#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ge1 s VAL 2 N 0.00 3.95 0.56 3.15 1.01 -1.26 -1.32 120.40 126.49 1ge1 s VAL 2 Ca 0.00 -1.06 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 1ge1 s VAL 2 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1ge1 s VAL 2 CO 0.00 -0.18 1.11 -0.36 0.00 0.00 0.00 175.10 175.67 1ge1 s PHE 3 N 1.44 2.73 0.33 5.22 0.08 -0.48 -5.00 117.98 122.30 1ge1 s PHE 3 Ca -0.01 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.53 1ge1 s PHE 3 Cb -0.19 -3.22 -0.05 0.00 -0.57 0.00 0.00 43.02 38.99 1ge1 s PHE 3 CO 0.04 -1.45 0.63 -1.21 -0.10 0.00 0.00 175.22 173.12 1ge1 s GLU 4 N -3.47 3.67 0.04 0.44 2.02 -1.26 -4.87 118.70 115.28 1ge1 s GLU 4 Ca 0.70 0.15 -0.11 0.00 0.02 0.00 0.00 54.97 55.73 1ge1 s GLU 4 Cb -0.22 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 1ge1 s GLU 4 CO 0.29 0.12 1.18 -0.09 0.02 0.00 0.00 175.26 176.78 1ge1 h ARG 5 N 1.48 -0.14 -0.23 1.61 2.43 -1.96 -1.62 114.38 115.95 1ge1 h ARG 5 Ca -0.48 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1ge1 h ARG 5 Cb 1.19 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1ge1 h ARG 5 CO 0.65 -0.10 0.00 0.00 -1.51 0.00 0.00 179.97 179.02 1ge1 h GLU 7 N 0.33 0.39 -0.48 0.00 4.81 -1.91 -1.41 114.58 116.30 1ge1 h GLU 7 Ca 0.08 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1ge1 h GLU 7 Cb 0.21 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1ge1 h GLU 7 CO 0.00 0.26 0.08 1.25 -0.73 0.00 0.00 179.01 179.87 1ge1 h LEU 8 N 0.40 0.76 -0.52 1.64 5.85 -0.57 -1.15 115.31 121.71 1ge1 h LEU 8 Ca 0.13 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1ge1 h LEU 8 Cb -0.00 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1ge1 h LEU 8 CO -0.06 0.83 0.23 0.00 -0.34 0.00 0.00 178.44 179.11 1ge1 h ALA 9 N 0.96 0.66 -0.32 1.25 0.00 -0.80 0.13 119.26 121.14 1ge1 h ALA 9 Ca 0.15 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1ge1 h ALA 9 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ge1 h ALA 9 CO 0.01 -0.14 -0.39 0.00 0.00 0.00 0.00 179.25 178.74 1ge1 h ARG 10 N 0.45 0.75 -0.52 0.00 3.08 -1.20 -1.17 114.38 115.76 1ge1 h ARG 10 Ca 0.24 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1ge1 h ARG 10 Cb 0.21 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1ge1 h ARG 10 CO -0.20 1.00 0.32 1.15 -1.07 0.00 0.00 179.97 181.17 1ge1 h THR 11 N 0.62 1.16 -0.49 2.04 2.02 -0.38 0.14 112.91 118.03 1ge1 h THR 11 Ca 0.05 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1ge1 h THR 11 Cb 0.93 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1ge1 h THR 11 CO 0.09 0.16 0.07 -0.07 0.37 0.00 0.00 175.52 176.14 1ge1 h LEU 12 N 0.70 0.78 -0.43 2.58 3.38 -0.64 -2.40 115.31 119.29 1ge1 h LEU 12 Ca 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ge1 h LEU 12 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1ge1 h LEU 12 CO -0.04 0.85 0.27 0.50 0.09 0.00 0.00 178.44 180.11 1ge1 h LYS 13 N 0.68 0.57 0.00 1.13 3.64 -0.86 -1.74 116.57 119.98 1ge1 h LYS 13 Ca 0.15 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1ge1 h LYS 13 Cb 0.41 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1ge1 h LYS 13 CO 0.01 0.40 -0.07 0.00 -2.27 0.00 0.00 179.45 177.52 1ge1 h ARG 14 N 0.57 0.00 -0.18 1.90 3.08 -0.84 -1.21 114.38 117.70 1ge1 h ARG 14 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1ge1 h ARG 14 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ge1 h ARG 14 CO -0.03 0.07 0.00 1.28 -1.07 0.00 0.00 179.97 180.22 1ge1 n LEU 15 N -3.97 1.24 0.00 3.04 4.77 -0.71 -4.91 117.00 116.45 1ge1 n LEU 15 Ca -0.03 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1ge1 n LEU 15 Cb 0.16 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1ge1 n LEU 15 CO 0.31 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1ge1 n GLY 16 N 0.96 0.38 0.12 -0.72 0.00 -0.46 -4.98 105.19 100.49 1ge1 n GLY 16 Ca 0.12 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 45.29 1ge1 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ge1 h MET 17 N 0.00 0.00 -6.28 1.61 2.86 -1.58 -3.40 114.93 108.14 1ge1 h MET 17 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1ge1 h MET 