#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gep s SER 4 N 0.00 6.78 0.00 6.15 0.15 -1.26 -4.90 113.70 120.62 3gep s SER 4 Ca 0.00 2.10 0.04 0.00 0.70 0.00 0.00 55.95 58.79 3gep s SER 4 Cb 0.00 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.90 3gep s SER 4 CO 0.00 -0.83 1.11 -0.81 1.20 0.00 0.00 173.24 173.91 3gep n PRO 5 N 6.40 1.28 0.00 5.44 -0.04 -1.26 -4.79 135.00 142.03 3gep n PRO 5 Ca 0.15 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 3gep n PRO 5 Cb 0.43 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 3gep n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gep n GLY 6 N 0.70 -1.84 3.62 0.55 0.00 -1.26 -3.79 105.19 103.18 3gep n GLY 6 Ca 0.04 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3gep n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gep s VAL 7 N 0.00 3.59 -0.24 1.61 1.01 -0.45 -4.77 120.40 121.15 3gep s VAL 7 Ca 0.00 0.65 -0.25 0.00 0.00 0.00 0.00 61.98 62.38 3gep s VAL 7 Cb 0.00 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 3gep s VAL 7 CO 0.00 -0.31 0.87 -0.69 0.00 0.00 0.00 175.10 174.97 3gep s VAL 8 N 5.71 4.80 -0.36 2.92 1.01 -1.26 -0.93 120.40 132.28 3gep s VAL 8 Ca 0.75 1.65 -0.14 0.00 0.00 0.00 0.00 61.98 64.24 3gep s VAL 8 Cb -0.25 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 3gep s VAL 8 CO 0.31 -0.11 0.31 -0.63 0.00 0.00 0.00 175.10 174.98 3gep s ILE 9 N 2.93 5.23 0.92 2.22 1.01 0.01 -4.96 121.20 128.55 3gep s ILE 9 Ca 0.37 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 3gep s ILE 9 Cb -0.15 -3.83 0.14 0.00 0.01 0.00 0.00 42.46 38.63 3gep s ILE 9 CO 0.07 -0.14 1.09 -0.44 0.00 0.00 0.00 174.94 175.53 3gep s SER 10 N 1.73 3.30 0.31 3.58 0.01 -1.26 -3.87 113.70 117.50 3gep s SER 10 Ca 0.08 1.39 0.14 0.00 1.31 0.00 0.00 55.95 58.87 3gep s SER 10 Cb -0.17 -2.06 0.46 0.00 0.21 0.00 0.00 66.02 64.45 3gep s SER 10 CO 0.11 -2.73 1.64 0.44 0.41 0.00 0.00 173.24 173.11 3gep h ASP 11 N -1.61 0.00 0.39 2.44 3.32 -1.98 -2.84 116.42 116.14 3gep h ASP 11 Ca -0.51 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.23 3gep h ASP 11 Cb 1.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 3gep h ASP 11 CO 0.56 0.52 -1.79 0.47 -1.72 0.00 0.00 179.24 177.27 3gep n ASP 12 N -3.62 1.14 0.00 6.45 9.92 -1.26 -4.62 116.55 124.55 3gep n ASP 12 Ca -0.00 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 3gep n ASP 12 Cb 0.59 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 3gep n ASP 12 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gep n GLU 13 N -3.14 0.00 0.00 -1.24 4.71 -1.26 -5.03 120.64 114.69 3gep n GLU 13 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.94 3gep n GLU 13 Cb 1.05 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.48 3gep n GLU 13 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 3gep n PRO 14 N 0.00 0.00 -1.40 3.49 -0.03 -1.07 -4.94 135.00 131.05 3gep n PRO 14 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 63.50 63.17 3gep n PRO 14 Cb 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 33.50 33.66 3gep n PRO 14 CO 0.00 0.00 0.00 0.20 -0.03 0.00 0.00 175.50 175.67 3gep s GLY 15 N 0.00 1.62 0.11 -1.23 0.00 -1.26 -4.77 107.32 101.80 3gep s GLY 15 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 43.94 3gep s GLY 15 CO 0.00 -0.09 -0.02 -0.19 0.00 0.00 0.00 173.10 172.80 3gep s TYR 16 N -3.28 2.90 0.35 1.90 2.02 0.39 -4.94 117.35 116.69 3gep s TYR 16 Ca 0.69 -0.08 -0.28 0.00 -0.37 0.00 0.00 57.07 57.03 3gep s TYR 16 Cb -0.11 -1.48 -0.12 0.00 -0.40 0.00 0.00 41.96 39.86 3gep s TYR 16 CO 0.55 0.48 1.41 -3.47 -1.57 0.00 0.00 175.55 172.95 3gep n ASP 17 N 0.41 3.32 -0.24 2.29 2.03 -1.26 -2.06 116.55 121.05 3gep n ASP 17 Ca -0.11 1.21 0.02 0.00 0.52 0.00 0.00 54.79 56.43 3gep n ASP 17 Cb 0.53 -1.55 0.26 0.00 -0.72 0.00 0.00 41.12 39.63 3gep n ASP 17 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3gep h LEU 18 N 3.04 0.85 0.00 -2.67 3.38 -1.95 -2.22 115.31 115.74 3gep h LEU 18 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3gep h LEU 18 Cb 1.26 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3gep h LEU 18 CO 0.66 0.59 0.00 0.47 0.09 0.00 0.00 178.44 180.25 3gep n ASP 19 N -4.44 0.00 0.04 -0.43 9.92 -1.26 -2.71 116.55 117.67 3gep n ASP 19 Ca 0.10 -0.56 0.12 0.00 -0.53 0.00 0.00 54.79 53.92 3gep n ASP 19 Cb 0.09 -0.06 0.21 0.00 -0.64 0.00 0.00 41.12 40.73 3gep n ASP 19 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3gep n LEU 20 N -1.06 0.61 -4.36 0.64 4.77 -0.83 -4.95 117.00 111.82 3gep n LEU 20 Ca 0.15 0.16 -0.18 0.00 -0.03 0.00 0.00 56.01 56.12 3gep n LEU 20 Cb 0.09 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 3gep n LEU 20 CO 0.13 0.00 -0.31 -0.36 -1.33 0.00 0.00 177.39 175.52 3gep s PHE 21 N -3.11 1.66 -0.32 -1.77 0.08 -1.10 -5.09 117.98 108.32 3gep s PHE 21 Ca 0.08 -0.93 -0.26 0.00 0.12 0.00 0.00 56.93 55.94 3gep s PHE 21 Cb 0.15 -0.99 0.01 0.00 -0.57 0.00 0.00 43.02 41.62 3gep s PHE 21 CO 0.71 -0.03 0.90 0.00 -0.10 0.00 0.00 175.22 176.70 3gep s ILE 23 N 3.26 1.04 0.25 0.00 -4.36 -1.26 -4.95 121.20 115.18 3gep s ILE 23 Ca 0.38 -0.56 -0.31 0.00 -0.26 0.00 0.00 60.65 59.90 3gep s ILE 23 Cb -0.13 -0.87 -0.14 0.00 1.25 0.00 0.00 42.46 42.57 3gep s ILE 23 CO 0.14 0.30 1.29 -0.81 0.24 0.00 0.00 174.94 176.10 3gep n PRO 24 N 2.79 1.78 0.23 0.37 -0.04 -1.26 -4.87 135.00 134.00 3gep n PRO 24 Ca -0.14 0.63 0.08 0.00 -0.04 0.00 0.00 63.50 64.03 3gep n PRO 24 Cb 0.55 -2.21 0.62 0.00 -0.04 0.00 0.00 33.50 32.42 3gep n PRO 24 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3gep h ASN 25 N 3.52 0.05 0.44 3.54 2.35 -2.01 -1.71 115.58 121.76 3gep h ASN 25 Ca -0.44 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3gep h ASN 25 Cb 1.30 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3gep h ASN 25 CO 0.71 0.04 0.00 0.00 -1.65 0.00 0.00 177.43 176.53 3gep n HIS 26 N -4.53 0.00 -0.28 1.19 1.44 -1.26 -1.96 115.22 109.82 3gep n HIS 26 Ca -0.02 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.76 3gep n HIS 26 Cb 0.09 -0.39 0.21 0.00 0.12 0.00 0.00 29.99 30.02 3gep n HIS 26 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3gep n TYR 27 N -1.39 0.66 -0.32 -1.40 4.01 -0.64 -4.75 117.16 113.33 3gep n TYR 27 Ca 0.06 -0.52 0.17 0.00 -0.16 0.00 0.00 57.90 57.45 3gep n TYR 27 Cb 0.16 -0.04 0.36 0.00 -0.31 0.00 0.00 39.34 39.52 3gep n TYR 27 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gep h ALA 28 N 2.72 1.59 -0.07 -0.72 0.00 -1.46 -0.79 119.26 120.52 3gep h ALA 28 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gep h ALA 28 Cb 0.85 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gep h ALA 28 CO 0.02 -0.44 0.00 -1.91 0.00 0.00 0.00 179.25 176.91 3gep n GLU 29 N -5.08 1.84 -0.04 0.00 4.07 -1.26 -4.51 120.64 115.65 3gep n GLU 29 Ca 0.25 -1.74 0.12 0.00 -0.06 0.00 0.00 57.16 55.73 3gep n GLU 29 Cb 0.78 -1.39 0.14 0.00 -0.06 0.00 0.00 31.44 30.90 3gep n GLU 29 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3gep n ASP 30 N 1.14 3.08 -4.20 4.31 8.00 -0.30 -4.32 116.55 124.25 3gep n ASP 30 Ca 0.12 -1.99 -0.13 0.00 0.71 0.00 0.00 54.79 53.51 3gep n ASP 30 Cb 0.50 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.44 3gep n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gep s LEU 31 N -1.88 2.49 -0.20 0.64 1.43 -1.24 -1.39 118.68 118.52 3gep s LEU 31 Ca 