#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi2 n GLY 2 N 0.00 1.22 3.82 2.92 0.00 0.13 -5.03 105.19 108.25 3gi2 n GLY 2 Ca 0.00 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 3gi2 n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gi2 s SER 3 N -1.00 5.46 -0.13 1.61 1.04 -1.26 -4.70 113.70 114.72 3gi2 s SER 3 Ca 0.00 1.66 -0.03 0.00 0.48 0.00 0.00 55.95 58.06 3gi2 s SER 3 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 3gi2 s SER 3 CO 0.00 -1.39 -0.02 -0.22 0.98 0.00 0.00 173.24 172.59 3gi2 s LEU 4 N -5.32 3.39 -0.02 2.42 2.96 -1.26 -0.58 118.68 120.27 3gi2 s LEU 4 Ca 0.59 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 54.39 3gi2 s LEU 4 Cb -0.14 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.75 3gi2 s LEU 4 CO 0.51 0.24 0.17 0.20 -1.32 0.00 0.00 176.35 176.15 3gi2 s ASN 5 N -0.03 -0.07 0.10 3.68 0.01 -0.29 -2.30 114.94 116.04 3gi2 s ASN 5 Ca 0.02 0.01 0.07 0.00 -0.71 0.00 0.00 52.86 52.25 3gi2 s ASN 5 Cb -0.13 0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.77 3gi2 s ASN 5 CO 0.02 -0.28 -0.08 0.00 -1.51 0.00 0.00 177.10 175.25 3gi2 s ILE 7 N -1.24 0.49 0.08 0.00 2.07 -0.78 -0.26 121.20 121.56 3gi2 s ILE 7 Ca 0.22 -0.26 -0.24 0.00 -1.41 0.00 0.00 60.65 58.97 3gi2 s ILE 7 Cb -0.11 -0.42 0.06 0.00 0.13 0.00 0.00 42.46 42.12 3gi2 s ILE 7 CO 0.15 0.14 0.57 0.54 -1.91 0.00 0.00 174.94 174.43 3gi2 s VAL 8 N -0.08 0.02 -0.06 4.00 0.11 -0.64 -4.57 120.40 119.18 3gi2 s VAL 8 Ca 0.02 -0.14 0.05 0.00 -2.93 0.00 0.00 61.98 58.98 3gi2 s VAL 8 Cb -0.03 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 3gi2 s VAL 8 CO -0.00 -0.08 -0.23 0.00 -3.33 0.00 0.00 175.10 171.47 3gi2 s ALA 9 N -2.86 1.98 -0.01 1.54 0.00 -1.26 -0.90 121.76 120.25 3gi2 s ALA 9 Ca -0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 3gi2 s ALA 9 Cb -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3gi2 s ALA 9 CO -0.05 0.37 0.03 0.54 0.00 0.00 0.00 175.76 176.65 3gi2 s VAL 10 N -0.07 -0.00 0.87 0.00 0.11 -0.08 -4.63 120.40 116.59 3gi2 s VAL 10 Ca -0.05 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.89 3gi2 s VAL 10 Cb -0.13 -0.06 0.14 0.00 -1.53 0.00 0.00 36.38 34.80 3gi2 s VAL 10 CO 0.04 0.01 1.22 -0.94 -3.33 0.00 0.00 175.10 172.09 3gi2 s SER 11 N 0.08 3.88 0.44 3.54 1.04 -0.40 -0.25 113.70 122.04 3gi2 s SER 11 Ca -0.01 0.46 0.10 0.00 0.48 0.00 0.00 55.95 56.99 3gi2 s SER 11 Cb -0.01 -0.76 0.99 0.00 0.10 0.00 0.00 66.02 66.34 3gi2 s SER 11 CO -0.00 -2.26 2.08 1.56 0.98 0.00 0.00 173.24 175.59 3gi2 h GLN 12 N -1.26 0.33 -0.81 4.02 4.20 -0.89 0.43 115.11 121.13 3gi2 h GLN 12 Ca -0.45 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 3gi2 h GLN 12 Cb 1.28 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 3gi2 h GLN 12 CO 0.51 0.24 0.03 0.27 -0.67 0.00 0.00 178.83 179.22 3gi2 n ASN 13 N -4.48 3.39 -1.03 1.46 6.94 -1.26 -4.88 115.26 115.40 3gi2 n ASN 13 Ca 0.01 -2.50 -0.12 0.00 -0.02 0.00 0.00 54.58 51.94 3gi2 n ASN 13 Cb 0.09 -0.60 -0.04 0.00 -2.36 0.00 0.00 39.78 36.86 3gi2 n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3gi2 n MET 14 N 0.25 -0.88 -2.75 -3.83 2.81 0.14 -4.96 117.12 107.90 3gi2 n MET 14 Ca 0.16 0.87 -0.39 0.00 -1.81 0.00 0.00 57.70 56.53 3gi2 n MET 14 Cb 0.76 -4.93 -0.06 0.00 -0.71 0.00 0.00 33.22 28.29 3gi2 n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3gi2 s GLY 15 N -2.79 2.98 0.00 3.03 0.00 -1.25 -0.10 107.32 109.18 3gi2 s GLY 15 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.31 3gi2 s GLY 15 CO 0.00 1.11 0.00 0.29 0.00 0.00 0.00 173.10 174.50 3gi2 n ILE 16 N 1.06 0.00 -3.60 0.90 -5.35 0.16 -1.27 119.36 111.26 3gi2 n ILE 16 Ca -0.00 -0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.24 3gi2 n ILE 16 Cb 0.48 0.60 -0.04 0.00 -1.74 0.00 0.00 39.64 38.94 3gi2 n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3gi2 s GLY 17 N -1.12 -0.33 -0.19 3.28 0.00 -1.00 -4.37 107.32 103.59 3gi2 s GLY 17 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 44.72 44.70 3gi2 s GLY 17 CO 0.00 -0.22 0.41 1.25 0.00 0.00 0.00 173.10 174.54 3gi2 s LYS 18 N -3.75 0.33 -1.55 2.90 2.20 0.60 -0.56 119.74 119.92 3gi2 s LYS 18 Ca 0.02 0.98 -0.13 0.00 -0.36 0.00 0.00 55.97 56.48 3gi2 s LYS 18 Cb 0.01 0.24 0.09 0.00 -1.51 0.00 0.00 37.83 36.67 3gi2 s LYS 18 CO -0.12 -0.23 0.87 0.09 -0.36 0.00 0.00 175.35 175.60 3gi2 n ASN 19 N 5.14 -3.80 0.00 1.43 3.02 -1.26 -1.48 115.26 118.31 3gi2 n ASN 19 Ca -0.12 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 3gi2 n ASN 19 Cb 0.51 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 3gi2 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gi2 n GLY 20 N -1.63 0.50 1.52 7.41 0.00 -1.26 -4.99 105.19 106.74 3gi2 n GLY 20 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3gi2 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gi2 n ASP 21 N 0.03 -0.40 -4.81 1.61 -0.08 -0.55 -4.61 116.55 107.75 3gi2 n ASP 21 Ca 0.00 -2.00 -0.32 0.00 -1.51 0.00 0.00 54.79 50.96 3gi2 n ASP 21 Cb 0.00 0.87 0.03 0.00 2.34 0.00 0.00 41.12 44.36 3gi2 n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3gi2 s LEU 22 N 0.00 3.36 0.41 -2.67 1.43 -1.26 -0.30 118.68 119.65 3gi2 s LEU 22 Ca 0.18 1.75 0.22 0.00 -1.03 0.00 0.00 54.13 55.25 3gi2 s LEU 22 Cb 0.01 -4.52 0.74 0.00 0.03 0.00 0.00 46.19 42.45 3gi2 s LEU 22 CO 0.13 -1.29 1.75 -0.65 0.23 0.00 0.00 176.35 176.51 3gi2 h PRO 23 N -0.01 0.00 -6.22 1.29 0.11 -1.84 -3.40 132.00 121.94 3gi2 h PRO 23 Ca -0.46 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.11 3gi2 h PRO 23 Cb 1.22 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3gi2 h PRO 23 CO 0.57 0.27 -0.59 1.67 -0.21 0.00 0.00 178.00 179.71 3gi2 s TRP 24 N -3.52 2.93 1.01 0.65 -2.14 -1.26 -4.79 118.94 111.82 3gi2 s TRP 24 Ca 0.01 -0.14 -0.12 0.00 2.66 0.00 0.00 56.10 58.51 3gi2 s TRP 24 Cb 0.10 -1.34 0.20 0.00 -3.10 0.00 0.00 33.47 29.33 3gi2 s TRP 24 CO 0.66 0.56 1.08 -1.25 -2.66 0.00 0.00 176.95 175.33 3gi2 s PRO 25 N -3.59 0.29 0.20 3.25 0.04 -1.26 -4.88 135.00 129.05 3gi2 s PRO 25 Ca 0.31 0.91 -0.33 0.00 0.04 0.00 0.00 61.00 61.93 3gi2 s PRO 25 Cb -0.08 -1.69 -0.13 0.00 0.04 0.00 0.00 34.50 32.64 3gi2 s PRO 25 CO 0.22 -2.93 1.61 -2.30 0.04 0.00 0.00 177.00 173.65 3gi2 n PRO 26 N -4.37 2.42 -3.78 0.56 -0.02 -1.26 -4.94 135.00 123.62 3gi2 n PRO 26 Ca 0.06 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 62.06 3gi2 n PRO 26 Cb 0.55 -2.66 -0.11 0.00 -0.02 0.00 0.00 33.50 