#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2s n ALA 2 N 0.00 -0.96 -3.68 4.61 0.00 -1.26 -4.81 120.51 114.41 1t2s n ALA 2 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 1t2s n ALA 2 Cb 0.00 -3.85 -0.14 0.00 0.00 0.00 0.00 19.45 15.46 1t2s n ALA 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1t2s s MET 3 N -5.67 0.75 -0.32 0.00 -2.45 -1.26 -5.06 119.30 105.28 1t2s s MET 3 Ca 0.29 -1.23 -0.21 0.00 -1.25 0.00 0.00 55.69 53.30 1t2s s MET 3 Cb -0.13 -1.88 -0.00 0.00 1.25 0.00 0.00 34.83 34.06 1t2s s MET 3 CO 0.36 -1.05 0.65 0.00 1.05 0.00 0.00 175.02 176.03 1t2s s ALA 4 N 1.36 3.51 -0.29 4.11 0.00 -1.26 -2.08 121.76 127.09 1t2s s ALA 4 Ca 0.12 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.24 1t2s s ALA 4 Cb -0.19 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1t2s s ALA 4 CO -0.18 -1.18 0.41 -1.64 0.00 0.00 0.00 175.76 173.17 1t2s s MET 5 N 2.70 3.88 0.13 0.00 -1.94 0.99 -4.92 119.30 120.14 1t2s s MET 5 Ca 0.26 -0.04 -0.35 0.00 -1.71 0.00 0.00 55.69 53.86 1t2s s MET 5 Cb -0.15 -3.71 -0.15 0.00 2.01 0.00 0.00 34.83 32.83 1t2s s MET 5 CO 0.13 -0.39 1.39 -2.30 -0.01 0.00 0.00 175.02 173.84 1t2s n PRO 6 N 5.44 1.52 0.16 2.03 -0.02 -1.26 -0.36 135.00 142.50 1t2s n PRO 6 Ca -0.07 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 1t2s n PRO 6 Cb 0.50 -2.21 0.63 0.00 -0.02 0.00 0.00 33.50 32.40 1t2s n PRO 6 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1t2s h MET 7 N 4.77 0.07 -0.24 -0.52 4.05 -1.16 0.24 114.93 122.14 1t2s h MET 7 Ca -0.46 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 58.88 1t2s h MET 7 Cb 1.31 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.09 1t2s h MET 7 CO 0.80 0.04 -0.15 0.82 0.23 0.00 0.00 176.91 178.65 1t2s h ILE 8 N 0.07 1.31 0.00 1.77 1.08 -1.79 -2.67 117.51 117.27 1t2s h ILE 8 Ca 0.09 -1.25 -0.07 0.00 -0.39 0.00 0.00 64.86 63.23 1t2s h ILE 8 Cb 0.28 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 1t2s h ILE 8 CO -0.01 0.39 -0.35 -0.08 -0.69 0.00 0.00 178.15 177.41 1t2s h GLU 9 N 0.24 0.00 -0.52 2.37 4.81 -1.24 0.54 114.58 120.78 1t2s h GLU 9 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1t2s h GLU 9 Cb 0.67 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1t2s h GLU 9 CO 0.04 0.35 0.34 -0.92 -0.73 0.00 0.00 179.01 178.09 1t2s h TYR 10 N 0.00 0.66 -0.45 0.92 3.20 -0.52 0.13 116.97 120.92 1t2s h TYR 10 Ca -0.00 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 1t2s h TYR 10 Cb 0.67 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1t2s h TYR 10 CO 0.00 0.42 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.62 1t2s h LEU 11 N 0.70 1.00 0.20 2.82 4.07 -1.01 -0.08 115.31 123.01 1t2s h LEU 11 Ca 0.19 -0.41 0.01 0.00 0.08 0.00 0.00 57.88 57.74 1t2s h LEU 11 Cb -0.07 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.37 1t2s h LEU 11 CO -0.04 1.20 -0.26 -0.33 -1.08 0.00 0.00 178.44 177.93 1t2s h GLU 12 N 0.81 -0.50 0.13 1.13 5.08 -0.48 0.38 114.58 121.14 1t2s h GLU 12 