dpg h VAL 289 Cb 0.24 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3dpg h VAL 289 CO -0.01 0.17 0.59 0.74 0.02 0.00 0.00 177.57 179.08 3dpg h THR 290 N 0.47 1.11 -0.16 2.57 2.02 -0.69 -0.51 112.91 117.72 3dpg h THR 290 Ca 0.13 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3dpg h THR 290 Cb 0.10 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3dpg h THR 290 CO -0.02 0.20 0.00 -1.22 0.37 0.00 0.00 175.52 174.85 3dpg n TYR 291 N -4.46 0.29 1.55 3.16 4.01 -0.57 -3.03 117.16 118.10 3dpg n TYR 291 Ca 0.13 -0.13 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 3dpg n TYR 291 Cb 0.15 -0.05 0.58 0.00 -0.31 0.00 0.00 39.34 39.70 3dpg n TYR 291 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3dpg n GLU 292 N 0.03 1.51 -1.98 -0.72 1.02 -0.20 -4.49 120.64 115.80 3dpg n GLU 292 Ca 0.06 -0.79 -0.41 0.00 -0.02 0.00 0.00 57.16 55.99 3dpg n GLU 292 Cb 0.22 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 3dpg n GLU 292 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dpg s ALA 293 N -2.04 3.64 0.37 0.62 0.00 -1.17 -4.87 121.76 118.31 3dpg s ALA 293 Ca 0.38 1.36 -0.27 0.00 0.00 0.00 0.00 51.96 53.43 3dpg s ALA 293 Cb 0.21 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 3dpg s ALA 293 CO 0.35 -0.77 1.24 0.00 0.00 0.00 0.00 175.76 176.58 3dpg s ALA 294 N -0.02 3.32 0.32 0.00 0.00 -1.26 -1.44 121.76 122.69 3dpg s ALA 294 Ca 0.60 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 53.39 3dpg s ALA 294 Cb -0.43 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.15 3dpg s ALA 294 CO 0.44 -0.60 1.51 0.45 0.00 0.00 0.00 175.76 177.56 3dpg n SER 295 N 0.45 3.61 -0.03 0.00 2.88 0.36 -4.55 113.62 116.35 3dpg n SER 295 Ca 0.02 1.18 -0.16 0.00 -1.33 0.00 0.00 58.87 58.59 3dpg n SER 295 Cb 0.44 -1.58 -0.09 0.00 -0.75 0.00 0.00 64.21 62.23 3dpg n SER 295 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3dpg h LEU 296 N 3.82 0.54 -0.34 2.46 3.38 -1.91 -3.34 115.31 119.92 3dpg h LEU 296 Ca -0.48 -0.66 0.07 0.00 0.09 0.00 0.00 57.88 56.90 3dpg h LEU 296 Cb 1.24 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 3dpg h LEU 296 CO 0.72 1.11 -0.05 0.22 0.09 0.00 0.00 178.44 180.53 3dpg h TYR 297 N 0.01 -0.11 0.00 1.13 3.20 -1.91 -0.23 116.97 119.05 3dpg h TYR 297 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3dpg h TYR 297 Cb 1.11 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.48 3dpg h TYR 297 CO 0.12 -0.11 0.00 0.41 -1.64 0.00 0.00 178.16 176.94 3dpg n GLY 298 N -1.26 -1.04 0.06 1.82 0.00 -1.25 -1.91 105.19 101.60 3dpg n GLY 298 Ca 0.01 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3dpg n GLY 298 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dpg n LEU 299 N -2.27 0.33 -4.75 0.99 4.77 -0.10 -4.64 117.00 111.34 3dpg n LEU 299 Ca -0.00 0.56 -0.40 0.00 -0.03 0.00 0.00 56.01 56.15 3dpg