31.26 3gi2 n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gi2 s LEU 27 N 0.77 5.15 0.18 2.45 1.43 -1.26 -4.91 118.68 122.50 3gi2 s LEU 27 Ca 0.75 -2.48 -0.13 0.00 -1.03 0.00 0.00 54.13 51.24 3gi2 s LEU 27 Cb -0.60 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 43.90 3gi2 s LEU 27 CO 0.38 -0.44 1.83 0.03 0.23 0.00 0.00 176.35 178.38 3gi2 h ARG 28 N 7.46 0.66 0.00 1.70 3.08 -1.98 -0.52 114.38 124.78 3gi2 h ARG 28 Ca -0.07 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 3gi2 h ARG 28 Cb 0.99 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 3gi2 h ARG 28 CO 0.70 0.44 -0.34 -0.91 -1.07 0.00 0.00 179.97 178.78 3gi2 h ASN 29 N 0.68 0.00 -0.30 7.04 2.35 -1.98 -0.87 115.58 122.50 3gi2 h ASN 29 Ca 0.21 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.83 3gi2 h ASN 29 Cb -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3gi2 h ASN 29 CO -0.07 0.34 -0.32 -0.08 -1.65 0.00 0.00 177.43 175.65 3gi2 h GLU 30 N 0.00 0.74 -0.82 0.81 4.22 -1.66 -0.49 114.58 117.38 3gi2 h GLU 30 Ca -0.00 -0.40 -0.02 0.00 0.08 0.00 0.00 59.36 59.01 3gi2 h GLU 30 Cb 0.89 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 3gi2 h GLU 30 CO 0.04 1.02 0.42 0.74 -2.18 0.00 0.00 179.01 179.05 3gi2 h PHE 31 N 0.50 1.16 -0.49 0.92 0.04 -0.86 -1.38 116.94 116.83 3gi2 h PHE 31 Ca 0.04 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3gi2 h PHE 31 Cb 0.90 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 3gi2 h PHE 31 CO 0.07 0.82 0.32 0.00 -0.60 0.00 0.00 178.31 178.93 3gi2 h ARG 32 N 1.16 0.65 -0.15 1.51 3.08 -0.91 -0.71 114.38 119.02 3gi2 h ARG 32 Ca 0.29 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3gi2 h ARG 32 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3gi2 h ARG 32 CO -0.04 0.43 0.03 -0.92 -1.07 0.00 0.00 179.97 178.39 3gi2 h TYR 33 N 0.66 0.25 -0.62 3.04 5.03 -0.59 -0.26 116.97 124.49 3gi2 h TYR 33 Ca 0.18 -0.03 0.12 0.00 2.58 0.00 0.00 58.73 61.57 3gi2 h TYR 33 Cb -0.08 -0.07 -0.09 0.00 1.55 0.00 0.00 36.73 38.04 3gi2 h TYR 33 CO 0.00 0.41 0.14 0.35 -1.32 0.00 0.00 178.16 177.74 3gi2 h PHE 34 N 0.02 0.21 -0.40 -3.82 3.57 -0.74 -0.11 116.94 115.68 3gi2 h PHE 34 Ca 0.04 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3gi2 h PHE 34 Cb 0.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3gi2 h PHE 34 CO 0.02 -0.04 0.02 -0.22 -2.23 0.00 0.00 178.31 175.85 3gi2 h LYS 35 N 0.26 0.69 -0.35 1.11 3.64 -0.86 -0.49 116.57 120.57 3gi2 h LYS 35 Ca 0.33 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3gi2 h LYS 35 Cb 0.50 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3gi2 h LYS 35 CO -0.42 0.77 0.10 -0.09 -2.27 0.00 0.00 179.45 177.54 3gi2 h ARG 36 N 0.52 0.56 -0.19 1.90 2.43 -0.65 0.23 114.38 119.18 3gi2 h ARG 36 Ca 0.11 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3gi2 h ARG 36 Cb 0.45 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3gi2 h ARG 36 CO 0.02 0.59 0.01 0.52 -1.51 0.00 0.00 179.97 179.60 3gi2 h MET 37 N 0.42 0.33 0.00 0.20 2.86 -0.87 -1.97 114.93 115.88 3gi2 h MET 37 Ca 0.11 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 3gi2 h MET 37 Cb 0.28 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3gi2 h MET 37 CO -0.00 0.51 -0.43 1.79 1.06 0.00 0.00 176.91 179.84 3gi2 h THR 38 N 0.10 0.97 0.02 2.22 1.35 -1.02 -3.29 112.91 113.25 3gi2 h THR 38 Ca 0.06 -1.70 -0.30 0.00 -0.55 0.00 0.00 66.41 63.92 3gi2 h THR 38 Cb 0.36 2.02 -0.04 0.00 -1.73 0.00 0.00 68.15 68.75 3gi2 h THR 38 CO 0.01 0.42 -1.70 0.74 -0.25 0.00 0.00 175.52 174.74 3gi2 h THR 39 N 0.00 0.88 -2.94 6.82 2.02 -0.88 -3.43 112.91 115.38 3gi2 h THR 39 Ca -0.00 -2.70 -0.57 0.00 0.77 0.00 0.00 66.41 63.91 3gi2 h THR 39 Cb 0.99 2.47 -0.04 0.00 -1.74 0.00 0.00 68.15 69.83 3gi2 h THR 39 CO 0.06 0.58 0.99 -0.89 0.37 0.00 0.00 175.52 176.63 3gi2 s THR 40 N -2.60 4.06 -0.19 3.16 2.01 -0.75 -4.58 115.64 116.75 3gi2 s THR 40 Ca -0.07 1.23 -0.06 0.00 0.31 0.00 0.00 61.69 63.10 3gi2 s THR 40 Cb 0.08 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 3gi2 s THR 40 CO 0.82 -0.28 0.04 -0.55 -0.69 0.00 0.00 174.62 173.95 3gi2 s SER 41 N 2.83 5.29 0.43 3.53 0.15 -1.26 -4.95 113.70 119.72 3gi2 s SER 41 Ca 0.60 -0.04 0.29 0.00 0.70 0.00 0.00 55.95 57.51 3gi2 s SER 41 Cb -0.21 -1.90 1.47 0.00 -1.71 0.00 0.00 66.02 63.66 3gi2 s SER 41 CO 0.22 0.13 1.89 0.77 1.20 0.00 0.00 173.24 177.45 3gi2 h SER 42 N 7.01 0.00 -3.25 5.45 4.64 -1.94 -3.45 113.55 122.01 3gi2 h SER 42 Ca -0.35 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.36 3gi2 h SER 42 Cb 1.18 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.92 3gi2 h SER 42 CO 0.66 0.00 -0.84 -0.69 -0.87 0.00 0.00 176.83 175.08 3gi2 s VAL 43 N -3.66 1.63 0.23 0.95 1.01 -1.26 -5.11 120.40 114.19 3gi2 s VAL 43 Ca -0.01 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 3gi2 s VAL 43 Cb 0.09 -1.48 -0.12 0.00 0.00 0.00 0.00 36.38 34.88 3gi2 s VAL 43 CO 0.34 0.47 1.67 -0.70 0.00 0.00 0.00 175.10 176.88 3gi2 s GLU 44 N 0.96 4.13 -0.44 2.72 2.56 -1.26 -2.67 118.70 124.70 3gi2 s GLU 44 Ca -0.06 2.58 0.00 0.00 0.00 0.00 0.00 54.97 57.49 3gi2 s GLU 44 Cb -0.15 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 32.91 3gi2 s GLU 44 CO -0.02 -0.71 0.00 0.41 -0.56 0.00 0.00 175.26 174.38 3gi2 n GLY 45 N 3.44 0.70 3.32 -1.50 0.00 -1.26 -5.02 105.19 104.86 3gi2 n GLY 45 Ca 0.14 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 3gi2 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gi2 s LYS 46 N -2.16 1.24 0.35 1.61 1.02 -1.09 -4.85 119.74 115.86 3gi2 s LYS 46 Ca 0.00 -1.47 0.09 0.00 0.02 0.00 0.00 55.97 54.61 3gi2 s LYS 46 Cb 0.00 -1.11 -0.06 0.00 -0.52 0.00 0.00 37.83 36.14 3gi2 s LYS 46 CO 0.00 0.20 -0.03 -0.65 -0.92 0.00 0.00 175.35 173.95 3gi2 s GLN 47 N -3.24 1.96 0.38 1.68 -0.21 -0.48 -4.86 119.66 114.90 3gi2 s GLN 47 Ca 0.18 -1.86 -0.06 0.00 0.02 0.00 0.00 55.36 53.64 3gi2 s GLN 47 Cb -0.03 -1.81 -0.05 0.00 1.00 0.00 0.00 33.01 32.12 3gi2 s GLN 47 CO 0.06 0.12 0.69 -0.80 -2.12 0.00 0.00 175.29 173.23 3gi2 s ASN 48 N -3.68 6.41 -0.14 5.90 0.01 -1.26 -0.78 114.94 121.40 3gi2 s ASN 48 Ca 0.34 0.89 -0.04 0.00 -0.71 0.00 0.00 52.86 53.35 3gi2 s ASN 48 Cb 0.02 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 3gi2 s ASN 48 CO 0.18 -0.38 -0.01 -0.22 -1.51 0.00 0.00 177.10 175.17 3gi2 s LEU 49 N -4.03 3.44 -0.16 0.60 2.96 -0.04 -1.06 118.68 120.39 3gi2 s LEU 49 Ca 0.47 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.34 