Ca 0.10 0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.21 1t2s h GLU 12 Cb 0.84 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1t2s h GLU 12 CO 0.07 -0.33 -1.25 0.00 -1.00 0.00 0.00 179.01 176.50 1t2s h ARG 13 N -0.52 0.31 0.00 2.33 3.08 -0.77 -2.14 114.38 116.66 1t2s h ARG 13 Ca 0.01 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1t2s h ARG 13 Cb 0.51 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1t2s h ARG 13 CO -0.10 1.24 -0.28 1.19 -1.07 0.00 0.00 179.97 180.95 1t2s n PHE 14 N -3.56 0.00 0.04 3.04 3.72 -0.06 -4.45 117.46 116.18 1t2s n PHE 14 Ca -0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.18 1t2s n PHE 14 Cb 1.02 -0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 39.35 1t2s n PHE 14 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1t2s h SER 15 N -0.28 -0.03 0.00 4.37 0.02 -1.25 -3.33 113.55 113.06 1t2s h SER 15 Ca 0.00 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 1t2s h SER 15 Cb 0.28 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1t2s h SER 15 CO 0.00 0.12 -1.83 0.18 -1.14 0.00 0.00 176.83 174.16 1t2s n LEU 16 N -5.04 0.00 -0.10 5.07 4.77 0.13 -4.97 117.00 116.86 1t2s n LEU 16 Ca -0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.89 1t2s n LEU 16 Cb 0.10 0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1t2s n LEU 16 CO 0.33 0.14 -0.01 0.29 -1.33 0.00 0.00 177.39 176.81 1t2s n LYS 17 N -2.24 -1.09 -4.21 3.23 4.76 -0.98 -4.97 118.16 112.66 1t2s n LYS 17 Ca -0.11 0.35 -0.17 0.00 -2.87 0.00 0.00 58.31 55.51 1t2s n LYS 17 Cb 0.63 -4.21 -0.13 0.00 -1.84 0.00 0.00 35.03 29.48 1t2s n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t2s s ALA 18 N -1.55 0.89 0.04 7.82 0.00 -0.84 -4.92 121.76 123.20 1t2s s ALA 18 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 1t2s s ALA 18 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1t2s s ALA 18 CO 0.00 0.13 1.07 0.21 0.00 0.00 0.00 175.76 177.17 1t2s s LYS 19 N -1.22 4.52 0.08 0.00 2.20 -1.26 -4.00 119.74 120.05 1t2s s LYS 19 Ca -0.02 1.57 -0.29 0.00 -0.36 0.00 0.00 55.97 56.86 1t2s s LYS 19 Cb -0.08 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1t2s s LYS 19 CO 0.01 -0.11 0.94 0.42 -0.36 0.00 0.00 175.35 176.24 1t2s s ILE 20 N 0.94 4.61 0.00 5.43 1.01 -1.26 -5.03 121.20 126.89 1t2s s ILE 20 Ca 0.54 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.20 1t2s s ILE 20 Cb -0.25 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 37.93 1t2s s ILE 20 CO 0.29 0.29 0.00 -0.46 0.00 0.00 0.00 174.94 175.06 1t2s n ASN 21 N 3.02 0.26 0.20 3.58 0.23 -1.26 -5.04 115.26 116.25 1t2s n ASN 21 Ca 0.02 -0.91 0.15 0.00 -0.53 0.00 0.00 54.58 53.31 1t2s n ASN 21 Cb 0.50 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.82 1t2s n ASN 21 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1t2s h ASN 22 N 0.00 0.00 -0.46 0.53 -1.07 -1.97 -2.71 115.58 109.90 1t2s h ASN 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1t2s h ASN 22 