n LEU 299 Cb 0.11 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 3dpg n LEU 299 CO 0.14 -0.30 0.42 0.00 -1.33 0.00 0.00 177.39 176.33 3dpg s ALA 300 N -3.12 3.40 0.26 -1.18 0.00 -0.80 -5.01 121.76 115.30 3dpg s ALA 300 Ca 0.08 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 3dpg s ALA 300 Cb 0.11 -2.93 -0.13 0.00 0.00 0.00 0.00 23.12 20.17 3dpg s ALA 300 CO 0.40 0.09 1.40 0.39 0.00 0.00 0.00 175.76 178.04 3dpg n GLU 301 N 2.80 2.09 -1.57 0.00 -0.58 -1.26 -2.51 120.64 119.60 3dpg n GLU 301 Ca -0.04 0.74 -0.05 0.00 -0.42 0.00 0.00 57.16 57.39 3dpg n GLU 301 Cb 0.50 -2.39 -0.01 0.00 -0.57 0.00 0.00 31.44 28.97 3dpg n GLU 301 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dpg n GLY 302 N 1.96 0.51 0.00 0.62 0.00 -1.26 -5.02 105.19 101.99 3dpg n GLY 302 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3dpg n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpg n ARG 303 N -2.26 3.89 -0.96 1.61 5.12 -1.05 -5.14 116.66 117.88 3dpg n ARG 303 Ca -0.06 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.74 3dpg n ARG 303 Cb 0.34 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.72 3dpg n ARG 303 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3dpg n SER 304 N 0.00 0.13 -4.76 0.55 3.41 -1.26 -5.01 113.62 106.68 3dpg n SER 304 Ca 0.00 -1.26 -0.38 0.00 -0.26 0.00 0.00 58.87 56.97 3dpg n SER 304 Cb 0.00 -0.43 0.01 0.00 -0.26 0.00 0.00 64.21 63.53 3dpg n SER 304 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dpg s ALA 305 N -3.82 3.00 -0.23 7.33 0.00 -1.26 -4.54 121.76 122.23 3dpg s ALA 305 Ca 0.33 1.17 -0.19 0.00 0.00 0.00 0.00 51.96 53.27 3dpg s ALA 305 Cb -0.01 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 3dpg s ALA 305 CO 0.23 -0.98 0.55 0.08 0.00 0.00 0.00 175.76 175.65 3dpg s VAL 306 N -1.38 5.06 0.29 0.00 1.01 -1.26 -4.57 120.40 119.55 3dpg s VAL 306 Ca 0.65 0.99 -0.20 0.00 0.00 0.00 0.00 61.98 63.42 3dpg s VAL 306 Cb -0.36 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.20 3dpg s VAL 306 CO 0.44 0.10 0.80 -1.38 0.00 0.00 0.00 175.10 175.06 3dpg s HIS 307 N 2.10 -0.06 0.60 5.22 -3.43 -1.26 -5.06 115.29 113.40 3dpg s HIS 307 Ca 0.24 -0.45 -0.19 0.00 -0.80 0.00 0.00 55.06 53.86 3dpg s HIS 307 Cb -0.16 0.74 -0.03 0.00 -1.43 0.00 0.00 32.58 31.71 3dpg s HIS 307 CO 0.09 -1.27 1.26 1.03 -2.00 0.00 0.00 174.74 173.85 3dpg s ARG 308 N -3.16 2.90 -0.03 -0.38 0.52 -1.26 -0.49 118.95 117.05 3dpg s ARG 308 Ca 0.13 1.96 -0.25 0.00 -0.52 0.00 0.00 55.73 57.06 3dpg s ARG 308 Cb -0.05 -1.97 -0.19 0.00 0.52 0.00 0.00 34.95 33.26 3dpg s ARG 308 CO 0.08 -1.30 1.13 0.00 0.02 0.00 0.00 175.30 175.23 3dpg h ALA 309 N 0.92 -0.12 -2.99 2.13 0.00 -1.48 -3.40 119.26 114.32 3dpg h ALA 309 Ca -0.51 -0.24 -0.64 0.00 0.00 0.00 0.00 54.91 53.52 3dpg h ALA 309 Cb 1.31 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.94 