0.31 -0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 52.28 3gep s LEU 31 Cb 0.21 -0.23 -0.07 0.00 0.03 0.00 0.00 46.19 46.12 3gep s LEU 31 CO 0.30 -0.36 -0.34 -0.62 0.23 0.00 0.00 176.35 175.56 3gep n GLU 32 N 0.06 0.53 -3.96 1.70 1.02 0.82 -4.55 120.64 116.26 3gep n GLU 32 Ca -0.12 0.22 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 3gep n GLU 32 Cb 0.60 -1.42 -0.09 0.00 -0.02 0.00 0.00 31.44 30.51 3gep n GLU 32 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3gep s ARG 33 N -2.79 0.72 -0.22 3.49 0.52 -1.26 -4.70 118.95 114.72 3gep s ARG 33 Ca -0.31 -1.05 -0.17 0.00 -0.52 0.00 0.00 55.73 53.67 3gep s ARG 33 Cb 0.07 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.78 3gep s ARG 33 CO 0.44 -0.19 0.48 0.08 0.02 0.00 0.00 175.30 176.12 3gep s VAL 34 N -3.79 5.13 -0.18 3.52 1.01 -0.88 -1.11 120.40 124.11 3gep s VAL 34 Ca 0.05 0.85 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 3gep s VAL 34 Cb 0.06 -3.80 -0.22 0.00 0.00 0.00 0.00 36.38 32.42 3gep s VAL 34 CO -0.10 0.18 0.30 -0.26 0.00 0.00 0.00 175.10 175.21 3gep h PHE 35 N 7.59 0.14 -2.94 5.22 -1.00 -1.39 1.14 116.94 125.70 3gep h PHE 35 Ca -0.33 -0.11 -0.52 0.00 2.81 0.00 0.00 57.97 59.82 3gep h PHE 35 Cb 1.15 -0.01 -0.40 0.00 3.61 0.00 0.00 35.95 40.31 3gep h PHE 35 CO 0.71 1.55 -0.77 0.42 -1.61 0.00 0.00 178.31 178.61 3gep s ILE 36 N -2.41 0.10 0.52 -0.55 1.01 -0.69 -4.75 121.20 114.43 3gep s ILE 36 Ca -0.26 -0.68 -0.21 0.00 0.00 0.00 0.00 60.65 59.49 3gep s ILE 36 Cb 0.06 -0.98 -0.07 0.00 0.01 0.00 0.00 42.46 41.48 3gep s ILE 36 CO 0.65 -0.57 1.02 -2.65 0.00 0.00 0.00 174.94 173.39 3gep n PRO 37 N 5.19 1.18 -0.25 2.79 -0.02 -1.26 -1.26 135.00 141.37 3gep n PRO 37 Ca -0.06 0.44 0.03 0.00 -2.02 0.00 0.00 63.50 61.88 3gep n PRO 37 Cb 0.44 -2.16 0.11 0.00 -0.02 0.00 0.00 33.50 31.87 3gep n PRO 37 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3gep h HIS 38 N 1.02 -0.24 -0.54 6.00 -0.00 -1.94 -1.75 115.15 117.71 3gep h HIS 38 Ca -0.47 0.06 -0.08 0.00 -0.00 0.00 0.00 60.37 59.88 3gep h HIS 38 Cb 1.35 0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 28.95 3gep h HIS 38 CO 0.40 -0.28 0.02 0.78 -0.00 0.00 0.00 177.93 178.86 3gep h GLY 39 N 0.04 0.97 0.85 5.26 0.00 -1.91 -1.68 103.07 106.60 3gep h GLY 39 Ca 0.37 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 47.07 3gep h GLY 39 CO -0.70 0.61 0.26 -2.00 0.00 0.00 0.00 176.54 174.71 3gep h LEU 40 N 0.84 0.41 -0.71 3.11 6.46 -1.70 -1.94 115.31 121.78 3gep h LEU 40 Ca 0.16 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 58.02 3gep h LEU 40 Cb 0.46 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.25 3gep h LEU 40 CO 0.02 0.29 0.36 0.40 -0.62 0.00 0.00 178.44 178.89 3gep h ILE 41 N 0.52 0.88 -0.29 4.05 2.04 -0.80 -1.88 117.51 122.02 3gep h ILE 41 Ca 0.19 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3gep h ILE 41 Cb 0.05 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 3gep h ILE 41 CO -0.10 0.11 0.13 0.24 0.00 0.00 0.00 178.15 178.53 3gep h MET 42 N 0.63 0.43 -0.50 2.37 2.86 -0.94 -0.38 114.93 119.39 3gep h MET 42 Ca 0.34 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.80 3gep h MET 42 Cb 0.33 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3gep h MET 42 CO -0.25 0.44 -0.10 -0.44 1.06 0.00 0.00 176.91 177.62 3gep h ASP 43 N 0.33 0.93 -0.51 1.22 3.32 -1.15 0.30 116.42 120.86 3gep h ASP 43 Ca 0.10 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 3gep h ASP 43 Cb 0.16 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3gep h ASP 43 CO -0.01 1.04 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.44 3gep h ARG 44 N 0.83 0.92 -0.46 3.56 9.65 -1.27 -2.78 114.38 124.83 3gep h ARG 44 Ca 0.13 -0.30 -0.05 0.00 -1.10 0.00 0.00 59.98 58.66 3gep h ARG 44 Cb 0.64 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 3gep h ARG 44 CO 0.04 0.95 0.07 1.15 2.80 0.00 0.00 179.97 184.98 3gep h THR 45 N 0.78 1.22 -0.59 0.20 2.02 -0.78 -0.45 112.91 115.31 3gep h THR 45 Ca 0.14 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.53 3gep h THR 45 Cb 0.55 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 3gep h THR 45 CO 0.03 0.30 0.36 -0.08 0.37 0.00 0.00 175.52 176.50 3gep h GLU 46 N 0.69 0.69 -0.31 6.66 4.81 -0.84 -1.35 114.58 124.94 3gep h GLU 46 Ca 0.15 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3gep h GLU 46 Cb 0.32 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3gep h GLU 46 CO 0.00 0.46 0.06 -0.09 -0.73 0.00 0.00 179.01 178.72 3gep h ARG 47 N 0.72 0.50 -0.68 1.92 9.65 -1.12 -2.90 114.38 122.47 3gep h ARG 47 Ca 0.24 -0.13 0.14 0.00 -1.10 0.00 0.00 59.98 59.13 3gep h ARG 47 Cb 0.02 -0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 28.44 3gep h ARG 47 CO -0.10 0.58 0.15 -0.07 2.80 0.00 0.00 179.97 183.34 3gep h LEU 48 N 0.33 0.01 -0.73 3.80 3.38 -0.82 0.79 115.31 122.07 3gep h LEU 48 Ca 0.09 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.28 3gep h LEU 48 Cb 0.32 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 3gep h LEU 48 CO 0.00 -0.01 0.39 0.00 0.09 0.00 0.00 178.44 178.91 3gep h ALA 49 N 1.55 1.00 -0.27 1.53 0.00 -1.12 0.32 119.26 122.28 3gep h ALA 49 Ca 0.37 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 3gep h ALA 49 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3gep h ALA 49 CO -0.46 0.02 -0.42 -0.09 0.00 0.00 0.00 179.25 178.29 3gep h ARG 50 N 0.68 0.68 -0.53 0.00 1.12 -1.08 -1.68 114.38 113.57 3gep h ARG 50 Ca 0.35 -0.36 -0.03 0.00 -1.11 0.00 0.00 59.98 58.82 3gep h ARG 50 Cb 0.31 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 3gep h ARG 50 CO -0.24 0.97 0.21 -0.44 -3.11 0.00 0.00 179.97 177.37 3gep h ASP 51 N 0.55 0.72 -0.95 -3.80 3.32 -0.16 -1.77 116.42 114.34 3gep h ASP 51 Ca 0.04 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 56.95 3gep h ASP 51 Cb 0.96 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 3gep h ASP 51 CO 0.09 0.69 0.62 0.58 -1.72 0.00 0.00 179.24 179.50 3gep h VAL 52 N 0.71 1.18 0.00 -1.35 2.07 -0.18 -3.00 116.25 115.68 3gep h VAL 52 Ca 0.18 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 3gep h VAL 52 Cb 0.20 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 3gep h VAL 52 CO -0.01 0.22 -0.77 0.24 0.02 0.00 0.00 177.57 177.27 3gep h MET 53 N 1.22 0.00 -0.76 1.57 2.86 -1.07 -0.38 114.93 118.37 3gep h MET 53 Ca 0.37 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.99 3gep h MET 53 Cb -0.04 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 3gep h MET 53 CO -0.11 0.77 0.42 -0.22 1.06 0.00 0.00 176.91 178.83 3gep h LYS 54 N 0.00 1.06 0.00 1.72 3.64 -1.19 0.31 116.57 122.10 3gep h LYS 54 Ca -0.01 -0.11 -0.22 0.00 -1.27 0.00 0.00 60.65 59.04 3gep h LYS 54 Cb 1.47 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 3gep h LYS 54 CO 0.10 0.77 -1.41 0.93 -2.27 0.00 0.00 179.45 177.57 3gep h GLU 55 N 1.06 0.00 0.00 1.90 5.08 -1.42 -3.40 114.58 117.80 3gep h GLU 55 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3gep h GLU 55 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3gep h GLU 55 CO -0.04 0.47 0.00 -1.33 -1.00 0.00 0.00 179.01 177.11 3gep n MET 56 N -3.03 1.86 -0.95 2.33 2.81 -0.17 -5.10 117.12 114.87 3gep n MET 56 Ca -0.10 -0.10 -0.32 0.00 -1.81 0.00 0.00 57.70 55.37 3gep n MET 56 Cb 0.93 -0.46 0.14 0.00 -0.71 0.00 0.00 33.22 33.12 3gep n