#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1re2 s VAL 2 N 0.00 3.58 0.87 0.58 1.01 -1.25 -1.14 120.40 124.04 1re2 s VAL 2 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1re2 s VAL 2 Cb 0.00 -2.66 0.11 0.00 0.00 0.00 0.00 36.38 33.83 1re2 s VAL 2 CO 0.00 0.38 1.16 -0.36 0.00 0.00 0.00 175.10 176.28 1re2 s PHE 3 N 1.50 2.68 -0.02 5.22 0.40 0.26 -4.99 117.98 123.03 1re2 s PHE 3 Ca 0.06 0.79 0.01 0.00 -0.60 0.00 0.00 56.93 57.18 1re2 s PHE 3 Cb -0.15 -3.46 -0.03 0.00 0.51 0.00 0.00 43.02 39.89 1re2 s PHE 3 CO -0.02 -2.10 -0.01 -1.21 0.70 0.00 0.00 175.22 172.58 1re2 s GLU 4 N -5.44 2.81 0.06 0.44 2.02 -1.26 -4.85 118.70 112.47 1re2 s GLU 4 Ca 0.63 -0.57 -0.11 0.00 0.02 0.00 0.00 54.97 54.94 1re2 s GLU 4 Cb -0.13 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.40 1re2 s GLU 4 CO 0.51 0.64 0.74 -2.13 0.02 0.00 0.00 175.26 175.05 1re2 n ARG 5 N 1.62 -0.16 0.26 1.61 0.63 -1.26 -0.90 116.66 118.47 1re2 n ARG 5 Ca -0.16 0.73 0.15 0.00 -0.92 0.00 0.00 57.85 57.65 1re2 n ARG 5 Cb 0.53 -1.08 0.69 0.00 0.45 0.00 0.00 32.46 33.04 1re2 n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1re2 h GLU 7 N 0.00 0.59 -0.55 0.00 4.81 -1.42 -3.00 114.58 115.01 1re2 h GLU 7 Ca -0.00 -0.38 -0.10 0.00 -0.13 0.00 0.00 59.36 58.75 1re2 h GLU 7 Cb 0.49 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1re2 h GLU 7 CO 0.01 1.00 -0.04 1.25 -0.73 0.00 0.00 179.01 180.50 1re2 h LEU 8 N 0.26 0.96 -0.23 1.64 5.85 -1.15 -0.85 115.31 121.79 1re2 h LEU 8 Ca 0.01 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1re2 h LEU 8 Cb 0.98 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1re2 h LEU 8 CO 0.08 1.04 0.06 0.00 -0.34 0.00 0.00 178.44 179.28 1re2 h ALA 9 N 1.05 0.25 -0.45 1.25 0.00 -1.29 -1.02 119.26 119.04 1re2 h ALA 9 Ca 0.16 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1re2 h ALA 9 Cb 0.57 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1re2 h ALA 9 CO 0.03 -0.36 -0.26 0.00 0.00 0.00 0.00 179.25 178.67 1re2 h ARG 10 N 0.16 0.96 -0.33 0.00 3.08 -1.41 -2.01 114.38 114.83 1re2 h ARG 10 Ca 0.10 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 1re2 h ARG 10 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1re2 h ARG 10 CO -0.12 1.10 0.14 1.15 -1.07 0.00 0.00 179.97 181.16 1re2 h THR 11 N 0.82 1.18 -0.09 2.04 2.02 -1.01 -0.47 112.91 117.39 1re2 h THR 11 Ca 0.10 -0.55 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 1re2 h THR 11 Cb 0.83 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1re2 h THR 11 CO 0.07 0.19 -0.40 -0.07 0.37 0.00 0.00 175.52 175.69 1re2 h LEU 12 N 0.39 0.21 -0.46 2.58 3.38 -1.20 -2.24 115.31 117.98 1re2 h LEU 12 Ca 0.11 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1re2 h LEU 12 Cb 0.18 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1re2 h LEU 12 CO -0.01 0.59 0.28 0.50 0.09 0.00 0.00 178.44 179.89 1re2 h LYS 13 N 0.17 0.54 0.00 1.13 1.63 -0.81 -0.96 116.57 118.27 1re2 h LYS 13 Ca 0.02 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 1re2 h LYS 13 Cb 0.78 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 1re2 h LYS 13 CO 0.06 0.36 -0.30 0.00 -3.45 0.00 0.00 179.45 176.12 1re2 h ARG 14 N 0.56 0.00 -0.08 1.90 3.08 -0.72 -2.34 114.38 116.78 1re2 h ARG 14 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1re2 h ARG 14 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1re2 h ARG 14 CO -0.08 0.30 0.00 1.28 -1.07 0.00 0.00 179.97 180.40 1re2 n LEU 15 N -4.03 1.07 -0.48 3.04 4.77 -0.51 -4.92 117.00 115.94 1re2 n LEU 15 Ca -0.02 -0.42 -0.02 0.00 -0.03 0.00 0.00 56.01 55.52 1re2 n LEU 15 Cb 0.36 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1re2 n LEU 15 CO 0.37 0.21 -0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1re2 n GLY 16 N 1.05 0.53 0.13 -0.72 0.00 -0.63 -4.98 105.19 100.58 1re2 n GLY 16 Ca 0.17 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.60 1re2 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1re2 h MET 17 N -0.12 0.00 -6.23 1.61 2.86 -1.42 -3.38 114.93 108.26 1re2 h MET 17 Ca -0.05 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.06 1re2 h MET 17 Cb 1.03 