3dpg h ALA 309 CO 0.55 -0.30 -0.59 0.42 0.00 0.00 0.00 179.25 179.33 3dpg s ILE 310 N -3.98 4.61 0.34 0.00 -1.09 -1.26 -4.45 121.20 115.36 3dpg s ILE 310 Ca -0.15 -0.07 0.09 0.00 -2.23 0.00 0.00 60.65 58.29 3dpg s ILE 310 Cb 0.01 -3.15 0.08 0.00 -1.58 0.00 0.00 42.46 37.82 3dpg s ILE 310 CO 0.60 0.34 1.78 0.08 -1.23 0.00 0.00 174.94 176.51 3dpg h ARG 311 N 8.04 0.18 -1.40 2.79 0.11 -1.06 -3.45 114.38 119.59 3dpg h ARG 311 Ca -0.37 -0.07 0.13 0.00 0.10 0.00 0.00 59.98 59.77 3dpg h ARG 311 Cb 1.18 -0.01 -0.26 0.00 1.11 0.00 0.00 29.97 31.99 3dpg h ARG 311 CO 0.59 0.50 0.66 -2.00 0.10 0.00 0.00 179.97 179.81 3dpg s GLU 312 N -4.29 0.39 -0.37 0.08 2.12 -1.26 -5.07 118.70 110.30 3dpg s GLU 312 Ca -0.04 0.20 -0.13 0.00 0.36 0.00 0.00 54.97 55.36 3dpg s GLU 312 Cb 0.14 0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.72 3dpg s GLU 312 CO 0.75 -0.10 0.24 -1.17 -0.54 0.00 0.00 175.26 174.44 3dpg s LEU 313 N -0.65 4.70 -0.19 2.70 2.96 -1.26 -1.98 118.68 124.96 3dpg s LEU 313 Ca 0.03 -0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 53.14 3dpg s LEU 313 Cb -0.02 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3dpg s LEU 313 CO -0.04 -0.33 0.07 -0.47 -1.32 0.00 0.00 176.35 174.26 3dpg s TYR 314 N 1.66 3.25 -0.60 5.38 5.04 0.88 -4.99 117.35 127.97 3dpg s TYR 314 Ca 0.05 0.06 -0.02 0.00 -2.44 0.00 0.00 57.07 54.72 3dpg s TYR 314 Cb -0.18 -2.11 0.15 0.00 0.35 0.00 0.00 41.96 40.17 3dpg s TYR 314 CO 0.09 0.11 0.40 0.08 -1.34 0.00 0.00 175.55 174.89 3dpg s VAL 315 N 0.54 3.50 0.03 3.14 1.01 -1.26 -1.28 120.40 126.08 3dpg s VAL 315 Ca 0.04 -2.99 -0.30 0.00 0.00 0.00 0.00 61.98 58.73 3dpg s VAL 315 Cb -0.13 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.86 3dpg s VAL 315 CO 0.01 -0.86 1.92 -2.16 0.00 0.00 0.00 175.10 174.02 3dpg s PRO 316 N -0.06 4.15 0.12 2.72 0.04 -1.26 -4.89 135.00 135.82 3dpg s PRO 316 Ca 0.17 2.56 -0.07 0.00 0.04 0.00 0.00 61.00 63.69 3dpg s PRO 316 Cb -0.21 -4.12 -0.12 0.00 0.04 0.00 0.00 34.50 30.08 3dpg s PRO 316 CO -0.03 -0.94 1.28 -1.00 0.04 0.00 0.00 177.00 176.35 3dpg h PRO 317 N 10.40 0.50 -4.46 0.56 0.13 -1.95 -3.42 132.00 133.76 3dpg h PRO 317 Ca -0.48 -0.53 -0.19 0.00 -0.87 0.00 0.00 66.00 63.93 3dpg h PRO 317 Cb 1.23 0.15 -0.15 0.00 0.13 0.00 0.00 31.00 32.36 3dpg h PRO 317 CO 0.94 1.16 -0.65 0.95 -0.23 0.00 0.00 178.00 180.18 3dpg s THR 318 N -3.32 0.15 0.25 1.56 -4.23 -1.26 -0.40 115.64 108.39 3dpg s THR 318 Ca -0.07 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 3dpg s THR 318 Cb 0.08 -2.07 0.11 0.00 1.34 0.00 0.00 72.50 71.97 3dpg s THR 318 CO 0.88 -0.45 1.75 0.00 -0.54 0.00 0.00 174.62 176.26 3dpg h ALA 319 N 2.84 1.08 -0.82 3.99 0.00 -1.74 -2.55 119.26 122.06 3dpg h ALA 319 Ca -0.35 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3dpg h ALA 319 Cb 1.