3gi2 s LEU 49 Cb -0.10 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 3gi2 s LEU 49 CO 0.35 0.24 -0.04 0.68 -1.32 0.00 0.00 176.35 176.25 3gi2 s VAL 50 N -0.03 3.78 -0.15 1.68 -7.23 0.48 -0.55 120.40 118.39 3gi2 s VAL 50 Ca 0.03 -0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 59.79 3gi2 s VAL 50 Cb -0.13 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 3gi2 s VAL 50 CO 0.02 0.49 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.57 3gi2 s ILE 51 N 0.47 3.27 0.04 -0.62 1.01 -0.09 -0.73 121.20 124.56 3gi2 s ILE 51 Ca -0.04 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 3gi2 s ILE 51 Cb -0.14 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 39.94 3gi2 s ILE 51 CO 0.03 0.51 0.27 0.00 0.00 0.00 0.00 174.94 175.74 3gi2 s MET 52 N 0.48 0.76 0.85 2.79 0.23 -0.56 -1.03 119.30 122.82 3gi2 s MET 52 Ca -0.07 -0.52 -0.11 0.00 -1.03 0.00 0.00 55.69 53.95 3gi2 s MET 52 Cb -0.15 0.33 0.10 0.00 -1.53 0.00 0.00 34.83 33.58 3gi2 s MET 52 CO 0.04 -0.23 1.09 0.20 -2.03 0.00 0.00 175.02 174.09 3gi2 s GLY 53 N -2.01 1.64 0.19 3.16 0.00 0.51 -0.33 107.32 110.48 3gi2 s GLY 53 Ca -0.06 0.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.66 3gi2 s GLY 53 CO -0.03 0.55 1.86 1.70 0.00 0.00 0.00 173.10 177.17 3gi2 h LYS 54 N -1.42 0.87 -0.40 2.90 3.64 -1.83 -1.39 116.57 118.94 3gi2 h LYS 54 Ca -0.47 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 58.76 3gi2 h LYS 54 Cb 1.26 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 3gi2 h LYS 54 CO 0.52 0.59 -0.14 0.87 -2.27 0.00 0.00 179.45 179.03 3gi2 h LYS 55 N 0.89 0.73 -0.52 1.90 1.57 -1.93 -2.53 116.57 116.68 3gi2 h LYS 55 Ca 0.24 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3gi2 h LYS 55 Cb -0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3gi2 h LYS 55 CO -0.05 0.83 0.25 1.15 -0.57 0.00 0.00 179.45 181.06 3gi2 h THR 56 N 0.66 1.20 -0.34 -0.16 2.02 -1.79 -0.44 112.91 114.05 3gi2 h THR 56 Ca 0.11 -0.55 0.08 0.00 0.77 0.00 0.00 66.41 66.81 3gi2 h THR 56 Cb 0.60 0.60 -0.08 0.00 -1.74 0.00 0.00 68.15 67.53 3gi2 h THR 56 CO 0.04 0.22 -0.26 -0.25 0.37 0.00 0.00 175.52 175.64 3gi2 h TRP 57 N 0.70 -0.69 0.00 3.16 2.91 -1.01 -1.61 115.95 119.41 3gi2 h TRP 57 Ca 0.18 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.25 3gi2 h TRP 57 Cb 0.12 0.36 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 3gi2 h TRP 57 CO -0.01 -0.33 0.00 1.19 -1.03 0.00 0.00 178.44 178.26 3gi2 n PHE 58 N -5.39 0.23 0.43 2.65 3.01 -0.98 -1.76 117.46 115.65 3gi2 n PHE 58 Ca 0.01 0.08 0.13 0.00 1.01 0.00 0.00 57.45 58.68 3gi2 n PHE 58 Cb 0.31 -0.63 0.41 0.00 -0.01 0.00 0.00 39.48 39.56 3gi2 n PHE 58 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gi2 h SER 59 N 0.00 0.00 -3.38 4.37 4.64 -0.07 -3.45 113.55 115.66 3gi2 h SER 59 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3gi2 h SER 59 Cb 0.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 3gi2 h SER 59 CO 0.00 0.00 0.33 -0.63 -0.87 0.00 0.00 176.83 175.66 3gi2 s ILE 60 N -3.26 4.90 0.16 0.95 1.01 -0.72 -4.92 121.20 119.32 3gi2 s ILE 60 Ca 0.07 1.91 -0.33 0.00 0.00 0.00 0.00 60.65 62.29 3gi2 s ILE 60 Cb 0.09 -4.25 -0.16 0.00 0.01 0.00 0.00 42.46 38.16 3gi2 s ILE 60 CO 0.56 0.16 1.23 -2.65 0.00 0.00 0.00 174.94 174.24 3gi2 n PRO 61 N 4.05 1.27 -0.04 2.79 -0.02 -1.26 -4.81 135.00 136.98 3gi2 n PRO 61 Ca 0.05 0.45 0.14 0.00 -2.02 0.00 0.00 63.50 62.12 3gi2 n PRO 61 Cb 0.51 -2.00 0.57 0.00 -0.02 0.00 0.00 33.50 32.55 3gi2 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gi2 h GLU 62 N 3.76 0.25 0.00 -0.52 4.81 -1.93 0.99 114.58 121.94 3gi2 h GLU 62 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3gi2 h GLU 62 Cb 1.33 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3gi2 h GLU 62 CO 0.73 0.17 0.00 1.57 -0.73 0.00 0.00 179.01 180.74 3gi2 h LYS 63 N 0.26 0.00 -0.24 1.92 2.10 -2.00 -1.69 116.57 116.92 3gi2 h LYS 63 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 3gi2 h LYS 63 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 3gi2 h LYS 63 CO -0.05 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.49 3gi2 n ASN 64 N -2.81 2.62 -4.70 7.07 3.02 0.33 -4.95 115.26 115.85 3gi2 n ASN 64 Ca -0.02 -1.81 -0.34 0.00 -0.03 0.00 0.00 54.58 52.37 3gi2 n ASN 64 Cb 0.08 -0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.00 3gi2 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3gi2 s ARG 65 N -1.00 2.94 0.78 3.52 0.52 -0.64 -3.05 118.95 122.02 3gi2 s ARG 65 Ca 0.21 -0.47 -0.13 0.00 -0.52 0.00 0.00 55.73 54.82 3gi2 s ARG 65 Cb 0.12 -2.77 0.06 0.00 0.52 0.00 0.00 34.95 32.88 3gi2 s ARG 65 CO 0.16 0.68 1.16 -1.25 0.02 0.00 0.00 175.30 176.07 3gi2 s PRO 66 N -1.16 1.95 -0.15 3.54 0.04 -1.25 -4.99 135.00 132.98 3gi2 s PRO 66 Ca 0.16 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 3gi2 s PRO 66 Cb -0.11 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 3gi2 s PRO 66 CO 0.06 -1.94 2.07 1.28 0.04 0.00 0.00 177.00 178.52 3gi2 n LEU 67 N -3.20 3.32 -4.77 -3.56 4.77 -1.17 -4.86 117.00 107.52 3gi2 n LEU 67 Ca 0.12 0.59 -0.39 0.00 -0.03 0.00 0.00 56.01 56.30 3gi2 n LEU 67 Cb 0.51 -1.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.14 3gi2 n LEU 67 CO 0.49 -0.34 0.89 -1.59 -1.33 0.00 0.00 177.39 175.52 3gi2 s LYS 68 N 5.33 4.06 0.00 3.23 -2.85 -1.26 -2.89 119.74 125.36 3gi2 s LYS 68 Ca 0.98 1.98 0.00 0.00 -1.00 0.00 0.00 55.97 57.93 3gi2 s LYS 68 Cb -0.54 -2.75 0.00 0.00 -2.06 0.00 0.00 37.83 32.48 3gi2 s LYS 68 CO 0.44 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.94 3gi2 n GLY 69 N 0.69 0.71 3.25 0.59 0.00 -1.26 -4.96 105.19 104.20 3gi2 n GLY 69 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3gi2 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gi2 s ARG 70 N -0.15 1.07 -0.17 1.61 0.52 -1.14 -4.48 118.95 116.22 3gi2 s ARG 70 Ca 0.00 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 53.85 3gi2 s ARG 70 Cb 0.00 -1.25 -0.00 0.00 0.52 0.00 0.00 34.95 34.22 3gi2 s ARG 70 CO 0.00 0.29 1.04 0.42 0.02 0.00 0.00 175.30 177.08 3gi2 s ILE 71 N -1.12 4.69 -0.26 1.52 1.01 -0.22 -4.76 121.20 122.05 3gi2 s ILE 71 Ca 0.04 2.00 -0.10 0.00 0.00 0.00 0.00 60.65 62.60 3gi2 s ILE 71 Cb -0.10 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 3gi2 s ILE 71 CO 0.03 -0.09 0.14 0.20 0.00 0.00 0.00 174.94 175.22 3gi2 s ASN 72 N 1.20 5.72 -0.09 3.58 0.02 -1.26 -0.39 114.94 123.72 3gi2 s ASN 72 Ca 0.47 -0.05 0.04 