MET 56 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3gep s GLY 57 N -0.30 1.81 0.00 3.03 0.00 0.11 -3.63 107.32 108.34 3gep s GLY 57 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.30 3gep s GLY 57 CO 0.00 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.69 3gep n GLY 58 N -0.06 2.63 3.44 0.20 0.00 -1.26 -5.00 105.19 105.15 3gep n GLY 58 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3gep n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gep s HIS 59 N -2.84 2.32 0.03 1.61 3.76 -1.24 -5.04 115.29 113.89 3gep s HIS 59 Ca 0.00 -0.35 -0.06 0.00 -0.15 0.00 0.00 55.06 54.51 3gep s HIS 59 Cb 0.00 -1.12 -0.01 0.00 1.11 0.00 0.00 32.58 32.56 3gep s HIS 59 CO 0.00 0.54 0.88 1.58 -0.85 0.00 0.00 174.74 176.89 3gep n HIS 60 N 0.08 -0.08 -1.68 1.40 -0.00 -1.26 -4.91 115.22 108.77 3gep n HIS 60 Ca -0.11 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 3gep n HIS 60 Cb 0.57 -0.43 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 3gep n HIS 60 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 3gep n ILE 61 N -3.31 -5.21 -3.78 3.57 -6.64 -1.26 -4.38 119.36 98.35 3gep n ILE 61 Ca 0.00 2.39 -0.37 0.00 -1.77 0.00 0.00 62.75 63.01 3gep n ILE 61 Cb 0.05 -3.30 -0.13 0.00 -1.44 0.00 0.00 39.64 34.82 3gep n ILE 61 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 3gep s VAL 62 N -3.51 3.93 -0.41 7.28 1.01 0.24 -3.02 120.40 125.91 3gep s VAL 62 Ca 0.00 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 3gep s VAL 62 Cb 0.00 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.44 3gep s VAL 62 CO 0.00 0.17 0.75 0.00 0.00 0.00 0.00 175.10 176.03 3gep s ALA 63 N 1.51 3.35 -0.30 5.51 0.00 0.53 -0.26 121.76 132.10 3gep s ALA 63 Ca 0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 3gep s ALA 63 Cb -0.16 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.60 3gep s ALA 63 CO 0.02 -1.72 0.04 -1.17 0.00 0.00 0.00 175.76 172.92 3gep s LEU 64 N 3.13 3.92 -0.22 0.00 2.96 0.90 -0.65 118.68 128.71 3gep s LEU 64 Ca 0.29 -1.08 -0.25 0.00 -0.22 0.00 0.00 54.13 52.87 3gep s LEU 64 Cb -0.13 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 3gep s LEU 64 CO 0.20 -0.25 0.85 0.00 -1.32 0.00 0.00 176.35 175.82 3gep s VAL 66 N 2.70 3.45 -0.35 0.00 1.01 -0.61 0.24 120.40 126.84 3gep s VAL 66 Ca 0.36 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 3gep s VAL 66 Cb -0.16 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 3gep s VAL 66 CO 0.08 -1.15 0.51 -0.22 0.00 0.00 0.00 175.10 174.32 3gep s LEU 67 N 8.28 4.36 0.00 3.92 0.20 0.09 -4.83 118.68 130.70 3gep s LEU 67 Ca 0.59 -0.05 0.00 0.00 0.69 0.00 0.00 54.13 55.36 3gep s LEU 67 Cb -0.11 -2.58 0.00 0.00 -0.43 0.00 0.00 46.19 43.07 3gep s LEU 67 CO 0.18 -0.48 0.00 0.29 -0.29 0.00 0.00 176.35 176.05 3gep n LYS 68 N 5.74 0.00 -0.00 1.98 5.02 -1.26 -0.86 118.16 128.77 3gep n LYS 68 Ca -0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.07 3gep n LYS 68 Cb 0.49 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.36 3gep n LYS 68 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3gep h GLY 69 N 0.00 0.21 -0.32 0.72 0.00 -1.91 -3.48 103.07 98.30 3gep h GLY 69 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 3gep h GLY 69 CO 0.00 0.44 0.08 0.61 0.00 0.00 0.00 176.54 177.67 3gep n GLY 70 N 1.55 1.75 1.26 4.60 0.00 -1.26 -5.04 105.19 108.05 3gep n GLY 70 Ca -0.12 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 44.83 3gep n GLY 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gep n TYR 71 N -0.17 0.00 -0.31 1.61 0.18 -1.26 -4.76 117.16 112.45 3gep n TYR 71 Ca -0.03 -0.59 0.02 0.00 1.88 0.00 0.00 57.90 59.19 3gep n TYR 71 Cb 0.19 -0.15 0.16 0.00 -0.38 0.00 0.00 39.34 39.15 3gep n TYR 71 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 3gep h LYS 72 N 0.88 0.89 -0.21 -3.48 1.63 -1.90 0.04 116.57 114.44 3gep h LYS 72 Ca -0.17 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.51 3gep h LYS 72 Cb 1.72 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 33.14 3gep h LYS 72 CO 0.08 0.59 -0.12 0.35 -3.45 0.00 0.00 179.45 176.90 3gep h PHE 73 N 0.92 0.52 -0.33 1.91 3.57 -1.90 -2.03 116.94 119.60 3gep h PHE 73 Ca 0.39 -0.13 0.07 0.00 3.53 0.00 0.00 57.97 61.83 3gep h PHE 73 Cb 0.25 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.80 3gep h PHE 73 CO -0.04 0.75 -0.23 0.35 -2.23 0.00 0.00 178.31 176.91 3gep h PHE 74 N 0.14 -0.59 -0.66 0.41 3.57 -1.85 0.29 116.94 118.26 3gep h PHE 74 Ca 0.04 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3gep h PHE 74 Cb 0.62 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 3gep h PHE 74 CO 0.07 -0.30 0.40 0.00 -2.23 0.00 0.00 178.31 176.25 3gep h ALA 75 N 0.96 0.86 -0.28 2.41 0.00 -0.88 -1.14 119.26 121.18 3gep h ALA 75 Ca 0.17 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3gep h ALA 75 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gep h ALA 75 CO -0.44 0.15 -0.56 -0.44 0.00 0.00 0.00 179.25 177.96 3gep h ASP 76 N 0.78 0.96 -0.60 0.00 3.32 -1.10 -1.68 116.42 118.11 3gep h ASP 76 Ca 0.27 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 3gep h ASP 76 Cb 0.05 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3gep h ASP 76 CO -0.12 1.32 0.30 0.25 -1.72 0.00 0.00 179.24 179.27 3gep h LEU 77 N 0.66 0.77 -0.56 1.55 6.46 -0.71 -2.33 115.31 121.14 3gep h LEU 77 Ca 0.01 -0.12 -0.11 0.00 -0.12 0.00 0.00 57.88 57.54 3gep h LEU 77 Cb 1.16 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.88 3gep h LEU 77 CO 0.12 0.68 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.47 3gep h LEU 78 N 0.81 1.04 -0.71 2.25 4.07 -1.21 0.05 115.31 121.61 3gep h LEU 78 Ca 0.21 -0.34 0.09 0.00 0.08 0.00 0.00 57.88 57.92 3gep h LEU 78 Cb 0.10 -0.28 -0.07 0.00 1.08 0.00 0.00 40.66 41.49 3gep h LEU 78 CO -0.03 1.13 0.36 0.44 -1.08 0.00 0.00 178.44 179.26 3gep h ASP 79 N 0.93 0.47 -0.29 -0.43 3.32 -1.10 0.15 116.42 119.47 3gep h ASP 79 Ca 0.15 0.06 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 3gep h ASP 79 Cb 0.64 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3gep h ASP 79 CO 0.04 0.27 -0.41 1.88 -1.72 0.00 0.00 179.24 179.31 3gep h TYR 80 N 0.61 0.97 -0.40 4.55 0.05 -1.07 -2.33 116.97 119.35 3gep h TYR 80 Ca 0.35 -0.32 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3gep h TYR 80 Cb 0.35 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 3gep h TYR 80 CO -0.10 1.11 0.21 0.82 -1.05 0.00 0.00 178.16 179.15 3gep h ILE 81 N 0.56 1.16 -0.81 -2.88 2.04 -0.75 -2.60 117.51 114.22 3gep h ILE 81 Ca 0.03 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.51 3gep h ILE 81 Cb 1.00 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3gep h ILE 81 CO 0.10 0.17 0.53 0.11 0.00 0.00 0.00 178.15 179.05 3gep h LYS 82 N 0.52 0.95 0.00 2.37 1.57 -0.72 -1.66 116.57 119.60 3gep h LYS 82 Ca 0.14 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3gep h LYS 82 Cb 0.07 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3gep h LYS 82 CO -0.02 0.63 -0.26 0.00 -0.57 0.00 0.00 179.45 179.23 3gep h ALA 83 N 1.53 1.20 0.03 3.86 0.00 -1.14 -2.63 119.26 122.12 3gep h ALA 83 Ca 0.33 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 3gep h ALA 83 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gep h ALA 83 CO -0.10 0.33 -0.97 -0.07 0.00 0.00 0.00 179.25 178.44 3gep h LEU 84 N 0.00 0.30 -1.29 0.00 