17 Cb 0.62 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 1ge1 h MET 17 CO 0.00 0.00 1.24 0.34 1.06 0.00 0.00 176.91 179.55 1ge1 s ASP 18 N -5.12 5.88 0.00 1.22 2.15 -1.26 -2.17 116.67 117.37 1ge1 s ASP 18 Ca 0.04 0.99 0.00 0.00 0.43 0.00 0.00 52.55 54.01 1ge1 s ASP 18 Cb 0.10 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1ge1 s ASP 18 CO 0.73 -1.77 0.00 0.61 -0.17 0.00 0.00 175.17 174.57 1ge1 n GLY 19 N 5.39 0.65 3.67 2.66 0.00 0.54 -4.93 105.19 113.17 1ge1 n GLY 19 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1ge1 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ge1 n TYR 20 N -2.67 2.49 -4.13 1.61 9.36 -0.92 -0.91 117.16 121.99 1ge1 n TYR 20 Ca 0.00 -0.31 -0.35 0.00 3.32 0.00 0.00 57.90 60.56 1ge1 n TYR 20 Cb 0.00 -2.78 -0.01 0.00 -0.63 0.00 0.00 39.34 35.92 1ge1 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ge1 n ARG 21 N 7.30 -3.89 -0.98 2.98 5.12 -1.26 -1.07 116.66 124.85 1ge1 n ARG 21 Ca 0.20 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.56 1ge1 n ARG 21 Cb 0.39 -5.23 0.00 0.00 -1.16 0.00 0.00 32.46 26.46 1ge1 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ge1 n GLY 22 N -1.48 0.71 3.57 -0.13 0.00 -0.08 -4.99 105.19 102.79 1ge1 n GLY 22 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1ge1 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ge1 s ILE 23 N -2.91 5.10 0.70 -0.61 1.01 -0.24 -4.87 121.20 119.40 1ge1 s ILE 23 Ca 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.90 1ge1 s ILE 23 Cb 0.00 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1ge1 s ILE 23 CO 0.00 -0.05 1.16 -0.94 0.00 0.00 0.00 174.94 175.11 1ge1 s SER 24 N 1.70 4.57 0.28 3.58 1.04 -1.26 -0.34 113.70 123.27 1ge1 s SER 24 Ca 0.16 2.18 -0.02 0.00 0.48 0.00 0.00 55.95 58.75 1ge1 s SER 24 Cb -0.16 -2.57 0.44 0.00 0.10 0.00 0.00 66.02 63.83 1ge1 s SER 24 CO 0.11 -2.00 1.90 0.25 0.98 0.00 0.00 173.24 174.49 1ge1 h LEU 25 N -0.21 1.01 -1.65 2.42 5.85 -1.92 -0.95 115.31 119.85 1ge1 h LEU 25 Ca -0.47 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1ge1 h LEU 25 Cb 1.27 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1ge1 h LEU 25 CO 0.51 0.66 0.13 0.00 -0.34 0.00 0.00 178.44 179.40 1ge1 h ALA 26 N 1.47 1.73 -0.33 1.25 0.00 -1.92 -0.66 119.26 120.80 1ge1 h ALA 26 Ca 0.41 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 1ge1 h ALA 26 Cb 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ge1 h ALA 26 CO -0.15 0.23 -0.38 -0.91 0.00 0.00 0.00 179.25 178.04 1ge1 h ASN 27 N 0.36 0.91 -0.77 0.00 2.35 -1.52 -1.34 115.58 115.58 1ge1 h ASN 27 Ca 0.09 -0.48 -0.05 0.00 -0.55 0.00 0.00 56.30 55.32 1ge1 h ASN 27 Cb 0.04 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1ge1 h ASN 27 CO -0.01 1.21 0.30 -0.50 -1.65 0.00 0.00 177.43 176.77 1ge1 h TRP 28 N 0.63 1.18 -0.16 1.19 -0.00 -0.96 -1.39 115.95 116.43 1ge1 h TRP 28 Ca 0.05 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 1ge1 h TRP 28 Cb 0.97 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.16 29.77 1ge1 h TRP 28 CO 0.07 0.90 0.06 0.52 -0.00 0.00 0.00 178.44 179.99 1ge1 h MET 29 N 1.12 0.25 -0.84 0.49 2.86 -1.05 -1.24 114.93 116.51 1ge1 h MET 29 Ca 0.26 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.88 1ge1 h MET 29 Cb 0.23 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.80 1ge1 h MET 29 CO -0.02 0.33 0.55 0.00 1.06 0.00 0.00 176.91 178.84 1ge1 h LEU 31 N 1.08 -0.25 -1.02 0.00 5.85 -0.96 -1.79 115.31 118.21 1ge1 h LEU 31 Ca 0.33 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1ge1 h LEU 31 Cb -0.02 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1ge1 h LEU 31 CO -0.09 -0.04 0.37 0.00 -0.34 0.00 0.00 178.44 178.34 1ge1 h ALA 32 N 0.29 1.24 0.06 1.25 0.00 -0.93 0.51 119.26 121.69 1ge1 h ALA 32 Ca -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ge1 h ALA 32 Cb 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ge1 h ALA 32 CO 0.05 0.59 -0.03 -0.22 0.00 0.00 0.00 179.25 179.64 1ge1 h LYS 33 N 1.06 -0.08 0.00 0.00 1.63 -0.76 -1.21 116.57 117.21 1ge1 h LYS 33 Ca 0.26 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1ge1 h LYS 33 Cb 0.09 