0.00 -1.02 0.00 0.00 52.86 52.30 3gi2 s ASN 72 Cb -0.17 -2.05 -0.00 0.00 0.02 0.00 0.00 41.25 39.05 3gi2 s ASN 72 CO 0.12 -0.02 -0.24 -0.22 0.02 0.00 0.00 177.10 176.77 3gi2 s LEU 73 N 1.55 2.07 -0.06 0.60 0.20 0.09 -1.45 118.68 121.68 3gi2 s LEU 73 Ca 0.07 -0.54 -0.00 0.00 0.69 0.00 0.00 54.13 54.34 3gi2 s LEU 73 Cb -0.15 -1.38 -0.03 0.00 -0.43 0.00 0.00 46.19 44.19 3gi2 s LEU 73 CO 0.07 0.17 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.59 3gi2 s VAL 74 N 0.27 4.09 -0.26 1.68 1.01 -0.21 -1.49 120.40 125.49 3gi2 s VAL 74 Ca -0.16 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 3gi2 s VAL 74 Cb -0.17 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3gi2 s VAL 74 CO 0.08 0.55 0.28 -0.76 0.00 0.00 0.00 175.10 175.25 3gi2 s LEU 75 N -1.01 4.07 -0.27 3.92 1.43 0.56 -1.49 118.68 125.88 3gi2 s LEU 75 Ca 0.14 0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.19 3gi2 s LEU 75 Cb -0.11 -2.28 0.08 0.00 0.03 0.00 0.00 46.19 43.91 3gi2 s LEU 75 CO 0.04 -0.08 0.78 -0.55 0.23 0.00 0.00 176.35 176.77 3gi2 s SER 76 N 1.47 -0.70 0.02 2.29 0.15 -0.68 -2.44 113.70 113.81 3gi2 s SER 76 Ca 0.12 1.35 0.23 0.00 0.70 0.00 0.00 55.95 58.34 3gi2 s SER 76 Cb -0.15 1.36 -0.01 0.00 -1.71 0.00 0.00 66.02 65.51 3gi2 s SER 76 CO 0.09 -0.23 0.99 0.54 1.20 0.00 0.00 173.24 175.83 3gi2 n ARG 77 N 2.69 0.21 -0.00 5.44 1.74 -1.26 -4.24 116.66 121.24 3gi2 n ARG 77 Ca -0.14 -0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.71 3gi2 n ARG 77 Cb 0.55 -1.55 -0.14 0.00 -1.02 0.00 0.00 32.46 30.30 3gi2 n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gi2 n GLU 78 N -1.81 0.75 -1.84 5.56 1.02 -1.26 -4.91 120.64 118.15 3gi2 n GLU 78 Ca 0.02 0.26 -0.37 0.00 -0.02 0.00 0.00 57.16 57.05 3gi2 n GLU 78 Cb 0.41 -1.70 0.05 0.00 -0.02 0.00 0.00 31.44 30.18 3gi2 n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gi2 s LEU 79 N -6.99 3.68 -0.02 -4.62 1.43 -1.26 -4.94 118.68 105.96 3gi2 s LEU 79 Ca -0.23 2.59 0.19 0.00 -1.03 0.00 0.00 54.13 55.65 3gi2 s LEU 79 Cb 0.07 -4.51 -0.27 0.00 0.03 0.00 0.00 46.19 41.50 3gi2 s LEU 79 CO 0.76 -1.76 0.49 0.29 0.23 0.00 0.00 176.35 176.36 3gi2 n LYS 80 N -1.55 0.65 -3.75 1.70 4.76 -1.26 -5.00 118.16 113.72 3gi2 n LYS 80 Ca 0.14 -0.14 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 3gi2 n LYS 80 Cb 0.48 -1.43 -0.05 0.00 -1.84 0.00 0.00 35.03 32.19 3gi2 n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3gi2 s GLU 81 N -3.18 1.20 0.39 1.97 -1.05 -1.26 -5.14 118.70 111.63 3gi2 s GLU 81 Ca -0.04 -0.87 -0.26 0.00 -0.15 0.00 0.00 54.97 53.65 3gi2 s GLU 81 Cb 0.12 0.47 -0.11 0.00 -0.44 0.00 0.00 34.13 34.17 3gi2 s GLU 81 CO 0.77 -0.48 1.10 -2.30 0.95 0.00 0.00 175.26 175.30 3gi2 n PRO 82 N -0.26 1.57 -0.83 -4.83 -0.02 -1.26 -4.94 135.00 124.43 3gi2 n PRO 82 Ca -0.12 0.56 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 3gi2 n PRO 82 Cb 0.63 -2.11 0.15 0.00 -0.02 0.00 0.00 33.50 32.15 3gi2 n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3gi2 n PRO 83 N 0.28 -0.24 -1.65 0.52 -0.02 -1.26 -4.81 135.00 127.82 3gi2 n PRO 83 Ca 0.08 0.00 -0.56 0.00 -2.02 0.00 0.00 63.50 61.01 3gi2 n PRO 83 Cb 0.38 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 3gi2 n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3gi2 n GLN 84 N -3.72 1.03 0.00 -0.52 7.27 -1.26 -0.81 117.38 119.37 3gi2 n GLN 84 Ca 0.12 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.57 3gi2 n GLN 84 Cb 0.52 -2.02 0.00 0.00 2.41 0.00 0.00 30.24 31.14 3gi2 n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gi2 n GLY 85 N 3.33 3.21 3.89 1.69 0.00 -1.26 -4.92 105.19 111.13 3gi2 n GLY 85 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3gi2 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi2 s ALA 86 N -2.18 3.16 -0.24 4.61 0.00 0.01 -3.90 121.76 123.22 3gi2 s ALA 86 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.73 3gi2 s ALA 86 Cb 0.00 -2.90 -0.19 0.00 0.00 0.00 0.00 23.12 20.02 3gi2 s ALA 86 CO 0.00 -0.68 -0.13 0.72 0.00 0.00 0.00 175.76 175.67 3gi2 n HIS 87 N -2.65 0.04 -3.97 0.00 8.25 -0.52 -4.80 115.22 111.57 3gi2 n HIS 87 Ca 0.05 0.01 -0.09 0.00 -0.26 0.00 0.00 57.72 57.43 3gi2 n HIS 87 Cb 0.55 -1.01 -0.09 0.00 1.12 0.00 0.00 29.99 30.56 3gi2 n HIS 87 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3gi2 s PHE 88 N -2.51 0.30 -0.05 4.41 0.08 -0.94 -4.94 117.98 114.33 3gi2 s PHE 88 Ca -0.28 -0.69 0.02 0.00 0.12 0.00 0.00 56.93 56.09 3gi2 s PHE 88 Cb 0.08 -0.21 0.02 0.00 -0.57 0.00 0.00 43.02 42.34 3gi2 s PHE 88 CO 0.66 -0.38 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.16 3gi2 s LEU 89 N -2.42 1.48 0.13 -0.37 2.96 -1.26 -1.04 118.68 118.17 3gi2 s LEU 89 Ca -0.01 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 3gi2 s LEU 89 Cb 0.02 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 3gi2 s LEU 89 CO -0.07 -0.01 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.37 3gi2 s SER 90 N 0.74 2.06 0.00 3.68 0.01 -0.55 -4.97 113.70 114.66 3gi2 s SER 90 Ca -0.12 -0.86 0.24 0.00 1.31 0.00 0.00 55.95 56.53 3gi2 s SER 90 Cb -0.14 -0.07 0.26 0.00 0.21 0.00 0.00 66.02 66.28 3gi2 s SER 90 CO 0.01 -0.16 1.26 0.54 0.41 0.00 0.00 173.24 175.29 3gi2 n ARG 91 N 0.35 1.09 -3.54 12.44 1.74 -1.26 -1.68 116.66 125.79 3gi2 n ARG 91 Ca -0.14 -0.83 -0.09 0.00 -0.77 0.00 0.00 57.85 56.02 3gi2 n ARG 91 Cb 0.58 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 3gi2 n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gi2 s SER 92 N -2.48 -0.41 0.21 0.55 1.04 -1.26 -4.72 113.70 106.62 3gi2 s SER 92 Ca 0.21 -0.12 -0.09 0.00 0.48 0.00 0.00 55.95 56.42 3gi2 s SER 92 Cb 0.18 0.52 0.15 0.00 0.10 0.00 0.00 66.02 66.98 3gi2 s SER 92 CO 0.55 -0.88 1.82 0.25 0.98 0.00 0.00 173.24 175.97 3gi2 h LEU 93 N 2.00 0.96 -0.57 2.42 5.85 -1.99 -1.27 115.31 122.70 3gi2 h LEU 93 Ca -0.27 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 3gi2 h LEU 93 Cb 1.