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.62 1re2 h MET 17 CO 0.05 0.00 1.16 0.34 1.06 0.00 0.00 176.91 179.52 1re2 s ASP 18 N -5.22 5.96 0.00 1.22 2.15 -1.26 -2.72 116.67 116.79 1re2 s ASP 18 Ca 0.05 -0.38 0.00 0.00 0.43 0.00 0.00 52.55 52.66 1re2 s ASP 18 Cb 0.09 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1re2 s ASP 18 CO 0.70 -1.96 0.00 0.61 -0.17 0.00 0.00 175.17 174.35 1re2 n GLY 19 N 5.65 0.54 3.52 2.66 0.00 0.71 -4.85 105.19 113.43 1re2 n GLY 19 Ca 0.11 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.65 1re2 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1re2 n TYR 20 N -2.00 1.81 -3.45 1.61 9.36 -1.10 -0.39 117.16 123.00 1re2 n TYR 20 Ca 0.00 0.13 -0.25 0.00 3.32 0.00 0.00 57.90 61.10 1re2 n TYR 20 Cb 0.00 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.11 1re2 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1re2 n ARG 21 N 8.09 -3.69 -0.78 2.98 1.74 -1.26 -1.31 116.66 122.43 1re2 n ARG 21 Ca 0.35 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1re2 n ARG 21 Cb 0.30 -5.25 0.00 0.00 -1.02 0.00 0.00 32.46 26.49 1re2 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1re2 n GLY 22 N -1.26 0.59 3.38 -0.13 0.00 0.48 -5.03 105.19 103.21 1re2 n GLY 22 Ca -0.01 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1re2 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1re2 s ILE 23 N -2.00 4.46 0.68 -0.61 1.01 -0.42 -4.92 121.20 119.40 1re2 s ILE 23 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 1re2 s ILE 23 Cb 0.00 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 39.06 1re2 s ILE 23 CO 0.00 -0.13 1.12 -0.94 0.00 0.00 0.00 174.94 175.00 1re2 s SER 24 N 1.55 4.89 0.30 3.58 1.04 -1.26 -0.21 113.70 123.59 1re2 s SER 24 Ca 0.02 2.04 0.03 0.00 0.48 0.00 0.00 55.95 58.53 1re2 s SER 24 Cb -0.18 -2.55 0.61 0.00 0.10 0.00 0.00 66.02 63.99 1re2 s SER 24 CO 0.06 -1.78 1.85 0.25 0.98 0.00 0.00 173.24 174.59 1re2 h LEU 25 N -0.14 0.87 -1.09 2.42 5.85 -1.89 -1.63 115.31 119.70 1re2 h LEU 25 Ca -0.47 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1re2 h LEU 25 Cb 1.25 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1re2 h LEU 25 CO 0.53 0.46 0.35 0.00 -0.34 0.00 0.00 178.44 179.44 1re2 h ALA 26 N 1.55 1.29 -0.55 1.25 0.00 -1.91 -0.84 119.26 120.06 1re2 h ALA 26 Ca 0.48 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1re2 h ALA 26 Cb 0.52 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1re2 h ALA 26 CO -0.25 0.55 0.17 -0.91 0.00 0.00 0.00 179.25 178.82 1re2 h ASN 27 N 0.99 0.80 -0.61 0.00 2.35 -1.61 -0.14 115.58 117.35 1re2 h ASN 27 Ca 0.24 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 1re2 h ASN 27 Cb 0.08 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1re2 h ASN 27 CO -0.03 0.79 0.01 -0.50 -1.65 0.00 0.00 177.43 176.05 1re2 h TRP 28 N 0.76 1.18 -0.72 1.19 4.06 -1.33 -1.82 115.95 119.27 1re2 h TRP 28 Ca 0.18 -0.20 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1re2 h TRP 28 Cb 0.28 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.10 1re2 h TRP 28 CO 0.02 1.03 0.34 0.52 -3.56 0.00 0.00 178.44 176.78 1re2 h MET 29 N 0.99 1.04 0.06 0.49 2.86 -0.89 -1.43 114.93 118.05 1re2 h MET 29 Ca 0.18 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1re2 h MET 29 Cb 0.55 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1re2 h MET 29 CO 0.03 0.82 -0.03 0.00 1.06 0.00 0.00 176.91 178.79 1re2 h LEU 31 N -0.25 0.00 -0.13 0.00 8.10 -1.29 -2.43 115.31 119.32 1re2 h LEU 31 Ca -0.01 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.74 1re2 h LEU 31 Cb 0.22 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.45 1re2 h LEU 31 CO 0.01 0.10 -0.94 0.00 -4.11 0.00 0.00 178.44 173.50 1re2 h ALA 32 N 1.90 0.29 -0.16 0.17 0.00 -1.14 -1.75 119.26 118.57 1re2 h ALA 32 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1re2 h ALA 32 Cb 0.61 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1re2 h ALA 32 CO 0.01 0.75 0.03 -0.22 0.00 0.00 0.00 179.25 179.82 1re2 h LYS 33 N 0.33 0.26 0.06 0.00 1.63 -1.12 -1.40 116.57 116.33 1re2 h LYS 33 Ca -0.09 -0.07 -0.24 0.00 -0.85 0.00 0.00 60.65 59.40 1re2 h LYS 33 Cb 1.58 