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1t2s h ASN 22 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.43 177.85 1t2s n THR 23 N -2.62 1.35 -2.90 6.14 -2.24 -1.26 -4.92 114.28 107.83 1t2s n THR 23 Ca 0.01 -0.85 -0.36 0.00 -2.27 0.00 0.00 64.05 60.58 1t2s n THR 23 Cb 0.23 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 1t2s n THR 23 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1t2s s THR 24 N -1.79 4.37 -0.87 4.28 -4.23 -1.03 -4.99 115.64 111.38 1t2s s THR 24 Ca 0.37 1.57 0.01 0.00 -1.18 0.00 0.00 61.69 62.45 1t2s s THR 24 Cb 0.24 -3.88 0.33 0.00 1.34 0.00 0.00 72.50 70.53 1t2s s THR 24 CO 0.17 0.07 1.55 0.59 -0.54 0.00 0.00 174.62 176.46 1t2s n ASN 25 N 0.35 6.44 0.00 3.99 5.03 -1.26 -4.71 115.26 125.10 1t2s n ASN 25 Ca 0.02 -3.70 0.12 0.00 0.87 0.00 0.00 54.58 51.89 1t2s n ASN 25 Cb 0.51 -0.96 0.62 0.00 -1.02 0.00 0.00 39.78 38.93 1t2s n ASN 25 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1t2s n LEU 26 N -0.15 0.00 0.17 3.41 7.99 -1.26 -3.09 117.00 124.06 1t2s n LEU 26 Ca 0.42 0.26 0.02 0.00 -0.01 0.00 0.00 56.01 56.71 1t2s n LEU 26 Cb 0.31 -0.26 0.34 0.00 -0.11 0.00 0.00 43.42 43.69 1t2s n LEU 26 CO 0.46 -0.05 0.72 -2.24 -1.51 0.00 0.00 177.39 174.77 1t2s h ASP 27 N 0.00 0.04 1.66 -1.43 2.03 -1.84 0.67 116.42 117.55 1t2s h ASP 27 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1t2s h ASP 27 Cb 0.21 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1t2s h ASP 27 CO 0.00 0.41 -0.18 1.88 -1.03 0.00 0.00 179.24 180.32 1t2s h TYR 28 N 0.04 0.00 0.00 4.15 0.05 -1.95 -3.37 116.97 115.89 1t2s h TYR 28 Ca 0.00 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.62 1t2s h TYR 28 Cb 0.67 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 1t2s h TYR 28 CO 0.00 0.00 -1.71 0.43 -1.05 0.00 0.00 178.16 175.83 1t2s n SER 29 N -2.77 2.31 -0.05 3.88 7.64 -0.78 -4.58 113.62 119.27 1t2s n SER 29 Ca 0.04 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.02 1t2s n SER 29 Cb 0.50 0.91 0.50 0.00 -1.01 0.00 0.00 64.21 65.10 1t2s n SER 29 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1t2s h ARG 30 N 0.00 0.40 0.00 1.43 9.65 0.15 0.38 114.38 126.39 1t2s h ARG 30 Ca -0.24 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1t2s h ARG 30 Cb 1.47 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.96 1t2s h ARG 30 CO 0.01 0.26 0.00 2.89 2.80 0.00 0.00 179.97 185.94 1t2s n ARG 31 N -4.47 0.05 0.00 0.20 -4.01 -1.26 -1.48 116.66 105.68 1t2s n ARG 31 Ca 0.08 0.23 0.04 0.00 -1.04 0.00 0.00 57.85 57.16 1t2s n ARG 31 Cb 0.30 -1.58 -0.05 0.00 -3.04 0.00 0.00 32.46 28.10 1t2s n ARG 31 CO 0.00 0.00 0.00 1.97 -3.04 0.00 0.00 177.63 176.56 1t2s n PHE 32 N -1.67 0.00 0.35 2.89 -1.74 0.11 -4.19 117.46 113.21 1t2s n PHE 32 Ca 0.04 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.05 1t2s n PHE 32 Cb 0.23 0.00 0.21 0.00 1.52 0.00 0.00 39.48 41.44 1t2s n PHE 32 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 1t2s h LEU 33 N 0.14 0.00 -0.32 5.98 3.38 