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3gi2 h LEU 93 CO 0.32 0.78 0.14 0.44 -0.34 0.00 0.00 178.44 179.78 3gi2 h ASP 94 N 1.06 0.87 -0.63 1.25 3.45 -1.99 0.10 116.42 120.54 3gi2 h ASP 94 Ca 0.27 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 3gi2 h ASP 94 Cb 0.04 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.55 3gi2 h ASP 94 CO -0.04 0.88 0.33 0.44 -1.57 0.00 0.00 179.24 179.28 3gi2 h ASP 95 N 0.82 0.79 -0.34 6.45 5.19 -1.87 -0.25 116.42 127.22 3gi2 h ASP 95 Ca 0.18 -0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.51 3gi2 h ASP 95 Cb 0.35 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 3gi2 h ASP 95 CO 0.00 0.67 0.18 0.00 -3.12 0.00 0.00 179.24 176.97 3gi2 h ALA 96 N 1.16 0.41 -0.11 3.45 0.00 -0.31 -1.87 119.26 121.99 3gi2 h ALA 96 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3gi2 h ALA 96 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gi2 h ALA 96 CO -0.03 -0.19 -0.45 -0.07 0.00 0.00 0.00 179.25 178.51 3gi2 h LEU 97 N 0.37 0.29 -0.93 0.00 3.38 -0.59 -2.75 115.31 115.08 3gi2 h LEU 97 Ca 0.14 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3gi2 h LEU 97 Cb 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3gi2 h LEU 97 CO -0.08 0.70 -0.09 0.11 0.09 0.00 0.00 178.44 179.18 3gi2 h LYS 98 N 0.22 0.69 -0.74 1.13 1.57 -0.86 -2.93 116.57 115.66 3gi2 h LYS 98 Ca 0.02 -0.21 0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3gi2 h LYS 98 Cb 0.89 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 3gi2 h LYS 98 CO 0.07 0.77 0.49 1.25 -0.57 0.00 0.00 179.45 181.45 3gi2 h LEU 99 N 0.64 0.56 -2.14 2.94 6.46 -1.04 0.10 115.31 122.84 3gi2 h LEU 99 Ca 0.12 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3gi2 h LEU 99 Cb 0.52 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 3gi2 h LEU 99 CO 0.03 0.34 -0.03 0.74 -0.62 0.00 0.00 178.44 178.89 3gi2 h THR 100 N 0.63 0.14 0.00 1.05 2.02 -1.42 -0.59 112.91 114.74 3gi2 h THR 100 Ca 0.34 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3gi2 h THR 100 Cb 0.49 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3gi2 h THR 100 CO -0.12 0.03 -0.70 -0.62 0.37 0.00 0.00 175.52 174.48 3gi2 n GLU 101 N -3.22 0.30 -1.17 6.66 -0.58 0.34 -2.77 120.64 120.20 3gi2 n GLU 101 Ca -0.01 0.07 -0.31 0.00 -0.42 0.00 0.00 57.16 56.49 3gi2 n GLU 101 Cb 0.20 -1.67 0.11 0.00 -0.57 0.00 0.00 31.44 29.51 3gi2 n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3gi2 s GLN 102 N -3.17 1.83 0.29 3.49 -1.52 -0.23 -4.57 119.66 115.78 3gi2 s GLN 102 Ca 0.06 1.13 -0.02 0.00 -1.95 0.00 0.00 55.36 54.58 3gi2 s GLN 102 Cb 0.13 -1.85 0.42 0.00 -0.22 0.00 0.00 33.01 31.49 3gi2 s GLN 102 CO 0.74 -1.93 1.93 -1.00 -0.25 0.00 0.00 175.29 174.77 3gi2 h PRO 103 N -1.34 1.04 -0.54 2.91 0.13 -1.93 0.21 132.00 132.48 3gi2 h PRO 103 Ca -0.45 -0.10 0.11 0.00 -0.87 0.00 0.00 66.00 64.69 3gi2 h PRO 103 Cb 1.25 -0.21 -0.11 0.00 0.13 0.00 0.00 31.00 32.06 3gi2 h PRO 103 CO 0.51 0.74 -0.17 1.05 -0.23 0.00 0.00 178.00 179.90 3gi2 h GLU 104 N 1.05 -0.04 0.00 0.86 4.11 -1.92 -3.31 114.58 115.33 3gi2 h GLU 104 Ca 0.27 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.62 3gi2 h GLU 104 Cb -0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3gi2 h GLU 104 CO -0.05 -0.03 -1.92 1.28 0.07 0.00 0.00 179.01 178.37 3gi2 n LEU 105 N -5.40 0.00 -0.30 3.06 4.77 -0.86 -4.60 117.00 113.67 3gi2 n LEU 105 Ca 0.05 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.24 3gi2 n LEU 105 Cb 0.30 0.11 0.39 0.00 -2.33 0.00 0.00 43.42 41.90 3gi2 n LEU 105 CO 0.07 0.11 0.82 0.00 -1.33 0.00 0.00 177.39 177.07 3gi2 n ALA 106 N -2.26 0.68 -0.14 -1.18 0.00 0.68 -0.38 120.51 117.91 3gi2 n ALA 106 Ca -0.10 0.93 0.05 0.00 0.00 0.00 0.00 53.44 54.32 3gi2 n ALA 106 Cb 0.63 -0.80 0.13 0.00 0.00 0.00 0.00 19.45 19.41 3gi2 n ALA 106 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3gi2 n ASN 107 N -5.16 2.78 -0.09 0.00 6.94 -1.26 -3.99 115.26 114.48 3gi2 n ASN 107 Ca 0.27 -1.99 -0.08 0.00 -0.02 0.00 0.00 54.58 52.76 3gi2 n ASN 107 Cb 0.91 -0.19 -0.15 0.00 -2.36 0.00 0.00 39.78 37.98 3gi2 n ASN 107 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3gi2 n LYS 108 N 0.36 0.83 -3.82 -3.83 5.02 0.49 -4.84 118.16 112.37 3gi2 n LYS 108 Ca 0.10 -0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 56.02 3gi2 n LYS 108 Cb 0.40 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 3gi2 n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gi2 s VAL 109 N -2.54 5.18 0.00 -0.18 1.01 -0.87 -1.38 120.40 121.61 3gi2 s VAL 109 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3gi2 s VAL 109 Cb 0.06 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3gi2 s VAL 109 CO 0.80 0.44 0.00 -0.67 0.00 0.00 0.00 175.10 175.67 3gi2 n ASP 110 N 3.59 0.00 -4.86 3.32 4.64 0.04 -4.20 116.55 119.08 3gi2 n ASP 110 Ca -0.16 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 52.94 3gi2 n ASP 110 Cb 0.52 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.55 3gi2 n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 3gi2 s MET 111 N 0.38 3.89 -0.16 -0.67 -1.94 -1.26 0.21 119.30 119.74 3gi2 s MET 111 Ca 0.00 0.57 -0.04 0.00 -1.71 0.00 0.00 55.69 54.52 3gi2 s MET 111 Cb 0.00 -2.41 -0.03 0.00 2.01 0.00 0.00 34.83 34.41 3gi2 s MET 111 CO 0.00 0.05 -0.04 0.08 -0.01 0.00 0.00 175.02 175.11 3gi2 s VAL 112 N -2.19 3.82 -0.21 -6.03 1.01 0.26 -0.86 120.40 116.19 3gi2 s VAL 112 Ca 0.53 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3gi2 s VAL 112 Cb -0.10 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.63 3gi2 s VAL 112 CO 0.24 0.48 -0.15 0.26 0.00 0.00 0.00 175.10 175.94 3gi2 s TRP 113 N 0.48 2.97 -0.18 5.22 0.52 0.29 -1.13 118.94 127.11 3gi2 s TRP 113 Ca -0.04 -1.84 -0.24 0.00 0.02 0.00 0.00 56.10 54.00 3gi2 s TRP 113 Cb -0.14 -1.94 -0.02 0.00 -1.15 0.00 0.00 33.47 30.22 3gi2 s TRP 113 CO 0.03 -0.82 0.77 0.42 0.02 0.00 0.00 176.95 177.37 3gi2 s ILE 114 N 1.24 4.92 -0.19 2.03 1.01 0.11 -0.91 121.20 129.41 3gi2 s ILE 114 Ca 0.00 1.50 0.15 0.00 0.00 0.00 0.00 60.65 62.30 3gi2 s ILE 114 Cb -0.16 -4.08 0.42 0.00 0.01 0.00 0.00 42.46 38.65 3gi2 s ILE 114 CO -0.09 0.05 1.30 1.33 0.00 0.00 0.00 174.94 177.53 3gi2 n VAL 115 N 4.72 2.18 0.00 2.92 0.24 -0.20 -1.87 118.33 126.32 3gi2 n VAL 115 Ca 0.03 -2.39 0.00 0.00 -2.04 0.00 0.00 64.34 59.93 3gi2 n VAL 115 Cb 0.49 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 3gi2 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gi2 n GLY 116 N -1.07 -2.27 0.00 7.63 0.00 -1.26 -4.92 105.19 103.31 3gi2 n GLY 116 Ca 0.21 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3gi2 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi2 n GLY 117 N -0.03 1.22 0.23 -0.02 0.00 -1.26 -0.37 105.19 104.96 3gi2 n GLY 117 Ca 0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 3gi2 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3gi2 h SER 118 N 0.00 0.64 -0.70 1.61 0.02 -1.97 -1.32 113.55 111.82 3gi2 h SER 118 Ca 