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.17 1re2 h LYS 33 CO 0.18 0.43 -1.09 -1.49 -3.45 0.00 0.00 179.45 174.02 1re2 h TRP 34 N 0.05 0.28 -0.01 1.91 4.06 -1.54 0.12 115.95 120.81 1re2 h TRP 34 Ca 0.05 -0.20 -0.07 0.00 2.06 0.00 0.00 58.89 60.74 1re2 h TRP 34 Cb 0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1re2 h TRP 34 CO 0.02 1.13 -0.25 0.93 -3.56 0.00 0.00 178.44 176.70 1re2 h GLU 35 N 0.05 0.19 0.00 0.49 4.39 -1.38 -3.42 114.58 114.89 1re2 h GLU 35 Ca -0.07 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1re2 h GLU 35 Cb 1.82 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.52 1re2 h GLU 35 CO 0.16 0.90 -0.21 -1.13 -1.16 0.00 0.00 179.01 177.57 1re2 n SER 36 N -4.51 1.07 -1.58 1.42 3.41 -0.60 -4.88 113.62 107.96 1re2 n SER 36 Ca -0.09 -0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.13 1re2 n SER 36 Cb 0.49 0.76 0.01 0.00 -0.26 0.00 0.00 64.21 65.21 1re2 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1re2 n GLY 37 N 1.08 -0.01 2.29 5.00 0.00 0.40 -2.79 105.19 111.16 1re2 n GLY 37 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1re2 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1re2 n TYR 38 N -3.96 -0.65 -4.13 1.61 4.01 -1.19 -4.78 117.16 108.07 1re2 n TYR 38 Ca -0.09 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.31 1re2 n TYR 38 Cb 0.58 -3.06 -0.14 0.00 -0.31 0.00 0.00 39.34 36.42 1re2 n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1re2 s ASN 39 N -2.37 4.42 0.19 7.72 3.84 -1.12 -0.58 114.94 127.04 1re2 s ASN 39 Ca 0.00 -0.31 0.25 0.00 0.21 0.00 0.00 52.86 53.00 1re2 s ASN 39 Cb 0.00 -1.74 0.90 0.00 -0.55 0.00 0.00 41.25 39.86 1re2 s ASN 39 CO 0.00 0.05 1.75 0.35 -2.79 0.00 0.00 177.10 176.46 1re2 n THR 40 N 4.35 0.64 1.02 -5.21 -2.24 -0.30 -2.49 114.28 110.06 1re2 n THR 40 Ca -0.18 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1re2 n THR 40 Cb 0.51 -0.80 0.02 0.00 -2.10 0.00 0.00 70.33 67.96 1re2 n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1re2 n ARG 41 N -2.13 1.06 -1.48 -0.78 5.12 -1.26 -3.92 116.66 113.27 1re2 n ARG 41 Ca 0.04 -0.86 -0.40 0.00 -1.93 0.00 0.00 57.85 54.70 1re2 n ARG 41 Cb 0.34 -1.48 0.02 0.00 -1.16 0.00 0.00 32.46 30.18 1re2 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1re2 n ALA 42 N -0.22 -1.12 -3.65 7.54 0.00 -1.22 -4.66 120.51 117.18 1re2 n ALA 42 Ca 0.09 0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.54 1re2 n ALA 42 Cb 0.45 -1.84 -0.08 0.00 0.00 0.00 0.00 19.45 17.98 1re2 n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1re2 s THR 43 N -1.57 -0.08 -0.07 0.00 2.01 -1.26 0.17 115.64 114.85 1re2 s THR 43 Ca 0.66 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.68 1re2 s THR 43 Cb -0.52 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.09 1re2 s THR 43 CO 0.56 0.01 -0.06 0.20 -0.69 0.00 0.00 174.62 174.64 1re2 s ASN 44 N 1.70 1.53 -0.19 3.53 0.02 -0.42 -4.96 114.94 116.16 1re2 s ASN 44 Ca -0.10 -0.19 -0.08 0.00 -1.02 0.00 0.00 52.86 51.47 1re2 s ASN 44 Cb -0.06 -0.61 -0.04 0.00 0.02 0.00 0.00 41.25 40.55 1re2 s ASN 44 CO -0.19 -0.08 0.08 -0.47 0.02 0.00 0.00 177.10 176.46 1re2 s TYR 45 N 1.28 3.29 -0.47 2.20 5.04 -1.26 0.12 117.35 127.53 1re2 s TYR 45 Ca -0.05 0.13 -0.14 0.00 -2.44 0.00 0.00 57.07 54.57 1re2 s TYR 45 Cb -0.14 -2.10 0.09 0.00 0.35 0.00 0.00 41.96 40.16 1re2 s TYR 45 CO -0.02 0.18 0.38 1.21 -1.34 0.00 0.00 175.55 175.96 1re2 s ASN 46 N 0.38 6.02 0.55 4.32 3.84 0.20 -4.95 114.94 125.31 1re2 s ASN 46 Ca 0.04 -1.49 0.24 0.00 0.21 0.00 0.00 52.86 51.86 1re2 s ASN 46 Cb -0.12 -2.14 1.48 0.00 -0.55 0.00 0.00 41.25 39.92 1re2 s ASN 46 CO -0.00 -0.67 2.08 0.00 -2.79 0.00 0.00 177.10 175.72 1re2 h ALA 47 N 8.69 2.09 0.44 1.71 0.00 -1.96 -2.15 119.26 128.07 1re2 h ALA 47 Ca -0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1re2 h ALA 47 Cb 1.