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1ge1 h LYS 33 CO -0.04 -0.04 0.00 -1.49 -3.45 0.00 0.00 179.45 174.43 1ge1 h TRP 34 N -0.09 0.00 0.10 1.91 4.06 -1.11 -0.70 115.95 120.12 1ge1 h TRP 34 Ca -0.01 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.63 1ge1 h TRP 34 Cb 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1ge1 h TRP 34 CO -0.07 0.00 -1.61 0.93 -3.56 0.00 0.00 178.44 174.13 1ge1 h GLU 35 N 0.00 0.22 0.00 0.49 4.39 -0.77 -3.44 114.58 115.47 1ge1 h GLU 35 Ca 0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1ge1 h GLU 35 Cb 0.96 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1ge1 h GLU 35 CO 0.00 1.05 0.00 -1.13 -1.16 0.00 0.00 179.01 177.77 1ge1 n SER 36 N -3.40 0.00 -1.41 1.42 3.41 -0.50 -4.70 113.62 108.44 1ge1 n SER 36 Ca -0.18 -0.72 -0.13 0.00 -0.26 0.00 0.00 58.87 57.58 1ge1 n SER 36 Cb 1.04 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.98 1ge1 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ge1 n GLY 37 N 0.00 0.05 2.28 5.00 0.00 -0.27 -2.22 105.19 110.03 1ge1 n GLY 37 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1ge1 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ge1 n TYR 38 N -3.82 -0.34 -3.54 1.61 0.53 -1.16 -4.78 117.16 105.67 1ge1 n TYR 38 Ca -0.15 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.32 1ge1 n TYR 38 Cb 0.59 -2.52 -0.11 0.00 -1.03 0.00 0.00 39.34 36.28 1ge1 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ge1 s ASN 39 N -2.63 5.93 0.36 7.72 2.47 -0.94 -1.39 114.94 126.46 1ge1 s ASN 39 Ca 0.00 -0.72 0.27 0.00 0.42 0.00 0.00 52.86 52.83 1ge1 s ASN 39 Cb 0.00 -2.10 1.17 0.00 -1.45 0.00 0.00 41.25 38.86 1ge1 s ASN 39 CO 0.00 -0.34 1.81 0.71 -3.72 0.00 0.00 177.10 175.57 1ge1 h THR 40 N 5.65 0.00 -0.04 -5.21 1.35 -1.52 -2.53 112.91 110.60 1ge1 h THR 40 Ca -0.29 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1ge1 h THR 40 Cb 1.13 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1ge1 h THR 40 CO 0.67 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.48 1ge1 n ARG 41 N -2.51 2.11 -1.73 4.72 1.74 -1.26 -4.10 116.66 115.62 1ge1 n ARG 41 Ca 0.01 -1.61 -0.42 0.00 -0.77 0.00 0.00 57.85 55.06 1ge1 n ARG 41 Cb 0.23 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 1ge1 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ge1 n ALA 42 N 0.95 2.12 -2.98 7.54 0.00 -0.96 -4.79 120.51 122.39 1ge1 n ALA 42 Ca 0.16 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 1ge1 n ALA 42 Cb 0.52 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.44 1ge1 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ge1 s THR 43 N -0.44 0.00 -0.15 0.00 -4.23 -1.26 -1.03 115.64 108.54 1ge1 s THR 43 Ca 0.61 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1ge1 s THR 43 Cb -0.52 -0.16 0.05 0.00 1.34 0.00 0.00 72.50 73.20 1ge1 s THR 43 CO 0.54 -0.02 0.02 0.21 -0.54 0.00 0.00 174.62 174.84 1ge1 s ASN 44 N -0.02 2.43 0.04 3.99 2.47 -0.53 -4.95 114.94 118.38 1ge1 s ASN 44 Ca -0.01 -0.56 -0.24 0.00 0.42 0.00 0.00 52.86 52.47 1ge1 s ASN 44 Cb -0.01 -0.54 -0.06 0.00 -1.45 0.00 0.00 41.25 39.19 1ge1 s ASN 44 CO 0.00 -0.27 0.74 -0.47 -3.72 0.00 0.00 177.10 173.38 1ge1 s TYR 45 N 1.90 3.74 -0.45 0.43 6.14 -1.26 -0.67 117.35 127.18 1ge1 s TYR 45 Ca 0.01 1.43 -0.07 0.00 0.64 0.00 0.00 57.07 59.09 1ge1 s TYR 45 Cb -0.15 -2.78 0.12 0.00 0.42 0.00 0.00 41.96 39.57 1ge1 s TYR 45 CO -0.07 0.30 0.30 -0.80 0.64 0.00 0.00 175.55 175.92 1ge1 s ASN 46 N -0.15 5.54 0.50 4.32 0.01 0.01 -4.96 114.94 120.22 1ge1 s ASN 46 Ca 0.37 -1.97 0.21 0.00 -0.71 0.00 0.00 52.86 50.76 1ge1 s ASN 46 Cb -0.20 -1.94 1.31 0.00 0.41 0.00 0.00 41.25 40.83 1ge1 s ASN 46 CO 0.22 -0.64 2.09 0.00 -1.51 0.00 0.00 177.10 177.26 1ge1 h ALA 47 N 8.29 1.62 -0.58 0.60 0.00 -1.96 -0.55 119.26 126.69 1ge1 h ALA 47 Ca -0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ge1 h ALA 47 Cb 1.