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3dpg h ALA 319 CO 0.59 0.58 0.52 0.00 0.00 0.00 0.00 179.25 180.95 3dpg h ALA 320 N 1.24 1.38 -0.51 0.00 0.00 -1.68 -1.30 119.26 118.38 3dpg h ALA 320 Ca 0.15 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3dpg h ALA 320 Cb 0.46 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3dpg h ALA 320 CO 0.02 0.56 -0.09 0.22 0.00 0.00 0.00 179.25 179.96 3dpg h ASP 321 N 1.12 0.96 -0.44 0.00 3.58 -1.76 0.46 116.42 120.33 3dpg h ASP 321 Ca 0.30 -0.35 0.04 0.00 0.42 0.00 0.00 57.03 57.44 3dpg h ASP 321 Cb -0.10 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.65 3dpg h ASP 321 CO -0.06 1.08 0.22 0.25 -2.88 0.00 0.00 179.24 177.85 3dpg h LEU 322 N 0.83 0.31 -0.02 2.28 5.85 -1.05 -0.29 115.31 123.21 3dpg h LEU 322 Ca 0.13 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3dpg h LEU 322 Cb 0.64 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 3dpg h LEU 322 CO 0.04 0.22 0.01 0.00 -0.34 0.00 0.00 178.44 178.38 3dpg h ALA 323 N 1.24 0.03 -0.81 1.25 0.00 -1.06 -1.74 119.26 118.17 3dpg h ALA 323 Ca 0.19 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3dpg h ALA 323 Cb 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3dpg h ALA 323 CO -0.14 -0.45 0.48 -0.09 0.00 0.00 0.00 179.25 179.05 3dpg h ARG 324 N -0.01 0.82 -0.36 0.00 2.43 -0.67 -1.20 114.38 115.40 3dpg h ARG 324 Ca 0.01 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 3dpg h ARG 324 Cb 0.04 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3dpg h ARG 324 CO -0.00 0.54 -0.37 -0.09 -1.51 0.00 0.00 179.97 178.54 3dpg h ARG 325 N 0.84 0.85 -0.28 0.20 2.43 -0.93 -1.36 114.38 116.13 3dpg h ARG 325 Ca 0.37 -0.43 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 3dpg h ARG 325 Cb 0.25 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3dpg h ARG 325 CO -0.20 1.07 -0.26 0.35 -1.51 0.00 0.00 179.97 179.42 3dpg h PHE 326 N 0.70 0.79 -0.21 2.20 3.57 -0.96 -0.20 116.94 122.84 3dpg h PHE 326 Ca 0.06 -0.23 0.05 0.00 3.53 0.00 0.00 57.97 61.37 3dpg h PHE 326 Cb 0.94 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 3dpg h PHE 326 CO 0.05 0.96 -0.08 0.74 -2.23 0.00 0.00 178.31 177.75 3dpg h PHE 327 N 0.40 -0.19 -0.87 0.41 0.04 -1.17 -0.39 116.94 115.16 3dpg h PHE 327 Ca 0.05 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.87 3dpg h PHE 327 Cb 0.82 0.12 -0.05 0.00 2.20 0.00 0.00 35.95 39.04 3dpg h PHE 327 CO 0.07 -0.13 0.57 0.00 -0.60 0.00 0.00 178.31 178.22 3dpg h ALA 328 N 1.14 1.45 -0.28 2.45 0.00 -1.12 -0.19 119.26 122.70 3dpg h ALA 328 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3dpg h ALA 328 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dpg h ALA 328 CO -0.24 0.47 0.12 0.35 0.00 0.00 0.00 179.25 179.95 3dpg h PHE 329 N 1.09 0.43 -0.69 0.00 3.57 -0.44 -2.73 116.94 118.18 3dpg h