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1re2 h ALA 47 CO 0.88 -0.34 -0.21 0.78 0.00 0.00 0.00 179.25 180.36 1re2 h GLY 48 N 0.00 -0.61 -2.94 0.00 0.00 -1.95 -3.31 103.07 94.25 1re2 h GLY 48 Ca 0.12 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 1re2 h GLY 48 CO -0.00 -0.22 0.01 2.09 0.00 0.00 0.00 176.54 178.41 1re2 n ASP 49 N -4.50 4.57 -3.52 0.19 5.75 -1.23 -4.92 116.55 112.89 1re2 n ASP 49 Ca -0.07 -2.71 -0.24 0.00 -0.01 0.00 0.00 54.79 51.75 1re2 n ASP 49 Cb 0.23 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.65 1re2 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1re2 n ARG 50 N 0.45 -2.54 -3.99 0.11 1.74 -0.82 -4.76 116.66 106.86 1re2 n ARG 50 Ca 0.21 0.27 -0.23 0.00 -0.77 0.00 0.00 57.85 57.34 1re2 n ARG 50 Cb 0.98 -4.90 -0.06 0.00 -1.02 0.00 0.00 32.46 27.46 1re2 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1re2 s SER 51 N -2.72 4.78 -0.02 0.55 1.04 -1.14 -4.48 113.70 111.71 1re2 s SER 51 Ca 0.44 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 56.11 1re2 s SER 51 Cb -0.25 -0.71 0.01 0.00 0.10 0.00 0.00 66.02 65.18 1re2 s SER 51 CO 0.54 -0.39 -0.03 -0.89 0.98 0.00 0.00 173.24 173.45 1re2 s THR 52 N -2.44 0.31 -0.11 2.02 2.01 -1.26 -0.63 115.64 115.55 1re2 s THR 52 Ca 0.40 -0.08 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 1re2 s THR 52 Cb -0.02 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 1re2 s THR 52 CO 0.24 0.13 0.42 -1.81 -0.69 0.00 0.00 174.62 172.91 1re2 s ASP 53 N 0.42 6.65 0.03 3.53 1.11 0.12 -1.46 116.67 127.06 1re2 s ASP 53 Ca -0.04 0.77 0.08 0.00 0.18 0.00 0.00 52.55 53.53 1re2 s ASP 53 Cb -0.08 -2.26 -0.03 0.00 1.07 0.00 0.00 42.92 41.63 1re2 s ASP 53 CO -0.01 0.08 -0.22 -0.31 1.18 0.00 0.00 175.17 175.89 1re2 s TYR 54 N 0.30 2.45 0.00 4.23 2.02 -0.59 -1.30 117.35 124.46 1re2 s TYR 54 Ca 0.23 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 1re2 s TYR 54 Cb -0.15 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1re2 s TYR 54 CO 0.09 0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 1re2 n GLY 55 N 1.82 -0.37 0.33 0.71 0.00 0.13 -2.31 105.19 105.49 1re2 n GLY 55 Ca -0.17 -0.95 0.16 0.00 0.00 0.00 0.00 46.02 45.07 1re2 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1re2 h ILE 56 N 0.00 0.45 -0.17 -0.61 2.10 -1.62 -0.31 117.51 117.36 1re2 h ILE 56 Ca 0.00 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.79 1re2 h ILE 56 Cb 0.00 -0.02 0.00 0.00 -1.09 0.00 0.00 36.82 35.71 1re2 h ILE 56 CO 0.00 0.08 0.00 0.49 -1.08 0.00 0.00 178.15 177.64 1re2 n PHE 57 N -5.01 0.19 -3.62 2.19 3.72 -1.26 -3.69 117.46 109.98 1re2 n PHE 57 Ca 0.25 -0.10 -0.26 0.00 -0.05 0.00 0.00 57.45 57.29 1re2 n PHE 57 Cb 0.74 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.31 1re2 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1re2 n GLN 58 N 1.40 -1.26 -3.11 -1.08 1.13 -0.13 -4.94 117.38 109.40 1re2 n GLN 58 Ca 0.16 0.64 -0.39 0.00 -1.94 0.00 0.00 57.00 55.47 1re2 n GLN 58 Cb 0.60 -4.04 -0.05 0.00 0.11 0.00 0.00 30.24 26.86 1re2 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1re2 s ILE 59 N -3.33 4.86 0.20 5.09 1.01 -0.98 -4.58 121.20 123.47 1re2 s ILE 59 Ca 0.34 1.40 -0.30 0.00 0.00 0.00 0.00 60.65 62.10 1re2 s ILE 59 Cb -0.12 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 1re2 s ILE 59 CO 0.85 0.38 1.09 0.21 0.00 0.00 0.00 174.94 177.47 1re2 s ASN 60 N -0.03 7.30 0.09 3.58 3.84 -1.26 -1.54 114.94 126.92 1re2 s ASN 60 Ca 0.34 2.10 0.22 0.00 0.21 0.00 0.00 52.86 55.73 1re2 s ASN 60 Cb -0.19 -2.61 0.89 0.00 -0.55 0.00 0.00 41.25 38.79 1re2 s ASN 60 CO 0.19 -0.18 1.68 -1.54 -2.79 0.00 0.00 177.10 174.47 1re2 n SER 61 N 2.15 0.28 0.03 -4.21 3.41 -0.53 -1.44 113.62 113.30 1re2 n SER 61 Ca 0.02 0.55 -0.05 0.00 -0.26 0.00 0.00 58.87 59.12 1re2 n SER 61 Cb 0.46 -0.62 -0.11 0.00 -0.26 0.00 0.00 64.21 63.69 1re2 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1re2 h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.85 -3.42 114.38 115.87 1re2 h ARG 62 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1re2 h ARG 62 Cb 0.41 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1re2 h ARG 62 CO 0.00 0.61 -1.38 0.66 -1.51 0.00 0.00 179.97 178.35 1re2 n TYR 63 N -3.13 0.00 -0.07 2.20 4.01 -1.19 -2.19 117.16 116.79 1re2 n TYR 63 Ca -0.08 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.50 1re2 n TYR 63 Cb 0.95 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 39.66 1re2 