0.00 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3gi2 h SER 118 Cb 0.00 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3gi2 h SER 118 CO 0.00 0.46 0.24 -1.28 -1.14 0.00 0.00 176.83 175.11 3gi2 h SER 119 N 0.75 1.01 -0.23 3.07 0.87 -1.95 0.06 113.55 117.13 3gi2 h SER 119 Ca 0.21 -0.20 -0.18 0.00 -1.23 0.00 0.00 61.79 60.39 3gi2 h SER 119 Cb -0.07 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.63 3gi2 h SER 119 CO -0.05 0.93 -0.57 0.58 -0.53 0.00 0.00 176.83 177.18 3gi2 h VAL 120 N 1.02 1.29 -0.50 2.23 2.07 -1.76 -1.84 116.25 118.76 3gi2 h VAL 120 Ca 0.23 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 66.01 3gi2 h VAL 120 Cb 0.27 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3gi2 h VAL 120 CO -0.01 0.57 0.27 1.88 0.02 0.00 0.00 177.57 180.30 3gi2 h TYR 121 N 0.54 0.50 -0.67 1.57 0.99 -1.05 -0.86 116.97 118.00 3gi2 h TYR 121 Ca -0.01 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 3gi2 h TYR 121 Cb 1.19 -0.15 -0.03 0.00 1.00 0.00 0.00 36.73 38.74 3gi2 h TYR 121 CO 0.08 0.26 0.24 -0.22 -0.00 0.00 0.00 178.16 178.53 3gi2 h LYS 122 N 0.53 1.01 -0.33 4.88 3.64 -0.74 0.11 116.57 125.68 3gi2 h LYS 122 Ca 0.21 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3gi2 h LYS 122 Cb 0.08 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3gi2 h LYS 122 CO -0.13 0.86 -0.03 1.49 -2.27 0.00 0.00 179.45 179.38 3gi2 h GLU 123 N 0.95 0.61 -0.74 1.90 4.81 -1.18 -2.31 114.58 118.62 3gi2 h GLU 123 Ca 0.22 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3gi2 h GLU 123 Cb 0.25 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 3gi2 h GLU 123 CO -0.01 0.75 0.49 0.00 -0.73 0.00 0.00 179.01 179.50 3gi2 h ALA 124 N 0.84 0.94 0.00 2.92 0.00 -0.97 -2.26 119.26 120.73 3gi2 h ALA 124 Ca 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gi2 h ALA 124 Cb 0.49 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gi2 h ALA 124 CO 0.02 0.35 -0.12 0.52 0.00 0.00 0.00 179.25 180.02 3gi2 h MET 125 N 1.00 0.00 -0.47 0.00 2.86 -0.70 -2.82 114.93 114.80 3gi2 h MET 125 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3gi2 h MET 125 Cb -0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3gi2 h MET 125 CO -0.06 0.12 0.00 0.09 1.06 0.00 0.00 176.91 178.12 3gi2 n ASN 126 N -3.25 3.44 -4.62 1.22 3.02 -0.89 -4.92 115.26 109.25 3gi2 n ASN 126 Ca 0.01 -1.96 -0.39 0.00 -0.03 0.00 0.00 54.58 52.21 3gi2 n ASN 126 Cb 0.39 -0.31 -0.09 0.00 -0.61 0.00 0.00 39.78 39.16 3gi2 n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3gi2 s HIS 127 N -1.19 3.27 0.23 3.10 2.46 -0.96 -5.04 115.29 117.16 3gi2 s HIS 127 Ca 0.38 0.48 -0.29 0.00 0.47 0.00 0.00 55.06 56.09 3gi2 s HIS 127 Cb 0.21 -2.58 -0.16 0.00 -0.13 0.00 0.00 32.58 29.92 3gi2 s HIS 127 CO 0.28 -0.20 0.81 -2.30 -2.47 0.00 0.00 174.74 170.87 3gi2 n PRO 128 N 5.20 0.69 0.00 2.88 -0.02 -1.26 -4.84 135.00 137.65 3gi2 n PRO 128 Ca -0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3gi2 n PRO 128 Cb 0.51 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3gi2 n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gi2 n GLY 129 N 1.65 0.79 3.62 -1.23 0.00 -1.26 -4.95 105.19 103.81 3gi2 n GLY 129 Ca 0.14 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 3gi2 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gi2 s HIS 130 N -1.54 3.26 -0.09 1.61 2.46 -1.26 -2.76 115.29 116.98 3gi2 s HIS 130 Ca 0.00 0.73 -0.06 0.00 0.47 0.00 0.00 55.06 56.20 3gi2 s HIS 130 Cb 0.00 -2.85 0.04 0.00 -0.13 0.00 0.00 32.58 29.64 3gi2 s HIS 130 CO 0.00 -0.35 0.23 -1.17 -2.47 0.00 0.00 174.74 170.98 3gi2 s LEU 131 N 2.49 0.71 0.08 8.88 2.96 -0.58 -4.51 118.68 128.71 3gi2 s LEU 131 Ca 0.25 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.67 3gi2 s LEU 131 Cb -0.15 0.71 -0.04 0.00 0.50 0.00 0.00 46.19 47.20 3gi2 s LEU 131 CO 0.09 -0.13 0.06 -0.54 -1.32 0.00 0.00 176.35 174.52 3gi2 s LYS 132 N 0.84 2.82 -0.16 1.98 1.02 -0.97 -1.23 119.74 124.03 3gi2 s LYS 132 Ca -0.06 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.22 3gi2 s LYS 132 Cb -0.07 -2.69 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 3gi2 s LYS 132 CO -0.05 0.56 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.26 3gi2 s LEU 133 N -2.38 2.33 -0.43 3.17 1.43 0.26 -0.62 118.68 122.44 3gi2 s LEU 133 Ca 0.29 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 3gi2 s LEU 133 Cb -0.12 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.63 3gi2 s LEU 133 CO 0.21 0.05 0.30 -0.36 0.23 0.00 0.00 176.35 176.79 3gi2 s PHE 134 N 1.01 3.27 -0.17 0.29 0.40 0.64 -0.41 117.98 123.00 3gi2 s PHE 134 Ca -0.02 -1.04 0.00 0.00 -0.60 0.00 0.00 56.93 55.28 3gi2 s PHE 134 Cb -0.15 -2.86 0.01 0.00 0.51 0.00 0.00 43.02 40.53 3gi2 s PHE 134 CO -0.04 -0.75 -0.17 0.08 0.70 0.00 0.00 175.22 175.04 3gi2 s VAL 135 N 1.57 2.45 -0.28 -0.44 1.01 0.04 -1.62 120.40 123.14 3gi2 s VAL 135 Ca 0.03 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 3gi2 s VAL 135 Cb -0.22 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3gi2 s VAL 135 CO 0.06 0.52 0.31 -0.89 0.00 0.00 0.00 175.10 175.10 3gi2 s THR 136 N 1.01 5.22 -0.55 3.92 2.01 -0.07 -0.57 115.64 126.61 3gi2 s THR 136 Ca -0.02 0.41 -0.24 0.00 0.31 0.00 0.00 61.69 62.15 3gi2 s THR 136 Cb -0.15 -3.65 0.04 0.00 0.01 0.00 0.00 72.50 68.76 3gi2 s THR 136 CO -0.04 0.17 0.92 -0.13 -0.69 0.00 0.00 174.62 174.85 3gi2 s ARG 137 N 1.96 3.32 -0.34 4.92 1.81 0.28 -0.90 118.95 129.99 3gi2 s ARG 137 Ca 0.12 -0.30 -0.26 0.00 -1.72 0.00 0.00 55.73 53.57 3gi2 s ARG 137 Cb -0.16 -4.05 0.01 0.00 -0.45 0.00 0.00 34.95 30.30 3gi2 s ARG 137 CO 0.10 -1.46 0.94 0.42 -0.68 0.00 0.00 175.30 174.62 3gi2 s ILE 138 N 3.86 4.61 -0.21 1.52 -1.09 0.66 -1.52 121.20 129.02 3gi2 s ILE 138 Ca 0.29 1.34 -0.01 0.00 -2.23 0.00 0.00 60.65 60.04 3gi2 s ILE 138 Cb -0.13 -4.32 0.10 0.00 -1.58 0.00 0.00 42.46 36.53 3gi2 s ILE 138 CO 0.19 -0.46 2.19 0.23 -1.23 0.00 0.00 174.94 175.86 3gi2 n MET 139 N 6.69 1.62 -4.04 2.79 2.81 0.47 -2.50 117.12 124.96 3gi2 n MET 139 Ca 0.08 -1.11 -0.10 0.00 -1.81 0.00 0.00 57.70 54.76 3gi2 n MET 139 Cb 0.48 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.41 3gi2 n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3gi2 s GLN 140 N -1.05 1.13 0.11 0.03 -0.21 -1.26 -4.83 119.66 113.59 3gi2 s GLN 140 Ca 0.26 -1.31 -0.20 0.00 0.02 0.00 0.00 55.36 54.13 3gi2 s GLN 140 Cb 0.18 0.33 -0.07 0.00 1.00 0.00 0.00 33.01 34.46 3gi2 s GLN 