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1ge1 h ALA 47 CO 0.80 0.13 0.38 0.78 0.00 0.00 0.00 179.25 181.33 1ge1 h GLY 48 N 0.42 0.81 -0.02 0.00 0.00 -1.95 -3.27 103.07 99.06 1ge1 h GLY 48 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1ge1 h GLY 48 CO 0.01 0.30 -0.01 2.09 0.00 0.00 0.00 176.54 178.94 1ge1 n ASP 49 N -4.68 1.87 -2.92 0.19 5.75 -1.16 -5.01 116.55 110.59 1ge1 n ASP 49 Ca 0.04 -2.11 -0.22 0.00 -0.01 0.00 0.00 54.79 52.48 1ge1 n ASP 49 Cb 0.03 -0.08 0.02 0.00 -1.03 0.00 0.00 41.12 40.06 1ge1 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ge1 n ARG 50 N -0.62 -4.13 -4.07 0.11 1.74 -0.22 -4.74 116.66 104.73 1ge1 n ARG 50 Ca 0.03 0.88 -0.24 0.00 -0.77 0.00 0.00 57.85 57.75 1ge1 n ARG 50 Cb 0.35 -5.69 -0.07 0.00 -1.02 0.00 0.00 32.46 26.03 1ge1 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ge1 s SER 51 N -2.57 4.51 -0.01 0.55 1.04 -1.16 -4.49 113.70 111.58 1ge1 s SER 51 Ca 0.25 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.70 1ge1 s SER 51 Cb -0.11 -0.53 -0.00 0.00 0.10 0.00 0.00 66.02 65.48 1ge1 s SER 51 CO 0.31 -0.51 -0.06 -0.89 0.98 0.00 0.00 173.24 173.07 1ge1 s THR 52 N -2.56 0.45 -0.16 2.02 2.01 -1.26 -0.81 115.64 115.33 1ge1 s THR 52 Ca 0.41 -0.24 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 1ge1 s THR 52 Cb 0.02 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1ge1 s THR 52 CO 0.23 0.13 0.44 -1.81 -0.69 0.00 0.00 174.62 172.92 1ge1 s ASP 53 N -0.11 6.56 -0.08 3.53 1.01 0.16 -1.06 116.67 126.68 1ge1 s ASP 53 Ca 0.02 0.67 0.03 0.00 0.71 0.00 0.00 52.55 53.98 1ge1 s ASP 53 Cb -0.03 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 1ge1 s ASP 53 CO -0.00 -0.04 -0.17 -0.31 0.21 0.00 0.00 175.17 174.86 1ge1 s TYR 54 N 0.98 2.67 0.00 4.23 2.02 0.63 -1.45 117.35 126.42 1ge1 s TYR 54 Ca 0.23 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1ge1 s TYR 54 Cb -0.15 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 1ge1 s TYR 54 CO 0.09 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.40 1ge1 n GLY 55 N 2.93 -1.63 0.27 0.71 0.00 -0.20 -1.57 105.19 105.70 1ge1 n GLY 55 Ca -0.18 -1.32 0.10 0.00 0.00 0.00 0.00 46.02 44.62 1ge1 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ge1 h ILE 56 N 0.00 0.93 -0.47 -0.61 2.10 -1.70 -1.29 117.51 116.47 1ge1 h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ge1 h ILE 56 Cb 0.00 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 1ge1 h ILE 56 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1ge1 n PHE 57 N -4.46 0.62 -3.96 2.19 0.99 -1.26 -4.00 117.46 107.59 1ge1 n PHE 57 Ca -0.02 -0.45 -0.35 0.00 -0.00 0.00 0.00 57.45 56.63 1ge1 n PHE 57 Cb 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 38.60 1ge1 n PHE 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ge1 n ALA 58 N 1.01 -2.37 -2.67 4.37 0.00 -0.49 -4.88 120.51 115.48 1ge1 n ALA 58 Ca 0.17 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1ge1 n ALA 58 Cb 0.50 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 1ge1 n ALA 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ge1 s ILE 59 N -3.73 4.74 0.15 0.00 1.01 -0.61 -4.46 121.20 118.30 1ge1 s ILE 59 Ca 0.31 1.99 -0.27 0.00 0.00 0.00 0.00 60.65 62.68 1ge1 s ILE 59 Cb -0.14 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 37.98 1ge1 s ILE 59 CO 0.92 0.05 0.83 0.21 0.00 0.00 0.00 174.94 176.95 1ge1 s ASN 60 N 1.10 7.43 0.39 3.58 3.84 -1.26 -0.27 114.94 129.75 1ge1 s ASN 60 Ca 0.50 1.69 0.28 0.00 0.21 0.00 0.00 52.86 55.55 1ge1 s ASN 60 Cb -0.20 -2.53 1.18 0.00 -0.55 0.00 0.00 41.25 39.15 1ge1 s ASN 60 CO 0.21 0.13 1.84 0.77 -2.79 0.00 0.00 177.10 177.26 1ge1 h SER 61 N 4.68 0.00 0.15 -4.21 4.64 -1.34 -2.06 113.55 115.40 1ge1 h SER 61 Ca -0.46 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 1ge1 h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1ge1 h SER 61 CO 0.68 0.00 -0.22 -0.09 -0.87 0.00 0.00 176.83 176.33 1ge1 h ARG 62 N 0.00 0.15 0.00 4.77 2.43 -1.83 -3.40 114.38 116.50 1ge1 h ARG 62 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ge1 h ARG 62 Cb 0.41 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1ge1 h ARG 62 CO 0.00 0.37 -0.67 0.66 -1.51 0.00 0.00 179.97 178.82 1ge1 n TYR 63 N -4.21 0.00 -0.10 2.20 4.02 -1.17 -0.05 117.16 117.85 1ge1 n TYR 63 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.77 1ge1 n TYR 63 Cb 0.32 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.49 