n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1re2 n TRP 64 N -2.36 0.00 -4.48 -0.72 7.02 -0.52 -2.04 117.44 114.34 1re2 n TRP 64 Ca -0.10 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.10 1re2 n TRP 64 Cb 0.66 -0.54 -0.08 0.00 -2.42 0.00 0.00 31.31 28.93 1re2 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1re2 s ASN 66 N -3.85 3.59 0.00 0.00 3.04 -0.20 -4.50 114.94 113.01 1re2 s ASN 66 Ca 0.28 -0.45 0.00 0.00 0.04 0.00 0.00 52.86 52.73 1re2 s ASN 66 Cb 0.05 -1.53 0.00 0.00 -1.54 0.00 0.00 41.25 38.24 1re2 s ASN 66 CO 0.15 0.14 0.62 -0.90 -3.04 0.00 0.00 177.10 174.08 1re2 n ASP 67 N 3.65 1.20 -0.32 -4.21 5.75 -1.26 -1.64 116.55 119.72 1re2 n ASP 67 Ca -0.19 -1.32 -0.04 0.00 -0.01 0.00 0.00 54.79 53.23 1re2 n ASP 67 Cb 0.53 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 1re2 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1re2 n GLY 68 N -0.16 0.51 0.00 6.12 0.00 -1.26 -4.77 105.19 105.62 1re2 n GLY 68 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1re2 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1re2 n LYS 69 N -0.65 0.17 -3.58 1.61 2.85 -1.26 -5.03 118.16 112.27 1re2 n LYS 69 Ca -0.04 -0.41 -0.40 0.00 -1.05 0.00 0.00 58.31 56.41 1re2 n LYS 69 Cb 0.41 -0.56 -0.11 0.00 -0.65 0.00 0.00 35.03 34.13 1re2 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1re2 s THR 70 N -0.07 4.96 -0.13 0.58 2.01 -1.26 -4.96 115.64 116.77 1re2 s THR 70 Ca 0.00 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.31 1re2 s THR 70 Cb 0.00 -3.58 -0.07 0.00 0.01 0.00 0.00 72.50 68.86 1re2 s THR 70 CO 0.00 -0.03 2.13 -2.65 -0.69 0.00 0.00 174.62 173.38 1re2 n PRO 71 N 5.05 2.25 -0.70 4.92 -0.02 -1.26 -2.80 135.00 142.44 1re2 n PRO 71 Ca -0.13 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1re2 n PRO 71 Cb 0.49 -3.13 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 1re2 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1re2 n GLY 72 N 5.35 1.12 3.73 -1.23 0.00 -1.26 -5.02 105.19 107.87 1re2 n GLY 72 Ca 0.27 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1re2 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1re2 s ALA 73 N -2.00 3.31 -0.16 4.61 0.00 -1.12 -4.83 121.76 121.57 1re2 s ALA 73 Ca 0.00 0.73 0.16 0.00 0.00 0.00 0.00 51.96 52.84 1re2 s ALA 73 Cb 0.00 -3.36 -0.23 0.00 0.00 0.00 0.00 23.12 19.53 1re2 s ALA 73 CO 0.00 -0.23 0.41 1.33 0.00 0.00 0.00 175.76 177.27 1re2 n VAL 74 N 3.07 0.00 -3.55 0.00 0.24 -0.93 -5.02 118.33 112.14 1re2 n VAL 74 Ca 0.05 -0.32 -0.25 0.00 -2.04 0.00 0.00 64.34 61.78 1re2 n VAL 74 Cb 0.48 0.31 0.05 0.00 -1.47 0.00 0.00 33.84 33.21 1re2 n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1re2 n ASN 75 N -1.91 -5.12 0.19 -1.34 5.15 -1.24 -4.90 115.26 106.09 1re2 n ASN 75 Ca -0.02 -0.89 0.04 0.00 -0.60 0.00 0.00 54.58 53.11 1re2 n ASN 75 Cb 0.38 -4.05 0.47 0.00 -0.53 0.00 0.00 39.78 36.05 1re2 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1re2 h ALA 76 N 0.54 1.65 -0.00 5.20 0.00 -1.18 -1.61 119.26 123.86 1re2 h ALA 76 Ca -0.64 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1re2 h ALA 76 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1re2 h ALA 76 CO 0.48 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.97 1re2 n HIS 78 N -1.37 -1.82 -4.17 0.00 -0.00 -0.61 -4.97 115.22 102.29 1re2 n HIS 78 Ca 0.11 0.73 -0.10 0.00 -0.00 0.00 0.00 57.72 58.45 1re2 n HIS 78 Cb 0.29 -3.95 -0.10 0.00 -0.00 0.00 0.00 29.99 26.23 1re2 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1re2 s LEU 79 N -6.72 2.07 -0.08 2.41 1.43 -1.26 -5.08 118.68 111.45 1re2 s LEU 79 Ca 0.10 -1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 51.92 1re2 s LEU 79 Cb -0.03 0.15 -0.05 0.00 0.03 0.00 0.00 46.19 46.28 1re2 s LEU 79 CO 0.85 -0.64 0.36 -0.55 0.23 0.00 0.00 176.35 176.60 1re2 s SER 80 N -3.06 6.64 0.31 2.29 0.15 -1.26 -1.03 113.70 117.74 1re2 s SER 80 Ca 0.20 0.76 0.21 0.00 0.70 0.00 0.00 55.95 57.82 1re2 s SER 80 Cb 0.07 -2.22 1.13 0.00 -1.71 0.00 0.00 66.02 63.29 1re2 s SER 80 CO -0.00 0.21 1.65 0.00 1.20 0.00 0.00 173.24 176.30 1re2 h SER 82 N 0.00 1.01 0.00 0.00 0.87 -1.92 -1.66 113.55 111.86 1re2 h