140 CO -0.02 -0.39 0.63 -0.51 -2.12 0.00 0.00 175.29 172.87 3gi2 s ASP 141 N -3.02 7.13 -0.01 5.90 1.01 -1.26 -1.31 116.67 125.11 3gi2 s ASP 141 Ca 0.22 1.36 0.01 0.00 0.71 0.00 0.00 52.55 54.85 3gi2 s ASP 141 Cb 0.05 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.58 3gi2 s ASP 141 CO 0.03 0.23 -0.04 -0.36 0.21 0.00 0.00 175.17 175.24 3gi2 s PHE 142 N -1.17 0.40 0.21 4.23 0.08 -1.26 -4.98 117.98 115.49 3gi2 s PHE 142 Ca 0.32 -0.07 -0.32 0.00 0.12 0.00 0.00 56.93 56.98 3gi2 s PHE 142 Cb -0.20 -0.29 -0.11 0.00 -0.57 0.00 0.00 43.02 41.85 3gi2 s PHE 142 CO 0.21 -0.03 1.67 -2.00 -0.10 0.00 0.00 175.22 174.97 3gi2 s GLU 143 N 0.05 4.14 0.05 0.44 2.12 -1.26 -4.79 118.70 119.45 3gi2 s GLU 143 Ca -0.00 2.55 -0.03 0.00 0.36 0.00 0.00 54.97 57.85 3gi2 s GLU 143 Cb -0.03 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 3gi2 s GLU 143 CO -0.00 -0.70 0.03 -1.12 -0.54 0.00 0.00 175.26 172.92 3gi2 s SER 144 N 1.05 0.34 0.00 -1.70 0.01 -1.26 -4.74 113.70 107.39 3gi2 s SER 144 Ca 0.72 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.20 3gi2 s SER 144 Cb -0.48 0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.96 3gi2 s SER 144 CO 0.34 -0.56 0.70 -0.90 0.41 0.00 0.00 173.24 173.24 3gi2 n ASP 145 N 0.44 1.32 -3.79 2.44 5.68 0.28 -4.97 116.55 117.95 3gi2 n ASP 145 Ca -0.17 -1.47 -0.13 0.00 -0.50 0.00 0.00 54.79 52.53 3gi2 n ASP 145 Cb 0.60 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.44 3gi2 n ASP 145 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3gi2 s THR 146 N -0.47 -0.02 0.12 2.12 -4.23 -0.98 -4.97 115.64 107.21 3gi2 s THR 146 Ca 0.00 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.66 3gi2 s THR 146 Cb 0.00 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.58 3gi2 s THR 146 CO 0.00 0.03 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.61 3gi2 s PHE 147 N 0.59 1.45 0.22 3.99 0.40 -1.26 -0.67 117.98 122.71 3gi2 s PHE 147 Ca -0.04 -0.54 -0.30 0.00 -0.60 0.00 0.00 56.93 55.45 3gi2 s PHE 147 Cb -0.06 -0.76 -0.09 0.00 0.51 0.00 0.00 43.02 42.63 3gi2 s PHE 147 CO -0.03 0.16 0.96 0.12 0.70 0.00 0.00 175.22 177.13 3gi2 s PHE 148 N -2.05 3.93 0.91 0.36 5.36 0.85 -4.63 117.98 122.70 3gi2 s PHE 148 Ca 0.09 1.88 -0.12 0.00 -0.96 0.00 0.00 56.93 57.82 3gi2 s PHE 148 Cb -0.05 -3.02 0.14 0.00 -0.34 0.00 0.00 43.02 39.74 3gi2 s PHE 148 CO 0.03 0.33 1.09 -2.14 -1.46 0.00 0.00 175.22 173.07 3gi2 s PRO 149 N -1.01 1.16 0.26 10.12 0.02 -1.26 -4.94 135.00 139.34 3gi2 s PRO 149 Ca 0.42 0.76 -0.31 0.00 0.02 0.00 0.00 61.00 61.90 3gi2 s PRO 149 Cb -0.26 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 3gi2 s PRO 149 CO 0.32 -2.29 1.59 -2.00 -0.33 0.00 0.00 177.00 174.29 3gi2 s GLU 150 N -4.95 4.16 -0.26 5.54 2.12 -1.26 -4.98 118.70 119.06 3gi2 s GLU 150 Ca 0.64 2.51 -0.18 0.00 0.36 0.00 0.00 54.97 58.30 3gi2 s GLU 150 Cb -0.18 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 3gi2 s GLU 150 CO 0.57 -0.62 0.53 0.42 -0.54 0.00 0.00 175.26 175.62 3gi2 s ILE 151 N 0.34 5.06 -0.54 -3.70 1.01 -1.26 -5.04 121.20 117.06 3gi2 s ILE 151 Ca 0.65 0.89 -0.26 0.00 0.00 0.00 0.00 60.65 61.93 3gi2 s ILE 151 Cb -0.47 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.19 3gi2 s ILE 151 CO 0.42 0.07 1.05 -0.62 0.00 0.00 0.00 174.94 175.86 3gi2 s ASP 152 N 1.55 6.42 0.03 3.58 3.68 -1.26 -4.89 116.67 125.78 3gi2 s ASP 152 Ca 0.22 -0.05 0.23 0.00 2.13 0.00 0.00 52.55 55.07 3gi2 s ASP 152 Cb -0.16 -2.49 0.95 0.00 -1.45 0.00 0.00 42.92 39.77 3gi2 s ASP 152 CO 0.09 -1.30 1.72 0.18 0.13 0.00 0.00 175.17 175.99 3gi2 n LEU 153 N 7.82 0.08 0.14 -1.34 4.77 -1.26 -1.11 117.00 126.09 3gi2 n LEU 153 Ca 0.06 0.51 0.02 0.00 -0.03 0.00 0.00 56.01 56.56 3gi2 n LEU 153 Cb 0.48 -0.49 0.35 0.00 -2.33 0.00 0.00 43.42 41.43 3gi2 n LEU 153 CO 0.67 -0.14 0.79 -0.08 -1.33 0.00 0.00 177.39 177.30 3gi2 h GLU 154 N 0.00 0.17 0.00 3.23 4.57 -2.03 -3.32 114.58 117.19 3gi2 h GLU 154 Ca 0.00 -0.05 -0.27 0.00 -1.18 0.00 0.00 59.36 57.86 3gi2 h GLU 154 Cb 0.41 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 3gi2 h GLU 154 CO 0.00 0.42 -2.00 0.36 -1.18 0.00 0.00 179.01 176.61 3gi2 n LYS 155 N -4.18 1.24 -3.19 1.92 2.85 -0.85 -4.87 118.16 111.08 3gi2 n LYS 155 Ca -0.01 0.03 -0.43 0.00 -1.05 0.00 0.00 58.31 56.84 3gi2 n LYS 155 Cb 0.35 -1.37 -0.07 0.00 -0.65 0.00 0.00 35.03 33.29 3gi2 n LYS 155 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3gi2 s TYR 156 N -2.35 3.08 -0.08 5.58 1.51 -0.27 -4.20 117.35 120.62 3gi2 s TYR 156 Ca -0.13 -0.45 -0.26 0.00 -1.01 0.00 0.00 57.07 55.21 3gi2 s TYR 156 Cb 0.05 -3.37 -0.03 0.00 -0.11 0.00 0.00 41.96 38.50 3gi2 s TYR 156 CO 0.53 -0.93 0.83 0.21 -1.11 0.00 0.00 175.55 175.08 3gi2 s LYS 157 N 2.51 4.43 -0.07 -0.62 2.20 -0.51 -4.48 119.74 123.20 3gi2 s LYS 157 Ca 0.15 1.10 -0.30 0.00 -0.36 0.00 0.00 55.97 56.56 3gi2 s LYS 157 Cb -0.18 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3gi2 s LYS 157 CO 0.13 -0.09 1.26 -1.17 -0.36 0.00 0.00 175.35 175.11 3gi2 s LEU 158 N 1.28 4.26 0.17 5.43 2.96 -1.26 -0.79 118.68 130.74 3gi2 s LEU 158 Ca 0.42 1.84 -0.28 0.00 -0.22 0.00 0.00 54.13 55.90 3gi2 s LEU 158 Cb -0.18 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 3gi2 s LEU 158 CO 0.19 -0.65 0.87 -0.76 -1.32 0.00 0.00 176.35 174.68 3gi2 s LEU 159 N 2.56 4.58 0.00 -0.68 1.43 0.78 -4.95 118.68 122.41 3gi2 s LEU 159 Ca 0.57 1.76 0.30 0.00 -1.03 0.00 0.00 54.13 55.73 3gi2 s LEU 159 Cb -0.25 -3.46 1.45 0.00 0.03 0.00 0.00 46.19 43.95 3gi2 s LEU 159 CO 0.21 0.12 2.01 -0.81 0.23 0.00 0.00 176.35 178.11 3gi2 n PRO 160 N 1.92 0.42 -3.46 1.29 -0.04 -1.26 -4.72 135.00 129.15 3gi2 n PRO 160 Ca -0.02 -0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 3gi2 n PRO 160 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 3gi2 n PRO 160 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3gi2 s GLU 161 N -2.60 1.12 -0.23 0.54 -1.05 -1.26 -5.14 118.70 110.09 3gi2 s GLU 161 Ca 0.27 -0.28 -0.11 0.00 -0.15 0.00 0.00 54.97 54.69 3gi2 s GLU 161 Cb 0.20 0.52 0.08 0.00 -0.44 0.00 0.00 34.13 34.49 3gi2 s GLU 161 CO 0.47 -0.47 0.54 -0.47 0.95 0.00 0.00 175.26 176.29 3gi2 s TYR 162 N -3.07 -0.88 0.17 4.83 5.04 -1.26 -5.05 117.35 117.12 3gi2 s TYR 162 Ca -0.00 1.75 -0.34 0.00 -2.44 0.00 0.00 57.07 56.04 3gi2 s TYR 162 Cb -0.01 0.47 -0.13 0.00 0.35 0.00 0.00 41.96 42.63 3gi2 s TYR 162 CO -0.08 -0.47 1.61 -2.30 -1.34 0.00 0.00 175.55 172.97 3gi2 n PRO 163 N 4.58 