PHE 329 Ca 0.34 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3dpg h PHE 329 Cb 0.01 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3dpg h PHE 329 CO -0.00 0.42 0.25 -0.07 -2.23 0.00 0.00 178.31 176.67 3dpg h LEU 330 N 0.31 0.96 -1.10 0.59 3.38 -0.44 0.16 115.31 119.17 3dpg h LEU 330 Ca 0.10 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.04 3dpg h LEU 330 Cb 0.16 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 3dpg h LEU 330 CO -0.01 0.87 0.61 -1.13 0.09 0.00 0.00 178.44 178.88 3dpg h ASN 331 N 1.01 0.84 0.00 -0.43 -1.24 -0.88 -0.76 115.58 114.12 3dpg h ASN 331 Ca 0.23 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 3dpg h ASN 331 Cb 0.24 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.16 3dpg h ASN 331 CO -0.01 0.45 -0.19 -0.33 -1.29 0.00 0.00 177.43 176.05 3dpg h GLU 332 N 0.90 0.00 -0.98 6.67 5.08 -1.08 -3.37 114.58 121.82 3dpg h GLU 332 Ca 0.48 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.89 3dpg h GLU 332 Cb 0.54 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 3dpg h GLU 332 CO -0.24 0.14 0.64 -0.09 -1.00 0.00 0.00 179.01 178.45 3dpg h ARG 333 N -1.00 1.15 0.00 2.33 9.65 -0.68 -2.37 114.38 123.46 3dpg h ARG 333 Ca -0.02 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3dpg h ARG 333 Cb 0.28 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 3dpg h ARG 333 CO -0.01 0.76 0.00 -1.33 2.80 0.00 0.00 179.97 182.19 3dpg n MET 334 N -4.47 0.11 0.30 0.20 2.81 -0.30 -1.95 117.12 113.83 3dpg n MET 334 Ca 0.14 0.22 0.19 0.00 -1.81 0.00 0.00 57.70 56.44 3dpg n MET 334 Cb 0.14 -1.66 0.94 0.00 -0.71 0.00 0.00 33.22 31.93 3dpg n MET 334 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3dpg h GLU 335 N 0.00 0.00 0.00 0.03 4.81 -1.58 -1.71 114.58 116.13 3dpg h GLU 335 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dpg h GLU 335 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3dpg h GLU 335 CO 0.00 0.03 0.00 -0.07 -0.73 0.00 0.00 179.01 178.24 3dpg h LEU 336 N 0.00 0.00 -9.15 1.64 3.38 -1.55 -3.43 115.31 106.20 3dpg h LEU 336 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3dpg h LEU 336 Cb 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 3dpg h LEU 336 CO 0.00 0.00 -0.02 -0.69 0.09 0.00 0.00 178.44 177.83 3dpg s VAL 337 N -3.34 5.10 0.22 1.22 1.01 -0.64 -5.03 120.40 118.93 3dpg s VAL 337 Ca 0.05 1.01 -0.32 0.00 0.00 0.00 0.00 61.98 62.73 3dpg s VAL 337 Cb 0.09 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 3dpg s VAL 337 CO 0.54 0.18 1.68 0.59 0.00 0.00 0.00 175.10 178.09 3dpg n ASN 338 N 4.69 3.86 0.00 3.32 3.02 -1.26 -4.95 115.26 123.94 3dpg n ASN 338 Ca -0.04 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 3dpg n ASN 338 Cb 0.50 -1.56 0.01 0.00 -0.61 0.00 0.00 39.78 38.12 3dpg n ASN 338 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25