SER 82 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1re2 h SER 82 Cb 0.02 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1re2 h SER 82 CO 0.00 0.92 0.01 0.00 -0.53 0.00 0.00 176.83 177.23 1re2 h ALA 83 N 1.13 1.00 -0.04 6.23 0.00 -1.20 0.13 119.26 126.51 1re2 h ALA 83 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1re2 h ALA 83 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1re2 h ALA 83 CO -0.02 -0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1re2 n LEU 84 N -2.72 1.55 -0.02 0.00 4.77 -0.62 -4.00 117.00 115.96 1re2 n LEU 84 Ca -0.02 -0.54 0.03 0.00 -0.03 0.00 0.00 56.01 55.44 1re2 n LEU 84 Cb 0.06 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1re2 n LEU 84 CO 0.15 0.27 0.51 0.18 -1.33 0.00 0.00 177.39 177.18 1re2 n LEU 85 N 0.22 2.04 -4.93 2.23 4.77 0.03 -3.43 117.00 117.93 1re2 n LEU 85 Ca 0.18 -2.25 -0.28 0.00 -0.03 0.00 0.00 56.01 53.63 1re2 n LEU 85 Cb 0.35 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1re2 n LEU 85 CO 0.16 0.55 -0.04 0.00 -1.33 0.00 0.00 177.39 176.72 1re2 s GLN 86 N -1.48 3.50 0.59 3.23 -2.07 -1.24 -4.64 119.66 117.54 1re2 s GLN 86 Ca 0.09 -0.39 0.32 0.00 -1.82 0.00 0.00 55.36 53.55 1re2 s GLN 86 Cb 0.08 -2.91 1.83 0.00 -1.09 0.00 0.00 33.01 30.91 1re2 s GLN 86 CO 0.01 0.48 2.23 -0.44 -1.32 0.00 0.00 175.29 176.25 1re2 h ASP 87 N 2.39 0.00 -3.49 12.60 3.32 -1.93 -3.40 116.42 125.91 1re2 h ASP 87 Ca -0.47 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 55.97 1re2 h ASP 87 Cb 1.18 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 1re2 h ASP 87 CO 0.71 0.03 0.43 0.21 -1.72 0.00 0.00 179.24 178.90 1re2 s ASN 88 N -5.99 6.61 -0.01 6.45 2.47 -1.26 -4.84 114.94 118.37 1re2 s ASN 88 Ca -0.04 0.49 0.05 0.00 0.42 0.00 0.00 52.86 53.78 1re2 s ASN 88 Cb 0.14 -2.41 0.17 0.00 -1.45 0.00 0.00 41.25 37.70 1re2 s ASN 88 CO 0.53 -0.73 1.09 2.30 -3.72 0.00 0.00 177.10 176.57 1re2 n ILE 89 N 5.76 0.32 -0.19 -5.21 -5.35 -1.26 -4.42 119.36 109.00 1re2 n ILE 89 Ca 0.04 -0.26 -0.01 0.00 -0.27 0.00 0.00 62.75 62.25 1re2 n ILE 89 Cb 0.48 0.04 0.07 0.00 -1.74 0.00 0.00 39.64 38.48 1re2 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1re2 h ALA 90 N 3.21 0.46 0.00 -1.28 0.00 -1.94 -0.51 119.26 119.20 1re2 h ALA 90 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1re2 h ALA 90 Cb 0.34 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1re2 h ALA 90 CO 0.02 -0.42 -0.51 -0.44 0.00 0.00 0.00 179.25 177.91 1re2 h ASP 91 N 0.05 0.00 -0.72 0.00 3.32 -1.87 -1.57 116.42 115.63 1re2 h ASP 91 Ca 0.29 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1re2 h ASP 91 Cb 0.45 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1re2 h ASP 91 CO -0.55 0.51 0.35 0.00 -1.72 0.00 0.00 179.24 177.83 1re2 h ALA 92 N 1.49 0.93 -0.07 3.45 0.00 -1.53 -1.56 119.26 121.99 1re2 h ALA 92 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1re2 h ALA 92 Cb 1.31 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1re2 h ALA 92 CO 0.07 0.50 -0.06 0.28 0.00 0.00 0.00 179.25 180.03 1re2 h VAL 93 N 1.01 1.37 -0.40 0.00 2.07 -1.05 -0.49 116.25 118.76 1re2 h VAL 93 Ca 0.25 -1.21 0.10 0.00 0.82 0.00 0.00 66.70 66.66 1re2 h VAL 93 Cb 0.12 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1re2 h VAL 93 CO -0.03 0.33 0.28 0.00 0.02 0.00 0.00 177.57 178.17 1re2 h ALA 94 N 0.56 2.25 0.16 1.67 0.00 -1.13 -1.04 119.26 121.74 1re2 h ALA 94 Ca 0.01 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1re2 h ALA 94 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1re2 h ALA 94 CO 0.02 -0.36 -1.11 0.00 0.00 0.00 0.00 179.25 177.80 1re2 h ALA 96 N 0.07 1.86 -0.41 0.00 0.00 -0.72 0.21 119.26 120.27 1re2 h ALA 96 Ca -0.21 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1re2 h ALA 96 Cb 1.