2.27 -0.47 4.97 -0.02 -1.26 -1.85 135.00 143.22 3gi2 n PRO 163 Ca -0.19 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3gi2 n PRO 163 Cb 0.55 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3gi2 n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gi2 n GLY 164 N 3.53 0.89 3.26 -1.23 0.00 -1.26 -5.01 105.19 105.37 3gi2 n GLY 164 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3gi2 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gi2 s VAL 165 N -3.02 3.12 0.33 1.61 1.01 -0.77 -5.09 120.40 117.59 3gi2 s VAL 165 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 3gi2 s VAL 165 Cb 0.00 -2.47 -0.11 0.00 0.00 0.00 0.00 36.38 33.80 3gi2 s VAL 165 CO 0.00 0.35 1.42 -0.76 0.00 0.00 0.00 175.10 176.11 3gi2 s LEU 166 N 1.42 4.38 -0.00 3.92 1.43 -1.26 -4.69 118.68 123.87 3gi2 s LEU 166 Ca 0.04 2.83 0.21 0.00 -1.03 0.00 0.00 54.13 56.17 3gi2 s LEU 166 Cb -0.15 -3.65 -0.23 0.00 0.03 0.00 0.00 46.19 42.19 3gi2 s LEU 166 CO -0.04 -0.71 0.87 -1.20 0.23 0.00 0.00 176.35 175.50 3gi2 n SER 167 N 1.12 0.95 -4.97 2.29 7.64 -1.26 -4.40 113.62 114.99 3gi2 n SER 167 Ca 0.02 -0.96 -0.21 0.00 1.01 0.00 0.00 58.87 58.73 3gi2 n SER 167 Cb 0.40 1.03 0.03 0.00 -1.01 0.00 0.00 64.21 64.66 3gi2 n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3gi2 s ASP 168 N -3.02 5.43 0.10 6.43 3.84 -1.26 -4.89 116.67 123.30 3gi2 s ASP 168 Ca 0.07 0.04 -0.31 0.00 -0.00 0.00 0.00 52.55 52.35 3gi2 s ASP 168 Cb 0.16 -1.03 -0.07 0.00 -1.38 0.00 0.00 42.92 40.60 3gi2 s ASP 168 CO 0.86 -1.01 1.30 -0.69 -0.00 0.00 0.00 175.17 175.63 3gi2 s VAL 169 N -2.69 3.63 0.33 2.11 1.01 -1.26 -4.65 120.40 118.87 3gi2 s VAL 169 Ca 0.55 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.71 3gi2 s VAL 169 Cb -0.10 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3gi2 s VAL 169 CO 0.38 0.10 0.52 -1.10 0.00 0.00 0.00 175.10 175.00 3gi2 s GLN 170 N 1.01 3.49 -0.20 2.72 -1.52 0.10 -4.95 119.66 120.31 3gi2 s GLN 170 Ca 0.61 -0.37 -0.10 0.00 -1.95 0.00 0.00 55.36 53.56 3gi2 s GLN 170 Cb -0.33 -2.69 0.07 0.00 -0.22 0.00 0.00 33.01 29.84 3gi2 s GLN 170 CO 0.30 0.19 0.47 -2.00 -0.25 0.00 0.00 175.29 174.00 3gi2 s GLU 171 N -4.22 0.43 -0.01 2.91 2.12 -1.26 -0.80 118.70 117.88 3gi2 s GLU 171 Ca 0.39 0.96 -0.01 0.00 0.36 0.00 0.00 54.97 56.67 3gi2 s GLU 171 Cb -0.10 0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.44 3gi2 s GLU 171 CO 0.35 -0.18 0.03 -1.21 -0.54 0.00 0.00 175.26 173.70 3gi2 s GLU 172 N 1.85 0.10 -1.46 4.30 2.02 -0.67 -4.87 118.70 119.96 3gi2 s GLU 172 Ca -0.07 -0.07 -0.03 0.00 0.02 0.00 0.00 54.97 54.82 3gi2 s GLU 172 Cb -0.09 0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.19 3gi2 s GLU 172 CO -0.14 -0.02 0.24 1.63 0.02 0.00 0.00 175.26 176.99 3gi2 n LYS 173 N 2.78 -2.98 -1.21 1.61 4.76 -1.26 -0.56 118.16 121.29 3gi2 n LYS 173 Ca -0.14 0.80 -0.07 0.00 -2.87 0.00 0.00 58.31 56.03 3gi2 n LYS 173 Cb 0.59 -5.51 -0.03 0.00 -1.84 0.00 0.00 35.03 28.23 3gi2 n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gi2 n GLY 174 N -1.13 0.90 3.19 0.72 0.00 -1.26 -5.00 105.19 102.62 3gi2 n GLY 174 Ca -0.15 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3gi2 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gi2 s ILE 175 N -2.11 2.65 0.16 -0.61 1.01 0.27 -5.10 121.20 117.46 3gi2 s ILE 175 Ca 0.00 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 59.59 3gi2 s ILE 175 Cb 0.00 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 40.17 3gi2 s ILE 175 CO 0.00 0.40 0.68 -0.54 0.00 0.00 0.00 174.94 175.48 3gi2 s LYS 176 N 1.35 4.30 0.16 2.79 1.02 -1.26 -1.67 119.74 126.43 3gi2 s LYS 176 Ca 0.04 0.88 -0.13 0.00 0.02 0.00 0.00 55.97 56.78 3gi2 s LYS 176 Cb -0.14 -3.10 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 3gi2 s LYS 176 CO -0.08 0.52 0.37 1.52 -0.92 0.00 0.00 175.35 176.77 3gi2 s TYR 177 N -1.29 0.10 0.03 3.18 -0.85 0.02 -0.39 117.35 118.14 3gi2 s TYR 177 Ca 0.36 -0.46 -0.07 0.00 -0.52 0.00 0.00 57.07 56.39 3gi2 s TYR 177 Cb -0.19 0.14 -0.00 0.00 0.38 0.00 0.00 41.96 42.29 3gi2 s TYR 177 CO 0.22 -0.76 0.13 -1.59 -1.52 0.00 0.00 175.55 172.03 3gi2 s LYS 178 N -3.90 0.59 -0.07 -3.49 -2.85 -0.58 0.02 119.74 109.47 3gi2 s LYS 178 Ca 0.11 -0.64 -0.04 0.00 -1.00 0.00 0.00 55.97 54.40 3gi2 s LYS 178 Cb 0.02 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 3gi2 s LYS 178 CO -0.04 -0.15 0.13 -0.06 0.10 0.00 0.00 175.35 175.32 3gi2 s PHE 179 N -2.30 3.49 0.04 1.78 0.40 -1.26 -0.56 117.98 119.57 3gi2 s PHE 179 Ca -0.07 0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.67 3gi2 s PHE 179 Cb -0.03 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 3gi2 s PHE 179 CO -0.03 0.66 -0.08 -1.21 0.70 0.00 0.00 175.22 175.25 3gi2 s GLU 180 N -1.39 0.55 -0.08 0.44 2.02 0.26 -4.88 118.70 115.61 3gi2 s GLU 180 Ca 0.20 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.45 3gi2 s GLU 180 Cb -0.12 -0.34 0.02 0.00 0.10 0.00 0.00 34.13 33.79 3gi2 s GLU 180 CO 0.10 0.06 -0.11 0.08 0.02 0.00 0.00 175.26 175.41 3gi2 s VAL 181 N -1.33 1.14 0.04 2.63 1.01 -1.26 -0.78 120.40 121.85 3gi2 s VAL 181 Ca -0.09 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3gi2 s VAL 181 Cb -0.10 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3gi2 s VAL 181 CO 0.01 0.37 -0.05 -0.31 0.00 0.00 0.00 175.10 175.11 3gi2 s TYR 182 N 1.02 2.90 -0.03 5.22 1.51 0.45 -0.16 117.35 128.26 3gi2 s TYR 182 Ca -0.08 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 3gi2 s TYR 182 Cb -0.15 -1.57 0.02 0.00 -0.11 0.00 0.00 41.96 40.16 3gi2 s TYR 182 CO -0.01 0.41 -0.01 -2.00 -1.11 0.00 0.00 175.55 172.84 3gi2 s GLU 183 N -1.77 0.37 0.40 -0.62 2.12 0.03 -0.58 118.70 118.66 3gi2 s GLU 183 Ca 0.20 0.02 0.07 0.00 0.36 0.00 0.00 54.97 55.63 3gi2 s GLU 183 Cb -0.11 -0.50 -0.07 0.00 0.26 0.00 0.00 34.13 33.70 3gi2 s GLU 183 CO 0.11 -0.10 0.02 -1.59 -0.54 0.00 0.00 175.26 173.17 3gi2 s LYS 184 N 0.85 1.99 -0.29 4.30 -2.85 -0.37 -1.43 119.74 121.94 3gi2 s LYS 184 Ca -0.09 -2.05 0.02 0.00 -1.00 0.00 0.00 55.97 52.85 3gi2 s LYS 184 Cb -0.12 -1.70 0.19 0.00 -2.06 0.00 0.00 37.83 34.14 3gi2 s LYS 184 CO -0.01 -0.03 0.58 1.21 0.10 0.00 0.00 175.35 177.19 3gi2 s ASN 185 N -3.73 -1.35 0.00 0.03 3.04 -1.26 -1.52 114.94 110.16 3gi2 s ASN 185 Ca 0.36 0.51 0.00 0.00 0.04 0.00 0.00 52.86 53.77 3gi2 s ASN 185 Cb 0.08 2.03 0.00 0.00 -1.54 0.00 0.00 41.25 41.82 3gi2 s ASN 185 CO 0.19 -0.28 0.00 -0.90 -3.04 0.00 0.00 177.10 173.06