3.38 -1.02 -3.28 115.31 113.40 3gep h LEU 84 Ca -0.00 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3gep h LEU 84 Cb 0.61 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3gep h LEU 84 CO 0.03 1.10 -0.31 0.78 0.09 0.00 0.00 178.44 180.14 3gep h ASN 85 N 0.11 0.00 -0.96 -0.43 -0.26 -0.97 -3.24 115.58 109.82 3gep h ASN 85 Ca -0.06 0.00 0.26 0.00 -0.56 0.00 0.00 56.30 55.94 3gep h ASN 85 Cb 1.63 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.75 3gep h ASN 85 CO 0.15 0.31 0.50 0.03 -1.06 0.00 0.00 177.43 177.36 3gep h ARG 86 N 0.00 0.40 0.00 0.81 3.08 -1.55 -2.68 114.38 114.44 3gep h ARG 86 Ca -0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3gep h ARG 86 Cb 0.67 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3gep h ARG 86 CO 0.04 0.26 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.08 3gep h ASN 87 N 0.41 0.00 -3.41 7.04 2.35 -1.78 -3.47 115.58 116.72 3gep h ASN 87 Ca 0.64 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.82 3gep h ASN 87 Cb 1.31 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.82 3gep h ASN 87 CO -0.55 0.22 0.33 -1.54 -1.65 0.00 0.00 177.43 174.24 3gep n SER 88 N -3.16 1.84 0.01 5.81 3.41 -1.01 -4.92 113.62 115.59 3gep n SER 88 Ca 0.03 1.03 -0.06 0.00 -0.26 0.00 0.00 58.87 59.60 3gep n SER 88 Cb 0.61 -1.44 0.12 0.00 -0.26 0.00 0.00 64.21 63.24 3gep n SER 88 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gep h ASP 89 N 1.61 0.55 -3.34 4.04 5.19 -1.91 -3.42 116.42 119.14 3gep h ASP 89 Ca -0.47 -0.24 -0.68 0.00 -0.62 0.00 0.00 57.03 55.02 3gep h ASP 89 Cb 1.32 -0.15 -0.16 0.00 0.18 0.00 0.00 39.33 40.52 3gep h ASP 89 CO 0.57 0.89 -0.63 -0.13 -3.12 0.00 0.00 179.24 176.83 3gep s ARG 90 N -4.24 3.02 -0.02 3.56 0.52 -1.26 -5.09 118.95 115.45 3gep s ARG 90 Ca -0.07 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 54.42 3gep s ARG 90 Cb 0.12 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3gep s ARG 90 CO 0.82 0.67 1.23 -1.54 0.02 0.00 0.00 175.30 176.49 3gep s SER 91 N -0.79 7.03 -0.24 0.23 1.04 -1.26 -5.01 113.70 114.69 3gep s SER 91 Ca 0.12 1.91 -0.09 0.00 0.48 0.00 0.00 55.95 58.37 3gep s SER 91 Cb -0.11 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 3gep s SER 91 CO 0.02 -0.57 0.12 -0.63 0.98 0.00 0.00 173.24 173.16 3gep s ILE 92 N 1.93 4.86 0.53 -1.02 -1.09 -1.26 -5.08 121.20 120.07 3gep s ILE 92 Ca 0.58 0.01 -0.20 0.00 -2.23 0.00 0.00 60.65 58.81 3gep s ILE 92 Cb -0.27 -3.27 -0.06 0.00 -1.58 0.00 0.00 42.46 37.28 3gep s ILE 92 CO 0.25 0.34 1.14 -2.16 -1.23 0.00 0.00 174.94 173.27 3gep s PRO 93 N 1.34 3.43 -0.08 2.79 0.04 -1.26 -4.99 135.00 136.27 3gep s PRO 93 Ca 0.06 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 3gep s PRO 93 Cb -0.15 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.33 3gep s PRO 93 CO 0.05 -0.80 -0.01 1.41 0.04 0.00 0.00 177.00 177.70 3gep s MET 94 N -3.15 0.77 -0.22 4.56 1.75 -1.26 -4.30 119.30 117.45 3gep s MET 94 Ca 0.71 0.03 -0.14 0.00 -1.25 0.00 0.00 55.69 55.04 3gep s MET 94 Cb -0.25 -1.10 -0.04 0.00 2.84 0.00 0.00 34.83 36.27 3gep s MET 94 CO 0.29 -0.30 0.34 0.99 -0.65 0.00 0.00 175.02 175.68 3gep s THR 95 N 1.92 5.24 -0.22 10.11 2.01 -1.17 -5.02 115.64 128.51 3gep s THR 95 Ca 0.05 0.56 -0.04 0.00 0.31 0.00 0.00 61.69 62.57 3gep s THR 95 Cb -0.12 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 3gep s THR 95 CO -0.06 0.27 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.43 3gep s VAL 96 N 1.29 3.56 0.09 3.82 1.01 -1.26 -0.35 120.40 128.56 3gep s VAL 96 Ca 0.16 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 3gep s VAL 96 Cb -0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3gep s VAL 96 CO 0.07 0.42 -0.01 -0.62 0.00 0.00 0.00 175.10 174.96 3gep s ASP 97 N 1.38 0.62 -0.04 3.32 2.15 0.17 -4.98 116.67 119.29 3gep s ASP 97 Ca 0.05 -1.08 0.06 0.00 0.43 0.00 0.00 52.55 52.00 3gep s ASP 97 Cb -0.14 0.20 -0.01 0.00 -0.30 0.00 0.00 42.92 42.67 3gep s ASP 97 CO -0.01 -0.61 -0.21 -0.36 -0.17 0.00 0.00 175.17 173.81 3gep s PHE 98 N -3.88 1.97 -0.32 -5.34 0.40 -1.26 -0.29 117.98 109.26 3gep s PHE 98 Ca 0.14 -0.51 -0.05 0.00 -0.60 0.00 0.00 56.93 55.91 3gep s PHE 98 Cb 0.07 -1.30 0.04 0.00 0.51 0.00 0.00 43.02 42.34 3gep s PHE 98 CO -0.04 -0.13 0.07 -1.50 0.70 0.00 0.00 175.22 174.32 3gep s ILE 99 N -0.21 3.62 -0.22 0.64 2.07 0.14 -4.88 121.20 122.36 3gep s ILE 99 Ca 0.01 -1.10 -0.21 0.00 -1.41 0.00 0.00 60.65 57.94 3gep s ILE 99 Cb -0.11 -3.01 -0.02 0.00 0.13 0.00 0.00 42.46 39.45 3gep s ILE 99 CO 0.01 -0.10 0.64 -0.60 -1.91 0.00 0.00 174.94 172.98 3gep s ARG 100 N 1.39 4.18 -0.19 3.50 3.52 -1.26 -0.73 118.95 129.35 3gep s ARG 100 Ca -0.02 0.61 -0.06 0.00 -0.13 0.00 0.00 55.73 56.14 3gep s ARG 100 Cb -0.19 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 3gep s ARG 100 CO 0.02 -0.31 0.01 -0.51 -0.81 0.00 0.00 175.30 173.70 3gep s LEU 101 N 2.16 3.40 0.26 -0.88 1.43 -0.04 -0.80 118.68 124.21 3gep s LEU 101 Ca 0.28 -0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.07 3gep s LEU 101 Cb -0.16 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 3gep s LEU 101 CO 0.10 0.10 0.74 -0.75 0.23 0.00 0.00 176.35 176.76 3gep s LYS 102 N 0.81 4.18 0.78 1.70 2.20 0.64 -4.57 119.74 125.47 3gep s LYS 102 Ca 0.01 0.82 -0.16 0.00 -0.36 0.00 0.00 55.97 56.27 3gep s LYS 102 Cb -0.14 -2.72 -0.09 0.00 -1.51 0.00 0.00 37.83 33.37 3gep s LYS 102 CO 0.02 0.31 -0.03 -1.13 -0.36 0.00 0.00 175.35 174.16 3gep n SER 103 N 0.34 -3.31 -1.42 1.43 3.41 -1.26 -4.30 113.62 108.50 3gep n SER 103 Ca -0.00 0.46 0.01 0.00 -0.26 0.00 0.00 58.87 59.08 3gep n SER 103 Cb 0.52 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3gep n SER 103 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gep n ASP 107 N 1.35 0.56 0.00 4.04 2.03 -1.26 -5.07 116.55 118.20 3gep n ASP 107 Ca 0.06 -2.00 0.00 0.00 0.52 0.00 0.00 54.79 53.36 3gep n ASP 107 Cb 0.51 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 3gep n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gep n GLN 108 N 0.36 2.75 -2.60 -0.67 1.13 -1.26 -4.81 117.38 112.28 3gep n GLN 108 Ca -0.02 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.88 3gep n GLN 108 Cb 1.04 -0.31 0.02 0.00 0.11 0.00 0.00 30.24 31.10 3gep n GLN 108 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3gep n SER 109 N -0.32 2.76 0.19 1.08 7.64 -1.26 -4.92 113.62 118.79 3gep n SER 109 Ca 0.00 -3.12 0.14 0.00 1.01 0.00 0.00 58.87 56.90 3gep n SER 109 Cb 0.00 -0.50 0.61 0.00 -1.01 0.00 0.00 64.21 63.30 3gep n SER 109 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3gep h THR 110 N 2.80 0.00 0.00 0.44 2.02 -1.97 -2.45 112.91 113.75 3gep h THR 110 Ca 0.06 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 3gep h THR 110 Cb 1.07 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3gep h THR 110 CO 0.64 0.00 -0.21 1.23 0.37 0.00 0.00 175.52 177.55 3gep h GLY 111 N 1.81 0.00 -6.77 2.16 0.00 -1.92 -3.28 103.07 95.08 3gep h GLY 111 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3gep h GLY 111 CO 0.00 0.00 1.00 0.99 0.00 0.00 0.00 176.54 178.53 3gep s ASP 112 N -6.65 6.48 -0.08 0.19 -0.00 -0.92 -4.73 116.67 110.95 3gep s ASP 112 Ca -0.03 0.59 -0.09 0.00 -0.00 0.00 0.00 52.55 53.02 3gep s ASP 112 Cb 0.14 -2.55 -0.05 0.00 -0.00 0.00 0.00 42.92 40.47 3gep s ASP 112 CO 0.66 -1.36 0.23 0.27 -0.00 