1ge1 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ge1 n TRP 64 N -1.65 0.09 -4.10 -0.72 7.02 -0.78 -0.17 117.44 117.12 1ge1 n TRP 64 Ca 0.00 0.03 -0.08 0.00 -1.02 0.00 0.00 57.50 56.43 1ge1 n TRP 64 Cb 0.34 -1.02 -0.10 0.00 -2.42 0.00 0.00 31.31 28.11 1ge1 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ge1 s ASN 66 N -2.95 5.66 0.00 0.00 2.47 -0.26 -4.57 114.94 115.29 1ge1 s ASN 66 Ca 0.11 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.42 1ge1 s ASN 66 Cb 0.08 -1.99 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 1ge1 s ASN 66 CO -0.08 0.10 0.77 -0.90 -3.72 0.00 0.00 177.10 173.28 1ge1 n ASP 67 N 4.02 1.53 0.00 -4.21 5.68 -1.26 -0.87 116.55 121.43 1ge1 n ASP 67 Ca -0.16 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 1ge1 n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1ge1 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ge1 n GLY 68 N -0.28 1.11 0.25 6.12 0.00 -1.26 -4.74 105.19 106.38 1ge1 n GLY 68 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1ge1 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ge1 n LYS 69 N -1.90 2.67 -3.62 1.61 2.85 -1.26 -4.97 118.16 113.53 1ge1 n LYS 69 Ca 0.00 -1.94 -0.38 0.00 -1.05 0.00 0.00 58.31 54.93 1ge1 n LYS 69 Cb 0.00 -1.23 -0.11 0.00 -0.65 0.00 0.00 35.03 33.04 1ge1 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ge1 s THR 70 N -1.49 4.93 -0.05 0.58 2.01 -1.26 -4.96 115.64 115.41 1ge1 s THR 70 Ca 0.15 -0.14 -0.37 0.00 0.31 0.00 0.00 61.69 61.64 1ge1 s THR 70 Cb 0.11 -3.43 -0.15 0.00 0.01 0.00 0.00 72.50 69.04 1ge1 s THR 70 CO 0.05 0.16 1.60 -2.65 -0.69 0.00 0.00 174.62 173.09 1ge1 n PRO 71 N 5.03 1.48 -2.04 4.92 -0.02 -1.26 -2.45 135.00 140.65 1ge1 n PRO 71 Ca -0.14 0.54 -0.11 0.00 -2.02 0.00 0.00 63.50 61.77 1ge1 n PRO 71 Cb 0.51 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1ge1 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ge1 n GLY 72 N 3.51 0.06 3.82 -1.23 0.00 -1.26 -4.93 105.19 105.16 1ge1 n GLY 72 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1ge1 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ge1 s ALA 73 N -2.33 2.62 0.47 4.61 0.00 -1.03 -5.04 121.76 121.07 1ge1 s ALA 73 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1ge1 s ALA 73 Cb 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1ge1 s ALA 73 CO 0.00 -1.29 0.06 1.33 0.00 0.00 0.00 175.76 175.85 1ge1 n VAL 74 N -3.17 0.00 -3.12 0.00 0.24 0.93 -4.99 118.33 108.23 1ge1 n VAL 74 Ca 0.07 -2.15 -0.20 0.00 -2.04 0.00 0.00 64.34 60.02 1ge1 n VAL 74 Cb 0.54 0.36 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 1ge1 n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1ge1 n ASN 75 N -1.37 -0.72 0.24 -1.34 5.15 -1.18 -3.90 115.26 112.14 1ge1 n ASN 75 Ca -0.17 -2.77 0.07 0.00 -0.60 0.00 0.00 54.58 51.12 1ge1 n ASN 75 Cb 0.58 -0.03 0.57 0.00 -0.53 0.00 0.00 39.78 40.37 1ge1 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ge1 h ALA 76 N 4.33 1.82 -0.00 5.20 0.00 -0.60 -1.79 119.26 128.22 1ge1 h ALA 76 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ge1 h ALA 76 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ge1 h ALA 76 CO 0.40 0.13 -0.22 0.00 0.00 0.00 0.00 179.25 179.55 1ge1 n HIS 78 N -0.97 -1.99 -3.97 0.00 -0.00 -0.67 -4.95 115.22 102.67 1ge1 n HIS 78 Ca 0.12 0.62 -0.09 0.00 -0.00 0.00 0.00 57.72 58.37 1ge1 n HIS 78 Cb 0.32 -3.77 -0.10 0.00 -0.00 0.00 0.00 29.99 26.44 1ge1 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ge1 s LEU 79 N -6.36 2.02 0.32 2.41 1.43 -1.26 -5.07 118.68 112.18 1ge1 s LEU 79 Ca 0.35 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.59 1ge1 s LEU 79 Cb -0.10 0.41 -0.09 0.00 0.03 0.00 0.00 46.19 46.43 1ge1 s LEU 79 CO 0.83 -0.47 0.99 -0.55 0.23 0.00 0.00 176.35 177.39 1ge1 s SER 80 N -2.06 7.25 0.62 2.29 0.15 -1.26 -1.10 113.70 119.58 1ge1 s SER 80 Ca -0.06 1.98 0.42 0.00 0.70 0.00 0.00 55.95 58.98 1ge1 s SER 80 Cb -0.02 -2.59 2.27 0.00 -1.71 0.00 0.00 66.02 63.96 1ge1 s SER 80 CO -0.04 -0.14 2.28 0.00 1.20 0.00 0.00 173.24 176.54 1ge1 h SER 82 N 0.00 0.29 0.23 0.00 0.87 -1.90 -1.18 113.55 111.85 1ge1 h SER 82 Ca 0.00 