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1re2 h ALA 96 CO 0.16 0.13 -0.13 0.87 0.00 0.00 0.00 179.25 180.28 1re2 h LYS 97 N 0.22 0.75 -0.36 0.00 1.57 -1.25 -2.27 116.57 115.23 1re2 h LYS 97 Ca 0.06 -0.26 -0.17 0.00 -1.87 0.00 0.00 60.65 58.42 1re2 h LYS 97 Cb 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1re2 h LYS 97 CO -0.01 0.85 -0.42 -0.09 -0.57 0.00 0.00 179.45 179.21 1re2 h ARG 98 N 0.67 0.92 -0.63 3.15 9.65 -0.55 -3.24 114.38 124.36 1re2 h ARG 98 Ca 0.11 -0.51 0.09 0.00 -1.10 0.00 0.00 59.98 58.57 1re2 h ARG 98 Cb 0.61 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 29.15 1re2 h ARG 98 CO 0.04 1.16 0.27 0.28 2.80 0.00 0.00 179.97 184.52 1re2 h VAL 99 N 0.74 0.82 0.00 0.20 2.07 -0.48 -1.76 116.25 117.84 1re2 h VAL 99 Ca 0.05 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1re2 h VAL 99 Cb 1.02 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1re2 h VAL 99 CO 0.10 0.09 0.00 1.33 0.02 0.00 0.00 177.57 179.11 1re2 n VAL 100 N -4.94 0.43 0.54 2.57 0.24 -0.89 -2.60 118.33 113.68 1re2 n VAL 100 Ca 0.09 0.11 0.04 0.00 -2.04 0.00 0.00 64.34 62.54 1re2 n VAL 100 Cb 0.26 -0.76 0.16 0.00 -1.47 0.00 0.00 33.84 32.03 1re2 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1re2 n ARG 101 N -1.35 2.26 -3.94 7.34 1.74 -0.66 -4.18 116.66 117.87 1re2 n ARG 101 Ca 0.08 -1.25 -0.22 0.00 -0.77 0.00 0.00 57.85 55.69 1re2 n ARG 101 Cb 0.19 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 1re2 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1re2 s ASP 102 N -0.62 6.32 0.36 0.55 1.11 -1.07 -5.00 116.67 118.32 1re2 s ASP 102 Ca 0.22 0.10 0.18 0.00 0.18 0.00 0.00 52.55 53.23 1re2 s ASP 102 Cb 0.15 -1.88 1.23 0.00 1.07 0.00 0.00 42.92 43.49 1re2 s ASP 102 CO 0.10 -0.06 1.60 -0.65 1.18 0.00 0.00 175.17 177.34 1re2 h PRO 103 N 1.34 0.06 0.00 8.23 0.11 -1.89 -0.17 132.00 139.68 1re2 h PRO 103 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1re2 h PRO 103 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1re2 h PRO 103 CO 0.62 0.04 -0.33 0.00 -0.21 0.00 0.00 178.00 178.12 1re2 n GLN 104 N -5.24 0.15 0.00 1.05 10.64 -1.26 -5.03 117.38 117.69 1re2 n GLN 104 Ca 0.35 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.59 1re2 n GLN 104 Cb 1.17 -1.62 0.00 0.00 -0.86 0.00 0.00 30.24 28.93 1re2 n GLN 104 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1re2 n GLY 105 N 1.41 3.03 0.00 2.61 0.00 -0.08 -1.81 105.19 110.35 1re2 n GLY 105 Ca 0.05 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.86 1re2 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1re2 n ILE 106 N 0.00 1.10 1.11 -0.61 3.06 -1.26 -1.80 119.36 120.96 1re2 n ILE 106 Ca 0.00 0.28 0.07 0.00 -2.50 0.00 0.00 62.75 60.60 1re2 n ILE 106 Cb 0.00 -1.12 0.42 0.00 0.54 0.00 0.00 39.64 39.48 1re2 n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1re2 n ARG 107 N -1.40 0.56 0.00 9.51 5.12 -0.75 -2.76 116.66 126.93 1re2 n ARG 107 Ca 0.03 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.07 1re2 n ARG 107 Cb 0.09 -1.40 0.55 0.00 -1.16 0.00 0.00 32.46 30.55 1re2 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1re2 n ALA 108 N -0.90 2.16 -3.76 7.54 0.00 -0.75 -4.65 120.51 120.17 1re2 n ALA 108 Ca 0.11 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1re2 n ALA 108 Cb 0.05 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.94 1re2 n ALA 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1re2 s TRP 109 N -2.97 2.99 0.41 0.00 0.51 -1.11 -5.00 118.94 113.78 1re2 s TRP 109 Ca 0.13 -1.46 0.12 0.00 -2.12 0.00 0.00 56.10 52.77 1re2 s TRP 109 Cb 0.17 -2.04 0.88 0.00 -0.81 0.00 0.00 33.47 31.66 1re2 s TRP 109 CO 0.46 -0.71 1.95 -0.39 -0.51 0.00 0.00 176.95 177.74 1re2 h VAL 110 N 6.02 1.16 -0.28 4.03 -1.51 -1.89 -2.16 116.25 121.62 1re2 h VAL 110 Ca -0.37 -0.72 -0.03 0.00 -1.23 0.00 0.00 66.70 64.35 1re2 h VAL 110 Cb 1.12 1.27 -0.02 0.00 -2.13 0.00 0.00 31.29 31.54 1re2 h VAL 110 CO 0.59 0.22 0.04 0.00 -1.23 0.00 0.00 177.57 177.18 1re2 h ALA 111 N 1.72 1.54 0.74 5.19 0.00 -1.94 -0.27 119.26 126.25 1re2 h ALA 111 Ca 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1re2 h ALA 111 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1re2 h ALA 111 CO 0.02 0.34 -0.38 2.35 0.00 0.00 0.00 179.25 181.59 1re2 h TRP 112 N 0.40 -0.98 -0.21 0.00 7.01 -1.72 0.15 115.95 120.61 1re2 h TRP 112 Ca 0.09 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.11 1re2 h TRP 112 Cb 0.21 0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.57 1re2 h TRP 112 CO 0.01 -0.60 -0.02 0.00 -2.79 0.00 0.00 178.44 175.04 1re2 h ARG 113 N -1.02 0.04 -0.01 2.65 3.08 -1.48 0.54 114.38 118.19 1re2 h ARG 113 Ca -0.10 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1re2 h ARG 113 Cb 0.79 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 1re2 h ARG 113 CO 0.15 0.03 0.01 -0.91 -1.07 0.00 0.00 179.97 178.18 1re2 h ASN 114 N 0.04 0.01 -0.00 7.04 2.35 -0.96 -3.28 115.58 120.79 1re2 h ASN 114 Ca 0.10 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1re2 h ASN 114 Cb 0.13 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1re2 h ASN 114 CO -0.18 0.06 -0.12 0.54 -1.65 0.00 0.00 177.43 176.07 1re2 n ARG 115 N -5.06 2.38 -0.03 0.81 1.74 0.03 -4.75 116.66 111.78 1re2 n ARG 115 Ca -0.07 -0.46 -0.05 0.00 -0.77 0.00 0.00 57.85 56.50 1re2 n ARG 115 Cb 0.05 -0.95 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 1re2 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1re2 s GLN 117 N -2.11 4.19 -1.22 0.00 0.74 0.13 -3.03 119.66 118.36 1re2 s GLN 117 Ca -0.08 2.39 -0.04 0.00 0.05 0.00 0.00 55.36 57.68 1re2 s GLN 117 Cb 0.02 -3.42 -0.01 0.00 1.10 0.00 0.00 33.01 30.70 1re2 s GLN 117 CO 0.12 -0.71 0.79 0.09 -0.55 0.00 0.00 175.29 175.03 1re2 n ASN 118 N 4.98 -2.81 -0.98 6.67 3.02 -1.26 -4.88 115.26 120.00 1re2 n ASN 118 Ca 0.15 -0.81 -0.02 0.00 -0.03 0.00 0.00 54.58 53.88 1re2 n ASN 118 Cb 0.39 -4.27 -0.02 0.00 -0.61 0.00 0.00 39.78 35.27 1re2 n ASN 118 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1re2 n ARG 119 N -4.07 0.00 -1.59 3.52 1.74 -1.17 -5.11 116.66 109.99 1re2 n ARG 119 Ca -0.23 -1.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.76 1re2 n ARG 119 Cb 0.65 0.14 0.00 0.00 -1.02 0.00 0.00 32.46 32.24 1re2 n ARG 119 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1re2 n ASP 120 N 0.14 -2.64 -1.19 0.55 2.03 -1.26 -4.88 116.55 109.29 1re2 n ASP 120 Ca -0.10 0.59 0.07 0.00 0.52 0.00 0.00 54.79 55.87 1re2 n ASP 120 Cb 0.79 -0.92 0.25 0.00 -0.72 0.00 0.00 41.12 40.51 1re2 n ASP 120 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1re2 n VAL 121 N 1.88 1.27 0.34 5.18 0.24 -1.26 -4.40 118.33 121.58 1re2 n VAL 121 Ca 0.00 -0.82 0.22 0.00 -2.04 0.00 0.00 64.34 61.70 1re2 n VAL 121 Cb 0.00 0.01 1.16 0.00 -1.47 0.00 0.00 33.84 33.54 1re2 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1re2 h ARG 122 N 2.87 0.00 -0.46 7.34 2.47 -1.92 -2.81 114.38 121.87 1re2 h ARG 122 Ca 0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1re2 h ARG 122 Cb 1.09 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.38 1re2 h ARG 122 CO 0.16 0.00 0.08 -0.56 0.56 0.00 0.00 179.97 180.21 1re2 h GLN 123 N 0.00 0.71 0.00 0.04 3.07 -1.96 -3.27 115.11 113.70 1re2 h GLN 123 Ca 0.00 -0.15 -0.06 0.00 0.09 0.00 0.00 58.65 58.53 1re2 h GLN 123 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.53 1re2 h GLN 123 CO -0.00 0.67 -0.29 1.88 0.09 0.00 0.00 178.83 181.18 1re2 h TYR 124 N 0.68 0.00 -0.14 0.06 0.05 -1.84 -3.25 116.97 112.53 1re2 h TYR 124 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1re2 h TYR 124 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1re2 h TYR 124 CO 0.01 0.29 0.00 1.33 -1.05 0.00 0.00 178.16 178.75 1re2 n VAL 125 N -3.77 0.32 -2.74 -2.88 0.24 -1.24 -4.81 118.33 103.46 1re2 n VAL 125 Ca -0.01 -0.66 -0.43 0.00 -2.04 0.00 0.00 64.34 61.20 1re2 n VAL 125 Cb 0.39 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.74 1re2 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1re2 s GLN 126 N -1.04 3.85 0.00 7.34 -0.21 -1.23 -2.97 119.66 125.41 1re2 s GLN 126 Ca 0.19 0.66 0.00 0.00 0.02 0.00 0.00 55.36 56.22 1re2 s GLN 126 Cb 0.12 -3.81 0.00 0.00 1.00 0.00 0.00 33.01 30.31 1re2 s GLN 126 CO 0.17 -1.02 0.00 0.41 -2.12 0.00 0.00 175.29 172.73 1re2 n GLY 127 N 4.37 1.12 0.07 3.09 0.00 -1.26 -4.98 105.19 107.61 1re2 n GLY 127 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1re2 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1re2 n GLY 129 N 1.45 -0.06 0.10 0.00 0.00 -1.26 -4.82 105.19 100.61 1re2 n GLY 129 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.05 1re2 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65