0.00 0.00 175.17 174.97 3gep s ILE 113 N 4.95 5.36 -0.38 0.77 -4.36 -1.26 -5.06 121.20 121.22 3gep s ILE 113 Ca 0.54 0.41 0.03 0.00 -0.26 0.00 0.00 60.65 61.37 3gep s ILE 113 Cb -0.10 -3.50 0.11 0.00 1.25 0.00 0.00 42.46 40.22 3gep s ILE 113 CO 0.32 0.60 0.10 -0.54 0.24 0.00 0.00 174.94 175.67 3gep s LYS 114 N -1.03 1.63 0.08 0.37 1.02 -1.26 -5.05 119.74 115.49 3gep s LYS 114 Ca 0.18 -1.97 -0.30 0.00 0.02 0.00 0.00 55.97 53.90 3gep s LYS 114 Cb -0.13 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 3gep s LYS 114 CO 0.07 -0.98 0.97 0.08 -0.92 0.00 0.00 175.35 174.56 3gep s VAL 115 N 0.78 4.61 -0.14 3.17 1.01 -1.26 -0.26 120.40 128.30 3gep s VAL 115 Ca 0.11 2.07 -0.12 0.00 0.00 0.00 0.00 61.98 64.04 3gep s VAL 115 Cb -0.20 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3gep s VAL 115 CO -0.07 0.27 -0.24 -0.38 0.00 0.00 0.00 175.10 174.69 3gep n ILE 116 N 3.12 1.31 -2.69 2.22 5.41 0.02 -4.79 119.36 123.97 3gep n ILE 116 Ca 0.03 0.21 -0.42 0.00 1.00 0.00 0.00 62.75 63.58 3gep n ILE 116 Cb 0.50 -2.28 -0.03 0.00 -0.71 0.00 0.00 39.64 37.11 3gep n ILE 116 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3gep s GLY 117 N -4.40 1.39 -0.34 7.39 0.00 -1.26 -4.83 107.32 105.27 3gep s GLY 117 Ca -0.20 -2.21 0.07 0.00 0.00 0.00 0.00 44.72 42.38 3gep s GLY 117 CO 0.29 2.44 1.40 0.61 0.00 0.00 0.00 173.10 177.84 3gep n GLY 118 N 6.12 5.77 3.79 0.20 0.00 -1.26 -4.50 105.19 115.30 3gep n GLY 118 Ca 0.22 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 3gep n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gep s ASP 119 N -2.99 6.99 -1.44 1.61 1.11 -1.26 -4.15 116.67 116.53 3gep s ASP 119 Ca 0.50 1.17 -0.11 0.00 0.18 0.00 0.00 52.55 54.29 3gep s ASP 119 Cb 0.42 -2.35 0.01 0.00 1.07 0.00 0.00 42.92 42.08 3gep s ASP 119 CO 0.01 0.21 0.24 0.47 1.18 0.00 0.00 175.17 177.28 3gep n ASP 120 N 2.17 -0.72 0.28 0.27 8.00 -1.26 -4.82 116.55 120.47 3gep n ASP 120 Ca -0.09 -1.27 0.19 0.00 0.71 0.00 0.00 54.79 54.33 3gep n ASP 120 Cb 0.51 -1.74 0.94 0.00 -0.02 0.00 0.00 41.12 40.81 3gep n ASP 120 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3gep h LEU 121 N -2.05 0.00 0.00 0.64 4.07 -1.97 -1.81 115.31 114.18 3gep h LEU 121 Ca -0.68 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.28 3gep h LEU 121 Cb 1.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.14 3gep h LEU 121 CO 0.64 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.46 3gep n SER 122 N -2.88 0.00 0.16 -0.43 3.41 -1.26 -2.35 113.62 110.27 3gep n SER 122 Ca -0.01 -0.99 0.13 0.00 -0.26 0.00 0.00 58.87 57.74 3gep n SER 122 Cb 0.13 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.47 3gep n SER 122 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3gep h THR 123 N 0.00 0.00 0.00 6.66 1.35 -1.69 -3.08 112.91 116.15 3gep h THR 123 Ca 0.00 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 3gep h THR 123 Cb 0.00 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3gep h THR 123 CO 0.00 0.00 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.13 3gep h LEU 124 N 0.00 0.00 -9.55 3.87 4.07 -1.70 -3.44 115.31 108.55 3gep h LEU 124 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 3gep h LEU 124 Cb 0.73 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.51 3gep h LEU 124 CO 0.00 0.07 0.98 -0.89 -1.08 0.00 0.00 178.44 177.52 3gep s THR 125 N -3.29 2.60 -0.63 0.22 2.01 -1.17 -2.04 115.64 113.34 3gep s THR 125 Ca 0.05 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.35 3gep s THR 125 Cb 0.06 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.38 3gep s THR 125 CO 0.65 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 3gep n GLY 126 N 3.96 0.76 3.55 4.40 0.00 -0.10 -4.89 105.19 112.87 3gep n GLY 126 Ca 0.16 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 3gep n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gep s LYS 127 N -2.07 1.97 -0.52 1.61 -0.14 -0.87 -4.31 119.74 115.42 3gep s LYS 127 Ca 0.00 -1.29 -0.27 0.00 -1.36 0.00 0.00 55.97 53.06 3gep s LYS 127 Cb 0.00 -2.12 0.03 0.00 -1.68 0.00 0.00 37.83 34.06 3gep s LYS 127 CO 0.00 0.44 1.05 -0.80 -0.76 0.00 0.00 175.35 175.27 3gep s ASN 128 N -2.74 6.48 -0.18 2.83 0.02 -1.26 -1.15 114.94 118.94 3gep s ASN 128 Ca 0.24 0.09 -0.06 0.00 -1.02 0.00 0.00 52.86 52.11 3gep s ASN 128 Cb -0.09 -2.50 -0.03 0.00 0.02 0.00 0.00 41.25 38.65 3gep s ASN 128 CO 0.14 -1.25 0.02 -0.69 0.02 0.00 0.00 177.10 175.35 3gep s VAL 129 N 4.27 4.38 -0.34 1.60 1.01 0.11 0.79 120.40 132.22 3gep s VAL 129 Ca 0.40 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 3gep s VAL 129 Cb -0.09 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 33.38 3gep s VAL 129 CO 0.26 0.46 0.09 -0.22 0.00 0.00 0.00 175.10 175.69 3gep s LEU 130 N 0.50 4.29 -0.14 3.92 2.96 0.64 -1.21 118.68 129.64 3gep s LEU 130 Ca 0.01 -1.24 -0.20 0.00 -0.22 0.00 0.00 54.13 52.47 3gep s LEU 130 Cb -0.13 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3gep s LEU 130 CO 0.02 -0.33 0.58 -0.63 -1.32 0.00 0.00 176.35 174.67 3gep s ILE 131 N 1.35 5.09 -0.18 6.68 1.01 0.36 -0.07 121.20 135.44 3gep s ILE 131 Ca -0.02 1.14 -0.01 0.00 0.00 0.00 0.00 60.65 61.77 3gep s ILE 131 Cb -0.20 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3gep s ILE 131 CO 0.01 0.22 -0.13 -0.69 0.00 0.00 0.00 174.94 174.36 3gep s VAL 132 N 1.20 2.77 0.13 2.92 1.01 0.23 -0.53 120.40 128.14 3gep s VAL 132 Ca 0.29 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.67 3gep s VAL 132 Cb -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3gep s VAL 132 CO 0.12 0.49 -0.26 -0.70 0.00 0.00 0.00 175.10 174.76 3gep s GLU 133 N 1.12 1.37 -0.13 2.72 2.56 0.25 -1.58 118.70 125.01 3gep s GLU 133 Ca 0.01 -1.35 -0.05 0.00 0.00 0.00 0.00 54.97 53.58 3gep s GLU 133 Cb -0.14 -1.82 -0.25 0.00 2.00 0.00 0.00 34.13 33.92 3gep s GLU 133 CO -0.04 0.42 0.32 -0.40 -0.56 0.00 0.00 175.26 175.00 3gep n ASP 134 N 0.85 2.05 -3.81 -1.70 5.68 -1.26 -2.10 116.55 116.25 3gep n ASP 134 Ca -0.17 0.18 -0.13 0.00 -0.50 0.00 0.00 54.79 54.17 3gep n ASP 134 Cb 0.53 -0.78 -0.14 0.00 -1.14 0.00 0.00 41.12 39.60 3gep n ASP 134 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 3gep s ILE 135 N -2.56 -0.02 -0.13 2.12 2.07 -1.26 -1.56 121.20 119.86 3gep s ILE 135 Ca -0.23 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 3gep s ILE 135 Cb 0.07 -0.14 -0.01 0.00 0.13 0.00 0.00 42.46 42.51 3gep s ILE 135 CO 0.76 0.03 -0.15 -0.63 -1.91 0.00 0.00 174.94 173.03 3gep s ILE 136 N 0.46 2.78 0.00 2.00 1.01 -0.08 -4.98 121.20 122.39 3gep s ILE 136 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3gep s ILE 136 Cb -0.05 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.26 3gep s ILE 136 CO -0.02 0.53 0.00 -0.67 0.00 0.00 0.00 174.94 174.78 3gep n ASP 137 N 3.71 0.00 0.17 3.58 2.03 -1.26 -1.06 116.55 123.72 3gep n ASP 137 Ca -0.19 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.16 3gep n ASP 137 Cb 0.52 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 41.19 3gep n ASP 137 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3gep h THR 138 N 0.00 1.05 0.00 5.18 1.35 -1.92 -3.40 112.91 115.17 3gep h THR 138 Ca 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3gep h THR 138 Cb 0.00 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3gep h THR 138 CO 0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3gep