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1ge1 h SER 82 Cb 0.01 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1ge1 h SER 82 CO 0.00 0.29 -0.02 0.00 -0.53 0.00 0.00 176.83 176.56 1ge1 h ALA 83 N 1.76 1.14 -0.21 6.23 0.00 -1.37 -0.64 119.26 126.16 1ge1 h ALA 83 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ge1 h ALA 83 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ge1 h ALA 83 CO -0.01 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1ge1 n LEU 84 N -3.31 1.70 -0.37 0.00 4.77 -0.45 -3.64 117.00 115.71 1ge1 n LEU 84 Ca -0.02 -0.75 0.06 0.00 -0.03 0.00 0.00 56.01 55.26 1ge1 n LEU 84 Cb 0.14 -0.14 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 1ge1 n LEU 84 CO 0.24 0.38 0.59 0.18 -1.33 0.00 0.00 177.39 177.45 1ge1 n LEU 85 N 0.36 2.72 -4.86 2.23 4.77 -0.25 -3.28 117.00 118.70 1ge1 n LEU 85 Ca 0.15 -2.49 -0.31 0.00 -0.03 0.00 0.00 56.01 53.33 1ge1 n LEU 85 Cb 0.32 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1ge1 n LEU 85 CO 0.12 0.65 0.56 -1.10 -1.33 0.00 0.00 177.39 176.29 1ge1 s GLN 86 N -1.86 3.81 0.27 3.23 -0.21 -1.24 -4.65 119.66 119.01 1ge1 s GLN 86 Ca 0.23 0.67 0.02 0.00 0.02 0.00 0.00 55.36 56.30 1ge1 s GLN 86 Cb 0.17 -2.26 0.38 0.00 1.00 0.00 0.00 33.01 32.31 1ge1 s GLN 86 CO 0.06 -0.20 1.70 -0.44 -2.12 0.00 0.00 175.29 174.29 1ge1 h ASP 87 N 0.87 0.48 -3.13 5.90 5.19 -1.94 -3.40 116.42 120.39 1ge1 h ASP 87 Ca -0.47 -0.17 -0.58 0.00 -0.62 0.00 0.00 57.03 55.19 1ge1 h ASP 87 Cb 1.19 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.51 1ge1 h ASP 87 CO 0.63 0.75 0.79 0.21 -3.12 0.00 0.00 179.24 178.50 1ge1 s ASN 88 N -6.82 7.06 -0.04 6.45 3.84 -1.26 -4.90 114.94 119.27 1ge1 s ASN 88 Ca -0.07 1.31 0.10 0.00 0.21 0.00 0.00 52.86 54.41 1ge1 s ASN 88 Cb 0.13 -2.53 0.35 0.00 -0.55 0.00 0.00 41.25 38.65 1ge1 s ASN 88 CO 0.79 -0.69 1.22 2.30 -2.79 0.00 0.00 177.10 177.93 1ge1 n ILE 89 N 5.40 0.77 -0.08 -5.21 -5.35 -1.26 -4.43 119.36 109.20 1ge1 n ILE 89 Ca 0.12 -0.55 -0.07 0.00 -0.27 0.00 0.00 62.75 61.97 1ge1 n ILE 89 Cb 0.46 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1ge1 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ge1 h ALA 90 N 3.46 0.33 -0.48 -1.28 0.00 -1.95 0.13 119.26 119.47 1ge1 h ALA 90 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1ge1 h ALA 90 Cb 0.73 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ge1 h ALA 90 CO 0.08 -0.34 -0.11 -0.44 0.00 0.00 0.00 179.25 178.43 1ge1 h ASP 91 N 0.18 0.89 -0.62 0.00 3.45 -1.86 -0.89 116.42 117.56 1ge1 h ASP 91 Ca 0.14 -0.28 -0.07 0.00 0.43 0.00 0.00 57.03 57.26 1ge1 h ASP 91 Cb 0.15 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 1ge1 h ASP 91 CO -0.18 1.01 0.15 0.00 -1.57 0.00 0.00 179.24 178.65 1ge1 h ALA 92 N 1.07 1.03 -0.52 3.45 0.00 -1.65 -0.81 119.26 121.83 1ge1 h ALA 92 Ca 0.13 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1ge1 h ALA 92 Cb 0.64 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ge1 h ALA 92 CO 0.04 0.63 -0.02 0.28 0.00 0.00 0.00 179.25 180.18 1ge1 h VAL 93 N 0.98 1.27 -0.72 0.00 2.07 -0.52 0.11 116.25 119.43 1ge1 h VAL 93 Ca 0.20 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1ge1 h VAL 93 Cb 0.36 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1ge1 h VAL 93 CO 0.00 0.40 0.46 0.00 0.02 0.00 0.00 177.57 178.45 1ge1 h ALA 94 N 0.94 0.92 -0.34 1.67 0.00 -0.77 -0.32 119.26 121.36 1ge1 h ALA 94 Ca 0.15 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1ge1 h ALA 94 Cb 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ge1 h ALA 94 CO 0.03 0.36 -0.19 0.00 0.00 0.00 0.00 179.25 179.46 1ge1 h ALA 96 N 0.77 1.49 -0.63 0.00 0.00 -0.36 0.27 119.26 120.80 1ge1 h ALA 96 Ca 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1ge1 h ALA 96 Cb 0.73 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ge1 h ALA 96 CO 0.05 0.46 0.16 0.87 0.00 0.00 0.00 179.25 180.80 1ge1 h LYS 97 N 0.93 1.00 -0.78 0.00 1.57 -0.88 -2.22 116.57 116.19 1ge1 h LYS 97 Ca 0.25 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ge1 h LYS 97 Cb -0.09 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 1ge1 h LYS 97 CO -0.05 0.90 0.44 -0.09 -0.57 0.00 