n GLY 139 N 0.33 0.84 0.21 5.82 0.00 -1.26 -0.67 105.19 110.46 3gep n GLY 139 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3gep n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gep h LYS 140 N 3.15 0.67 -0.26 1.61 1.57 -1.91 -2.52 116.57 118.88 3gep h LYS 140 Ca 0.00 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3gep h LYS 140 Cb 0.00 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.16 3gep h LYS 140 CO 0.00 0.68 -0.14 1.15 -0.57 0.00 0.00 179.45 180.58 3gep h THR 141 N 0.53 0.59 -0.41 -0.16 2.02 -1.85 -2.37 112.91 111.26 3gep h THR 141 Ca 0.13 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.25 3gep h THR 141 Cb 0.32 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3gep h THR 141 CO 0.00 0.00 0.00 -0.03 0.37 0.00 0.00 175.52 175.87 3gep h MET 142 N -0.11 0.73 -0.44 6.66 1.85 -1.88 -0.70 114.93 121.03 3gep h MET 142 Ca 0.14 -0.23 -0.04 0.00 -0.61 0.00 0.00 59.70 58.96 3gep h MET 142 Cb 0.31 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.26 3gep h MET 142 CO -0.33 0.81 0.12 -0.56 -0.40 0.00 0.00 176.91 176.55 3gep h GLN 143 N 0.56 0.65 0.06 0.39 3.07 -1.34 0.16 115.11 118.66 3gep h GLN 143 Ca 0.12 -0.11 -0.26 0.00 0.09 0.00 0.00 58.65 58.48 3gep h GLN 143 Cb 0.48 -0.11 0.01 0.00 0.08 0.00 0.00 27.48 27.94 3gep h GLN 143 CO 0.02 0.59 -1.10 1.79 0.09 0.00 0.00 178.83 180.22 3gep h THR 144 N 0.64 1.38 -0.87 1.86 1.35 -1.29 -2.54 112.91 113.45 3gep h THR 144 Ca 0.15 -2.58 -0.00 0.00 -0.55 0.00 0.00 66.41 63.42 3gep h THR 144 Cb 0.23 2.61 -0.04 0.00 -1.73 0.00 0.00 68.15 69.22 3gep h THR 144 CO -0.00 0.77 0.53 0.25 -0.25 0.00 0.00 175.52 176.82 3gep h LEU 145 N 0.22 1.04 -1.23 3.87 7.12 -0.83 -1.97 115.31 123.52 3gep h LEU 145 Ca -0.13 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 3gep h LEU 145 Cb 1.77 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 41.61 3gep h LEU 145 CO 0.20 0.79 0.27 -0.07 -0.13 0.00 0.00 178.44 179.50 3gep h LEU 146 N 1.19 0.73 -0.63 2.25 4.07 -0.70 -1.78 115.31 120.45 3gep h LEU 146 Ca 0.31 -0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.24 3gep h LEU 146 Cb -0.06 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 41.45 3gep h LEU 146 CO -0.06 0.62 0.37 0.28 -1.08 0.00 0.00 178.44 178.57 3gep h SER 147 N 0.81 0.59 0.10 -0.43 0.02 -0.93 -1.94 113.55 111.77 3gep h SER 147 Ca 0.20 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3gep h SER 147 Cb 0.09 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3gep h SER 147 CO -0.03 0.40 -0.05 0.25 -1.14 0.00 0.00 176.83 176.26 3gep h LEU 148 N 0.72 -0.12 -0.68 5.07 6.46 -1.05 -3.16 115.31 122.54 3gep h LEU 148 Ca 0.26 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3gep h LEU 148 Cb 0.08 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 3gep h LEU 148 CO -0.13 0.14 0.36 0.58 -0.62 0.00 0.00 178.44 178.77 3gep h VAL 149 N -0.38 1.22 0.00 1.05 2.07 -1.29 -2.81 116.25 116.12 3gep h VAL 149 Ca -0.01 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 3gep h VAL 149 Cb 0.31 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3gep h VAL 149 CO 0.02 0.25 -0.19 0.03 0.02 0.00 0.00 177.57 177.70 3gep h ARG 150 N 0.94 0.00 0.00 1.57 3.08 -1.43 -2.26 114.38 116.29 3gep h ARG 150 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3gep h ARG 150 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gep h ARG 150 CO -0.04 0.19 0.00 1.96 -1.07 0.00 0.00 179.97 181.02 3gep h GLN 151 N 0.00 0.00 -0.37 0.04 4.20 -1.46 -1.75 115.11 115.76 3gep h GLN 151 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gep h GLN 151 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3gep h GLN 151 CO 0.02 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.84 3gep n TYR 152 N -3.00 0.49 -3.40 2.96 4.02 -0.85 -4.99 117.16 112.39 3gep n TYR 152 Ca -0.00 -0.25 -0.12 0.00 -0.01 0.00 0.00 57.90 57.52 3gep n TYR 152 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 3gep n TYR 152 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3gep n ASN 153 N 0.73 -6.45 -4.82 7.72 5.03 -0.66 -3.60 115.26 113.21 3gep n ASN 153 Ca 0.15 -0.50 -0.31 0.00 0.87 0.00 0.00 54.58 54.79 3gep n ASN 153 Cb 0.38 -3.74 0.05 0.00 -1.02 0.00 0.00 39.78 35.45 3gep n ASN 153 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 3gep s PRO 154 N -4.00 2.93 0.13 3.52 0.02 -1.26 -0.92 135.00 135.43 3gep s PRO 154 Ca 0.04 0.93 -0.12 0.00 0.02 0.00 0.00 61.00 61.86 3gep s PRO 154 Cb -0.01 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 3gep s PRO 154 CO 0.82 -1.09 1.51 -0.22 -0.33 0.00 0.00 177.00 177.68 3gep h LYS 155 N -0.71 0.86 -2.92 5.54 3.64 -1.32 -3.43 116.57 118.23 3gep h LYS 155 Ca -0.44 -0.38 -0.13 0.00 -1.27 0.00 0.00 60.65 58.43 3gep h LYS 155 Cb 1.21 -0.02 -0.23 0.00 -0.41 0.00 0.00 32.23 32.78 3gep h LYS 155 CO 0.57 1.03 -0.29 1.41 -2.27 0.00 0.00 179.45 179.90 3gep s MET 156 N -4.61 0.49 -0.12 1.90 0.00 -1.12 -4.97 119.30 110.88 3gep s MET 156 Ca -0.12 0.29 -0.00 0.00 0.00 0.00 0.00 55.69 55.86 3gep s MET 156 Cb 0.11 0.23 0.02 0.00 0.00 0.00 0.00 34.83 35.19 3gep s MET 156 CO 0.85 -0.09 -0.10 0.08 0.00 0.00 0.00 175.02 175.76 3gep s VAL 157 N -0.27 1.19 0.15 10.11 1.01 -1.26 0.06 120.40 131.40 3gep s VAL 157 Ca -0.04 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.64 3gep s VAL 157 Cb -0.03 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3gep s VAL 157 CO 0.02 0.39 -0.23 -0.54 0.00 0.00 0.00 175.10 174.75 3gep s LYS 158 N 1.57 1.32 -0.13 2.72 1.02 -0.35 -5.01 119.74 120.90 3gep s LYS 158 Ca 0.04 -1.35 0.03 0.00 0.02 0.00 0.00 55.97 54.70 3gep s LYS 158 Cb -0.13 -1.61 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 3gep s LYS 158 CO -0.08 0.36 -0.21 0.08 -0.92 0.00 0.00 175.35 174.58 3gep s VAL 159 N -1.46 1.94 -0.15 3.17 1.01 -1.26 -0.49 120.40 123.16 3gep s VAL 159 Ca 0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3gep s VAL 159 Cb -0.09 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3gep s VAL 159 CO 0.07 0.53 -0.07 0.00 0.00 0.00 0.00 175.10 175.63 3gep s ALA 160 N 0.75 2.87 -0.06 5.51 0.00 0.31 -1.55 121.76 129.59 3gep s ALA 160 Ca -0.09 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3gep s ALA 160 Cb -0.16 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.53 3gep s ALA 160 CO 0.00 0.22 -0.12 0.45 0.00 0.00 0.00 175.76 176.31 3gep s SER 161 N 0.37 1.73 0.12 0.00 0.15 -0.19 -0.58 113.70 115.30 3gep s SER 161 Ca -0.06 -0.29 -0.22 0.00 0.70 0.00 0.00 55.95 56.08 3gep s SER 161 Cb -0.15 -0.80 -0.06 0.00 -1.71 0.00 0.00 66.02 63.30 3gep s SER 161 CO 0.04 0.03 1.70 0.25 1.20 0.00 0.00 173.24 176.46 3gep h LEU 162 N 6.96 -0.23 -8.44 3.45 6.46 -1.43 -2.06 115.31 120.02 3gep h LEU 162 Ca -0.31 0.05 -0.66 0.00 -0.12 0.00 0.00 57.88 56.84 3gep h LEU 162 Cb 1.19 0.12 -0.31 0.00 -0.73 0.00 0.00 40.66 40.93 3gep h LEU 162 CO 0.47 -0.10 -0.87 -0.76 -0.62 0.00 0.00 178.44 176.56 3gep s LEU 163 N -10.35 2.03 -0.12 2.25 1.43 -0.60 -0.18 118.68 113.15 3gep s LEU 163 Ca -0.14 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 3gep s LEU 163 Cb 0.09 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 45.05 3gep s LEU 163 CO 0.67 0.23 -0.20 -0.69 0.23 0.00 0.00 176.35 176.60 3gep s VAL 164 N -0.19 1.87 -0.07 -1.59 1.01 -0.01 -0.91 120.40 120.52 3gep s VAL 164 Ca -0.02 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 3gep s VAL 164 Cb -0.13 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3gep s VAL 164 CO 0.03 0.51 0.67 -0.75 0.00 0.00 0.00 175.10 175.56 3gep s LYS 165 N 0.74 4.42 -1.26 2.72 2.20 -0.22 -1.09 119.74 127.25 3gep s LYS 165 Ca -0.10 0.83 -0.18 0.00 -0.36 0.00 0.00 55.97 56.16 3gep s LYS 165 Cb -0.16 -3.44 0.08 0.00 -1.51 0.00 0.00 37.83 32.80 3gep s LYS 165 CO 0.01 0.09 1.67 0.50 -0.36 0.00 0.00 175.35 177.26 3gep s ARG 166 N 0.74 3.96 -0.04 4.03 3.52 -0.44 -4.85 118.95 125.87 3gep s ARG 166 Ca 0.36 -1.99 0.06 0.00 -0.13 0.00 0.00 55.73 54.03 3gep s ARG 166 Cb -0.17 -5.46 -0.02 0.00 -1.56 0.00 0.00 34.95 27.73 3gep s ARG 166 CO 0.17 -2.19 -0.21 0.99 -0.81 0.00 0.00 175.30 173.25 3gep s THR 167 N 3.97 2.47 0.63 4.11 2.01 -1.26 -3.93 115.64 123.64 3gep s THR 167 Ca 0.52 -0.94 0.34 0.00 0.31 0.00 0.00 61.69 61.91 3gep s THR 167 Cb 0.03 -1.92 0.37 0.00 0.01 0.00 0.00 72.50 71.00 3gep s THR 167 CO 0.05 0.58 2.16 -0.65 -0.69 0.00 0.00 174.62 176.08 3gep h PRO 168 N 5.57 0.00 0.00 4.92 0.11 -1.97 -2.24 132.00 138.39 3gep h PRO 168 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gep h PRO 168 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gep h PRO 168 CO 0.49 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.82 3gep n ARG 169 N -3.45 0.26 -2.08 1.05 1.74 -1.26 -4.82 116.66 108.10 3gep n ARG 169 Ca -0.01 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 3gep n ARG 169 Cb 0.24 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 3gep n ARG 169 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3gep s SER 170 N -2.65 6.74 0.00 0.55 0.15 -0.84 -4.58 113.70 113.06 3gep s SER 170 Ca 0.19 2.49 0.31 0.00 0.70 0.00 0.00 55.95 59.64 3gep s SER 170 Cb 0.15 -2.60 1.72 0.00 -1.71 0.00 0.00 66.02 63.58 3gep s SER 170 CO 0.35 -0.69 2.14 1.33 1.20 0.00 0.00 173.24 177.58 3gep n VAL 171 N 3.39 0.00 0.00 4.45 0.24 0.16 -4.90 118.33 121.67 3gep n VAL 171 Ca 0.10 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 3gep n VAL 171 Cb 0.41 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 3gep n VAL 171 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gep n GLY 172 N 1.13 0.61 3.68 7.63 0.00 -1.26 -5.06 105.19 111.92 3gep n GLY 172 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3gep n GLY 172 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gep s TYR 173 N -2.00 2.55 -0.17 1.61 5.04 -1.26 -5.01 117.35 118.11 3gep s TYR 173 Ca 0.00 0.55 -0.00 0.00 -2.44 0.00 0.00 57.07 55.18 3gep s TYR 173 Cb 0.00 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.51 3gep s TYR 173 CO 0.00 -3.12 -0.15 0.15 -1.34 0.00 0.00 175.55 171.09 3gep s LYS 174 N 2.85 3.19 0.71 4.97 1.02 -1.26 -4.94 119.74 126.28 3gep s LYS 174 Ca 0.68 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.78 3gep s LYS 174 Cb -0.34 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.34 3gep s LYS 174 CO 0.28 -0.05 1.15 -2.14 -0.92 0.00 0.00 175.35 173.67 3gep s PRO 175 N 0.99 2.36 0.25 -1.68 0.02 -1.26 -4.95 135.00 130.72 3gep s PRO 175 Ca -0.02 1.53 -0.01 0.00 0.02 0.00 0.00 61.00 62.51 3gep s PRO 175 Cb -0.15 -1.88 0.29 0.00 0.02 0.00 0.00 34.50 32.78 3gep s PRO 175 CO -0.03 -1.61 1.68 -0.44 -0.33 0.00 0.00 177.00 176.27 3gep h ASP 176 N -0.33 0.66 -3.40 2.53 3.32 -1.68 -3.42 116.42 114.10 3gep h ASP 176 Ca -0.47 -0.22 -0.56 0.00 0.02 0.00 0.00 57.03 55.80 3gep h ASP 176 Cb 1.27 -0.18 -0.33 0.00 0.22 0.00 0.00 39.33 40.30 3gep h ASP 176 CO 0.51 0.87 -0.83 -0.36 -1.72 0.00 0.00 179.24 177.70 3gep s PHE 177 N -4.60 1.78 -0.06 4.55 0.08 -0.59 -5.02 117.98 114.12 3gep s PHE 177 Ca -0.08 -0.69 0.01 0.00 0.12 0.00 0.00 56.93 56.29 3gep s PHE 177 Cb 0.13 -1.26 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 3gep s PHE 177 CO 0.81 -0.32 -0.07 0.08 -0.10 0.00 0.00 175.22 175.63 3gep s VAL 178 N 0.57 0.78 -0.01 -0.44 1.01 -1.26 -1.02 120.40 120.04 3gep s VAL 178 Ca -0.16 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 3gep s VAL 178 Cb -0.16 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 3gep s VAL 178 CO 0.05 0.29 0.72 1.23 0.00 0.00 0.00 175.10 177.39 3gep h GLY 179 N 7.38 -0.42 -5.68 4.51 0.00 -0.80 -3.37 103.07 104.69 3gep h GLY 179 Ca -0.33 0.15 -0.29 0.00 0.00 0.00 0.00 47.33 46.87 3gep h GLY 179 CO 0.44 -0.15 -0.74 -1.36 0.00 0.00 0.00 176.54 174.73 3gep s PHE 180 N -3.10 0.25 -0.28 5.60 0.40 0.75 -1.34 117.98 120.25 3gep s PHE 180 Ca -0.06 -0.03 -0.11 0.00 -0.60 0.00 0.00 56.93 56.13 3gep s PHE 180 Cb 0.01 -0.21 -0.05 0.00 0.51 0.00 0.00 43.02 43.28 3gep s PHE 180 CO 0.17 -0.03 0.18 -2.00 0.70 0.00 0.00 175.22 174.24 3gep s GLU 181 N 0.19 3.89 0.27 0.44 2.12 -0.11 -0.83 118.70 124.67 3gep s GLU 181 Ca -0.02 -0.36 0.11 0.00 0.36 0.00 0.00 54.97 55.07 3gep s GLU 181 Cb -0.04 -3.63 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 3gep s GLU 181 CO -0.01 -0.20 -0.12 0.96 -0.54 0.00 0.00 175.26 175.36 3gep s ILE 182 N 1.74 2.90 0.97 -3.70 -4.36 -0.25 -0.81 121.20 117.68 3gep s ILE 182 Ca 0.07 -2.17 -0.11 0.00 -0.26 0.00 0.00 60.65 58.18 3gep s ILE 182 Cb -0.16 -2.53 0.18 0.00 1.25 0.00 0.00 42.46 41.20 3gep s ILE 182 CO 0.10 -0.37 1.13 -2.84 0.24 0.00 0.00 174.94 173.19 3gep s PRO 183 N -3.53 0.59 -1.35 0.37 0.02 -1.25 -1.33 135.00 128.51 3gep s PRO 183 Ca 0.30 1.44 -0.16 0.00 0.02 0.00 0.00 61.00 62.60 3gep s PRO 183 Cb -0.06 -1.69 0.02 0.00 0.02 0.00 0.00 34.50 32.80 3gep s PRO 183 CO 0.17 -2.89 2.10 -3.47 -0.33 0.00 0.00 177.00 172.58 3gep n ASP 184 N -4.40 3.91 -4.15 2.53 2.03 -1.25 -4.53 116.55 110.69 3gep n ASP 184 Ca 0.10 -2.83 -0.14 0.00 0.52 0.00 0.00 54.79 52.44 3gep n ASP 184 Cb 0.52 -1.62 -0.11 0.00 -0.72 0.00 0.00 41.12 39.19 3gep n ASP 184 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3gep s LYS 185 N 3.65 0.76 -0.39 -0.67 1.02 -1.26 -5.08 119.74 117.77 3gep s LYS 185 Ca 0.50 -1.08 -0.26 0.00 0.02 0.00 0.00 55.97 55.15 3gep s LYS 185 Cb 0.12 -0.43 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 3gep s LYS 185 CO -0.03 0.06 0.95 0.12 -0.92 0.00 0.00 175.35 175.53 3gep s PHE 186 N -2.32 3.03 0.08 3.18 5.36 -1.26 -5.01 117.98 121.04 3gep s PHE 186 Ca 0.02 0.70 0.03 0.00 -0.96 0.00 0.00 56.93 56.73 3gep s PHE 186 Cb -0.04 -3.77 -0.04 0.00 -0.34 0.00 0.00 43.02 38.83 3gep s PHE 186 CO -0.01 -0.91 0.07 0.14 -1.46 0.00 0.00 175.22 173.05 3gep s VAL 187 N 3.61 4.44 0.22 3.12 -7.23 -1.26 -1.85 120.40 121.45 3gep s VAL 187 Ca 0.39 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 3gep s VAL 187 Cb -0.11 -3.14 -0.05 0.00 0.56 0.00 0.00 36.38 33.64 3gep s VAL 187 CO 0.21 0.12 0.08 0.68 -0.31 0.00 0.00 175.10 175.88 3gep s VAL 188 N -1.39 0.42 0.00 1.32 -7.23 0.77 -4.89 120.40 109.41 3gep s VAL 188 Ca 0.29 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 3gep s VAL 188 Cb -0.12 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.37 3gep s VAL 188 CO 0.21 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 3gep n GLY 189 N -0.34 1.78 5.06 2.32 0.00 0.84 -0.53 105.19 114.32 3gep n GLY 189 Ca -0.01 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.01 3gep n GLY 189 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gep n TYR 190 N 1.47 0.00 0.08 1.61 9.36 0.36 -1.29 117.16 128.75 3gep n TYR 190 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 3gep