0.00 179.45 180.07 1ge1 h ARG 98 N 0.92 1.08 -0.24 3.15 9.65 -0.43 -2.47 114.38 126.04 1ge1 h ARG 98 Ca 0.20 -0.12 0.02 0.00 -1.10 0.00 0.00 59.98 58.97 1ge1 h ARG 98 Cb 0.34 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1ge1 h ARG 98 CO 0.00 0.80 0.11 0.28 2.80 0.00 0.00 179.97 183.95 1ge1 h VAL 99 N 1.08 0.98 0.00 0.20 2.07 -0.57 -2.69 116.25 117.31 1ge1 h VAL 99 Ca 0.28 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1ge1 h VAL 99 Cb 0.02 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ge1 h VAL 99 CO -0.05 0.04 0.00 1.33 0.02 0.00 0.00 177.57 178.92 1ge1 n VAL 100 N -5.00 0.36 0.63 2.57 0.24 -0.88 -2.39 118.33 113.86 1ge1 n VAL 100 Ca -0.02 0.09 0.12 0.00 -2.04 0.00 0.00 64.34 62.49 1ge1 n VAL 100 Cb 0.07 -0.72 0.46 0.00 -1.47 0.00 0.00 33.84 32.18 1ge1 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ge1 n ARG 101 N -1.35 0.15 -1.69 7.34 1.74 -0.96 -4.09 116.66 117.80 1ge1 n ARG 101 Ca 0.09 0.23 -0.29 0.00 -0.77 0.00 0.00 57.85 57.11 1ge1 n ARG 101 Cb 0.20 -1.71 0.11 0.00 -1.02 0.00 0.00 32.46 30.04 1ge1 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ge1 s ASP 102 N -3.88 4.13 0.27 0.55 -0.00 -1.01 -4.95 116.67 111.79 1ge1 s ASP 102 Ca 0.09 0.95 -0.02 0.00 -0.00 0.00 0.00 52.55 53.58 1ge1 s ASP 102 Cb 0.13 -1.53 0.61 0.00 -0.00 0.00 0.00 42.92 42.12 1ge1 s ASP 102 CO 0.48 -2.16 1.63 -0.65 -0.00 0.00 0.00 175.17 174.47 1ge1 h PRO 103 N -1.23 0.14 0.00 8.23 0.11 -1.88 -2.25 132.00 135.13 1ge1 h PRO 103 Ca -0.48 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1ge1 h PRO 103 Cb 1.32 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ge1 h PRO 103 CO 0.63 0.09 -0.14 1.96 -0.21 0.00 0.00 178.00 180.34 1ge1 h GLN 104 N 0.14 0.00 0.00 1.05 4.20 -1.90 -3.49 115.11 115.11 1ge1 h GLN 104 Ca 0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.21 1ge1 h GLN 104 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1ge1 h GLN 104 CO -0.69 0.14 0.00 0.41 -0.67 0.00 0.00 178.83 178.01 1ge1 n GLY 105 N -0.04 2.12 0.33 3.46 0.00 -0.85 -2.03 105.19 108.19 1ge1 n GLY 105 Ca -0.00 -0.51 0.20 0.00 0.00 0.00 0.00 46.02 45.71 1ge1 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ge1 h ILE 106 N 0.00 0.16 0.00 -0.61 6.09 -1.92 -1.54 117.51 119.69 1ge1 h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1ge1 h ILE 106 Cb 0.00 0.92 0.00 0.00 0.47 0.00 0.00 36.82 38.21 1ge1 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1ge1 n ARG 107 N -3.29 0.03 -0.13 2.19 1.74 -0.86 -2.76 116.66 113.58 1ge1 n ARG 107 Ca -0.02 0.30 0.15 0.00 -0.77 0.00 0.00 57.85 57.51 1ge1 n ARG 107 Cb 0.16 -1.50 0.52 0.00 -1.02 0.00 0.00 32.46 30.62 1ge1 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ge1 h ALA 108 N 2.37 2.13 -2.44 7.54 0.00 -1.44 -3.37 119.26 124.05 1ge1 h ALA 108 Ca 0.00 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 1ge1 h ALA 108 Cb 0.16 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.74 1ge1 h ALA 108 CO 0.00 -0.31 -0.02 -1.58 0.00 0.00 0.00 179.25 177.33 1ge1 s TRP 109 N -5.37 3.18 0.41 0.00 0.51 -1.11 -4.94 118.94 111.62 1ge1 s TRP 109 Ca -0.08 0.24 0.08 0.00 -2.12 0.00 0.00 56.10 54.23 1ge1 s TRP 109 Cb 0.21 -2.93 0.87 0.00 -0.81 0.00 0.00 33.47 30.81 1ge1 s TRP 109 CO 0.76 -0.53 2.02 0.28 -0.51 0.00 0.00 176.95 178.98 1ge1 h VAL 110 N 5.60 1.05 -0.33 4.03 2.07 -1.90 -0.86 116.25 125.91 1ge1 h VAL 110 Ca -0.28 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1ge1 h VAL 110 Cb 1.12 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1ge1 h VAL 110 CO 0.77 0.10 0.22 0.00 0.02 0.00 0.00 177.57 178.69 1ge1 h ALA 111 N 1.71 1.80 -0.49 1.67 0.00 -1.93 -0.68 119.26 121.33 1ge1 h ALA 111 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1ge1 h ALA 111 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ge1 h ALA 111 CO -0.05 0.18 -0.04 2.35 0.00 0.00 0.00 179.25 181.69 1ge1 h TRP 112 N 0.42 0.98 -0.57 0.00 7.01 -1.47 0.16 115.95 122.48 1ge1 h TRP 112 Ca 0.13 -0.18 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 1ge1 h TRP 112 Cb -0.00 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.78 1ge1 h TRP 112 CO -0.00 0.93 0.29 0.00 -2.79 0.00 0.00 178.44 176.87 1ge1 h ARG 113 N 0.75 0.82 -0.17 2.65 3.08 -1.16 0.40 114.38 120.75 1ge1 h ARG 113 Ca 0.13 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1ge1 h ARG 113 Cb 0.57 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ge1 h ARG 113 CO 0.03 0.65 -0.17 -0.91 -1.07 0.00 0.00 179.97 178.50 1ge1 h ASN 114 N 0.78 0.45 -0.01 7.04 2.35 -0.93 -3.35 115.58 121.90 1ge1 h ASN 114 Ca 0.20 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1ge1 h ASN 114 Cb 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1ge1 h ASN 114 CO -0.03 0.84 -0.30 0.54 -1.65 0.00 0.00 177.43 176.83 1ge1 n ARG 115 N -4.50 2.57 0.00 0.81 5.12 0.55 -4.83 116.66 116.38 1ge1 n ARG 115 Ca -0.06 -0.42 0.00 0.00 -1.93 0.00 0.00 57.85 55.44 1ge1 n ARG 115 Cb 0.38 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.62 1ge1 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ge1 n GLN 117 N -1.78 2.75 -2.97 0.00 7.27 0.39 -2.35 117.38 120.70 1ge1 n GLN 117 Ca 0.00 0.99 -0.21 0.00 0.07 0.00 0.00 57.00 57.85 1ge1 n GLN 117 Cb 0.32 -2.83 0.01 0.00 2.41 0.00 0.00 30.24 30.16 1ge1 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ge1 n ASN 118 N 3.75 -4.91 -4.58 1.69 5.03 -1.26 -4.96 115.26 110.02 1ge1 n ASN 118 Ca 0.15 -0.21 -0.24 0.00 0.87 0.00 0.00 54.58 55.15 1ge1 n ASN 118 Cb 0.35 -4.04 -0.09 0.00 -1.02 0.00 0.00 39.78 34.98 1ge1 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ge1 s ARG 119 N -5.62 1.98 -0.61 3.52 1.81 -0.99 -5.07 118.95 113.97 1ge1 s ARG 119 Ca 0.25 -1.72 -0.24 0.00 -1.72 0.00 0.00 55.73 52.30 1ge1 s ARG 119 Cb -0.12 -1.90 0.05 0.00 -0.45 0.00 0.00 34.95 32.52 1ge1 s ARG 119 CO 0.31 0.23 1.02 0.34 -0.68 0.00 0.00 175.30 176.52 1ge1 s ASP 120 N -3.64 6.27 -0.11 0.23 -1.08 -1.26 -4.87 116.67 112.20 1ge1 s ASP 120 Ca 0.33 -0.51 0.17 0.00 -0.52 0.00 0.00 52.55 52.01 1ge1 s ASP 120 Cb -0.02 -2.46 0.65 0.00 -1.46 0.00 0.00 42.92 39.63 1ge1 s ASP 120 CO 0.18 -1.41 1.56 1.33 0.52 0.00 0.00 175.17 177.35 1ge1 n VAL 121 N 6.19 1.85 -0.36 1.11 0.24 -1.26 -4.59 118.33 121.51 1ge1 n VAL 121 Ca 0.01 -1.28 0.06 0.00 -2.04 0.00 0.00 64.34 61.08 1ge1 n VAL 121 Cb 0.47 0.10 0.22 0.00 -1.47 0.00 0.00 33.84 33.17 1ge1 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ge1 h ARG 122 N 3.52 1.02 -0.29 7.34 3.08 -1.94 -2.10 114.38 125.01 1ge1 h ARG 122 Ca 0.00 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.07 1ge1 h ARG 122 Cb 1.39 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1ge1 h ARG 122 CO 0.22 0.68 0.38 -0.56 -1.07 0.00 0.00 179.97 179.61 1ge1 h GLN 123 N 1.05 0.00 0.00 0.04 3.07 -1.97 -1.71 115.11 115.59 1ge1 h GLN 123 Ca 0.47 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.14 1ge1 h GLN 123 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.93 1ge1 h GLN 123 CO -0.23 0.00 -0.35 1.88 0.09 0.00 0.00 178.83 180.22 1ge1 h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.72 -3.30 116.97 112.05 1ge1 h TYR 124 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1ge1 h TYR 124 Cb 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 1ge1 h TYR 124 CO 0.00 0.35 0.00 1.33 -1.05 0.00 0.00 178.16 178.79 1ge1 n VAL 125 N -3.65 0.10 -1.99 -2.88 0.24 -0.67 -4.79 118.33 104.69 1ge1 n VAL 125 Ca -0.01 -0.55 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 1ge1 n VAL 125 Cb 0.46 0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 33.80 1ge1 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ge1 s GLN 126 N -0.27 4.25 0.00 7.34 -1.52 -1.01 -2.45 119.66 126.00 1ge1 s GLN 126 Ca 0.03 2.31 0.00 0.00 -1.95 0.00 0.00 55.36 55.75 1ge1 s GLN 126 Cb 0.02 -3.14 0.00 0.00 -0.22 0.00 0.00 33.01 29.67 1ge1 s GLN 126 CO 0.03 -0.51 0.00 0.41 -0.25 0.00 0.00 175.29 174.96 1ge1 n GLY 127 N 3.07 0.81 0.14 3.09 0.00 -1.26 -4.89 105.19 106.14 1ge1 n GLY 127 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1ge1 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ge1 n GLY 129 N 1.38 0.09 0.16 0.00 0.00 -1.26 -4.79 105.19 100.78 1ge1 n GLY 129 Ca 0.10 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.71 1ge1 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65