n TYR 190 Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 3gep n TYR 190 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3gep n ALA 191 N 0.69 2.23 -2.79 2.98 0.00 -1.26 -4.89 120.51 117.47 3gep n ALA 191 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 3gep n ALA 191 Cb 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 3gep n ALA 191 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gep s LEU 192 N -2.21 3.99 0.20 0.00 1.43 -0.41 -4.58 118.68 117.10 3gep s LEU 192 Ca 0.01 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3gep s LEU 192 Cb 0.01 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3gep s LEU 192 CO 0.08 -0.12 0.38 1.51 0.23 0.00 0.00 176.35 178.43 3gep s ASP 193 N 1.67 6.37 -0.32 2.29 -4.77 -1.26 -0.11 116.67 120.54 3gep s ASP 193 Ca 0.06 0.36 0.01 0.00 -3.30 0.00 0.00 52.55 49.68 3gep s ASP 193 Cb -0.16 -1.99 0.08 0.00 -1.09 0.00 0.00 42.92 39.75 3gep s ASP 193 CO 0.07 -0.05 0.01 -0.47 0.70 0.00 0.00 175.17 175.44 3gep s TYR 194 N -1.88 3.47 -1.59 2.11 5.04 -0.48 -4.75 117.35 119.28 3gep s TYR 194 Ca 0.38 -2.45 -0.11 0.00 -2.44 0.00 0.00 57.07 52.45 3gep s TYR 194 Cb -0.11 -2.48 0.09 0.00 0.35 0.00 0.00 41.96 39.81 3gep s TYR 194 CO 0.29 -0.90 0.63 0.09 -1.34 0.00 0.00 175.55 174.32 3gep n ASN 195 N 4.44 -2.12 0.00 4.32 3.02 -1.26 -0.93 115.26 122.73 3gep n ASN 195 Ca -0.06 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3gep n ASN 195 Cb 0.42 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.73 3gep n ASN 195 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3gep n GLU 196 N -4.41 0.00 -2.93 3.52 0.00 -1.26 -5.00 120.64 110.56 3gep n GLU 196 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.85 3gep n GLU 196 Cb 0.57 -2.23 0.02 0.00 0.00 0.00 0.00 31.44 29.79 3gep n GLU 196 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3gep s TYR 197 N -3.76 3.16 0.00 -1.84 1.51 -0.10 -4.40 117.35 111.92 3gep s TYR 197 Ca 0.00 0.19 0.00 0.00 -1.01 0.00 0.00 57.07 56.25 3gep s TYR 197 Cb 0.00 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 3gep s TYR 197 CO 0.00 -0.44 0.00 1.19 -1.11 0.00 0.00 175.55 175.19 3gep n PHE 198 N -2.12 0.00 -0.16 2.71 3.72 -1.26 -1.39 117.46 118.96 3gep n PHE 198 Ca 0.02 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.59 3gep n PHE 198 Cb 0.58 -0.41 0.52 0.00 -0.94 0.00 0.00 39.48 39.23 3gep n PHE 198 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3gep h ARG 199 N 1.78 0.37 -0.01 -1.08 9.65 -1.84 -1.08 114.38 122.16 3gep h ARG 199 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3gep h ARG 199 Cb 0.08 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3gep h ARG 199 CO 0.00 0.24 -0.27 -0.40 2.80 0.00 0.00 179.97 182.34 3gep n ASP 200 N -4.47 0.92 -4.67 -3.80 5.75 -1.26 -4.83 116.55 104.19 3gep n ASP 200 Ca 0.15 -0.79 -0.42 0.00 -0.01 0.00 0.00 54.79 53.71 3gep n ASP 200 Cb 0.56 0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.74 3gep n ASP 200 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3gep s LEU 201 N -2.55 4.19 0.28 -2.12 2.96 -0.41 -4.93 118.68 116.09 3gep s LEU 201 Ca 0.23 1.31 0.15 0.00 -0.22 0.00 0.00 54.13 55.60 3gep s LEU 201 Cb 0.19 -3.37 0.12 0.00 0.50 0.00 0.00 46.19 43.63 3gep s LEU 201 CO 0.53 -0.45 1.47 0.78 -1.32 0.00 0.00 176.35 177.36 3gep h ASN 202 N 7.27 0.00 -3.28 3.68 4.21 -1.88 0.10 115.58 125.68 3gep h ASN 202 Ca -0.28 0.00 -0.65 0.00 1.21 0.00 0.00 56.30 56.57 3gep h ASN 202 Cb 1.13 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 38.21 3gep h ASN 202 CO 0.86 0.52 -0.63 -1.00 -1.29 0.00 0.00 177.43 175.89 3gep s HIS 203 N -3.01 3.10 -0.24 1.19 3.76 -1.26 -3.87 115.29 114.96 3gep s HIS 203 Ca 0.03 0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 54.71 3gep s HIS 203 Cb 0.08 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 32.15 3gep s HIS 203 CO 0.74 0.49 1.29 0.08 -0.85 0.00 0.00 174.74 176.50 3gep s VAL 204 N -1.26 4.20 0.13 -0.90 1.01 -0.39 -3.38 120.40 119.81 3gep s VAL 204 Ca 0.25 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.65 3gep s VAL 204 Cb -0.12 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3gep s VAL 204 CO 0.17 -0.32 -0.07 0.00 0.00 0.00 0.00 175.10 174.88 3gep s VAL 206 N -3.49 5.03 0.33 0.00 1.01 -0.26 -0.16 120.40 122.86 3gep s VAL 206 Ca 0.16 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 3gep s VAL 206 Cb 0.04 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 3gep s VAL 206 CO -0.01 0.16 1.35 -0.51 0.00 0.00 0.00 175.10 176.09 3gep s ILE 207 N 1.49 2.61 0.74 2.22 2.07 -0.77 -0.13 121.20 129.43 3gep s ILE 207 Ca 0.32 0.60 -0.05 0.00 -1.41 0.00 0.00 60.65 60.11 3gep s ILE 207 Cb -0.16 -3.38 0.11 0.00 0.13 0.00 0.00 42.46 39.15 3gep s ILE 207 CO 0.13 0.14 1.04 -0.94 -1.91 0.00 0.00 174.94 173.39 3gep s SER 208 N -0.34 4.37 0.19 4.50 1.04 -0.49 -4.53 113.70 118.43 3gep s SER 208 Ca 0.51 0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.97 3gep s SER 208 Cb -0.41 -0.52 0.10 0.00 0.10 0.00 0.00 66.02 65.29 3gep s SER 208 CO 0.54 -1.86 1.49 -0.33 0.98 0.00 0.00 173.24 174.05 3gep h GLU 209 N -0.69 0.52 -0.05 4.02 4.39 -1.90 0.17 114.58 121.04 3gep h GLU 209 Ca -0.41 -0.35 -0.12 0.00 0.34 0.00 0.00 59.36 58.82 3gep h GLU 209 Cb 1.28 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 3gep h GLU 209 CO 0.48 0.96 -0.50 1.79 -1.16 0.00 0.00 179.01 180.58 3gep h THR 210 N 0.39 1.35 -0.28 1.13 1.35 -1.92 -0.58 112.91 114.35 3gep h THR 210 Ca -0.00 -1.73 -0.05 0.00 -0.55 0.00 0.00 66.41 64.08 3gep h THR 210 Cb 1.14 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.42 3gep h THR 210 CO 0.11 0.50 -0.04 1.23 -0.25 0.00 0.00 175.52 177.08 3gep h GLY 211 N 1.41 0.57 0.76 5.82 0.00 -1.71 -0.17 103.07 109.75 3gep h GLY 211 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 46.94 3gep h GLY 211 CO 0.07 0.41 0.56 1.70 0.00 0.00 0.00 176.54 179.28 3gep h LYS 212 N 0.29 1.01 0.11 4.80 3.64 -0.78 -1.83 116.57 123.83 3gep h LYS 212 Ca 0.08 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.12 3gep h LYS 212 Cb 0.49 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3gep h LYS 212 CO 0.02 0.67 -1.20 0.00 -2.27 0.00 0.00 179.45 176.67 3gep h ALA 213 N 1.40 0.11 -0.28 5.00 0.00 -1.08 -3.03 119.26 121.38 3gep h ALA 213 Ca 0.38 -0.82 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 3gep h ALA 213 Cb 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3gep h ALA 213 CO -0.16 0.84 -0.38 -0.22 0.00 0.00 0.00 179.25 179.33 3gep h LYS 214 N 0.16 0.66 -0.41 0.00 3.64 -0.85 -3.31 116.57 116.46 3gep h LYS 214 Ca -0.15 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3gep h LYS 214 Cb 1.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 3gep h LYS 214 CO 0.21 0.93 0.00 0.66 -2.27 0.00 0.00 179.45 178.98 3gep n TYR 215 N -4.04 0.58 -1.48 1.91 4.01 -0.70 -5.02 117.16 112.40 3gep n TYR 215 Ca -0.02 -0.51 -0.34 0.00 -0.16 0.00 0.00 57.90 56.87 3gep n TYR 215 Cb 0.51 -0.04 0.09 0.00 -0.31 0.00 0.00 39.34 39.59 3gep n TYR 215 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3gep s LYS 216 N -1.08 2.24 0.00 -0.72 0.00 -1.14 -4.60 119.74 114.44 3gep s LYS 216 Ca 0.28 1.70 0.23 0.00 0.00 0.00 0.00 55.97 58.18 3gep s LYS 216 Cb 0.15 -1.85 1.38 0.00 0.00 0.00 0.00 37.83 37.51 3gep s LYS 216 CO 0.18 -1.74 1.75 0.00 0.00 0.00 0.00 175.35 175.54