0.04 -3.33 115.31 121.19 1t2s h LEU 33 Ca 0.00 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1t2s h LEU 33 Cb 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1t2s h LEU 33 CO 0.00 0.01 -0.29 -0.33 0.09 0.00 0.00 178.44 177.92 1t2s h GLU 34 N 0.00 -0.25 -0.13 1.13 5.08 -1.43 0.29 114.58 119.27 1t2s h GLU 34 Ca 0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1t2s h GLU 34 Cb 0.90 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1t2s h GLU 34 CO 0.00 -0.17 0.14 -1.35 -1.00 0.00 0.00 179.01 176.63 1t2s h PRO 35 N -0.26 0.00 0.00 2.33 0.11 -1.84 0.19 132.00 132.53 1t2s h PRO 35 Ca 0.16 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 1t2s h PRO 35 Cb 0.51 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 1t2s h PRO 35 CO -0.47 0.00 -0.88 0.35 -0.21 0.00 0.00 178.00 176.80 1t2s h PHE 36 N 0.00 0.00 -0.02 0.65 3.57 -1.42 -3.27 116.94 116.44 1t2s h PHE 36 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1t2s h PHE 36 Cb 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1t2s h PHE 36 CO 0.00 0.45 -0.10 1.28 -2.23 0.00 0.00 178.31 177.71 1t2s n LEU 37 N -3.03 2.26 -4.55 0.59 4.32 -0.03 -4.88 117.00 111.68 1t2s n LEU 37 Ca -0.03 -0.76 -0.38 0.00 -0.02 0.00 0.00 56.01 54.83 1t2s n LEU 37 Cb 0.74 -0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 42.50 1t2s n LEU 37 CO 0.41 0.39 2.01 -1.14 -1.22 0.00 0.00 177.39 177.83 1t2s n ARG 38 N 0.63 1.15 -1.90 3.23 0.63 -0.12 -2.60 116.66 117.67 1t2s n ARG 38 Ca 0.14 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1t2s n ARG 38 Cb 0.49 -3.32 0.00 0.00 0.45 0.00 0.00 32.46 30.08 1t2s n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t2s n GLY 39 N 6.01 0.88 3.98 5.14 0.00 0.74 -5.03 105.19 116.90 1t2s n GLY 39 Ca 0.37 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1t2s n GLY 39 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t2s s ILE 40 N -2.75 2.57 -0.09 -0.61 -4.36 -1.07 -4.87 121.20 110.02 1t2s s ILE 40 Ca 0.00 -1.10 0.04 0.00 -0.26 0.00 0.00 60.65 59.33 1t2s s ILE 40 Cb 0.00 -2.67 -0.01 0.00 1.25 0.00 0.00 42.46 41.03 1t2s s ILE 40 CO 0.00 0.00 -0.23 0.54 0.24 0.00 0.00 174.94 175.49 1t2s s ASN 41 N -4.40 3.20 -0.03 4.36 2.20 -1.26 -0.20 114.94 118.81 1t2s s ASN 41 Ca 0.54 -0.52 0.02 0.00 -0.94 0.00 0.00 52.86 51.96 1t2s s ASN 41 Cb -0.07 -1.26 0.01 0.00 -2.00 0.00 0.00 41.25 37.93 1t2s s ASN 41 CO 0.33 0.19 -0.07 0.68 -2.94 0.00 0.00 177.10 175.28 1t2s s VAL 42 N 0.18 0.68 -0.39 3.54 -7.23 -0.23 -3.54 120.40 113.40 1t2s s VAL 42 Ca -0.13 -0.28 -0.25 0.00 -1.81 0.00 0.00 61.98 59.52 1t2s s VAL 42 Cb -0.16 -0.63 0.02 0.00 0.56 0.00 0.00 36.38 36.16 1t2s s VAL 42 CO 0.07 0.23 0.87 -0.69 -0.31 0.00 0.00 175.10 175.27 1t2s s VAL 43 N 0.41 4.62 -0.59 1.32 1.01 0.13 -0.29 120.40 127.01 1t2s s VAL 43 Ca -0.06 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 62.59 1t2s s VAL 43 Cb -0.10 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 31.99 1t2s s VAL 43 CO 0.01 -0.57 1.24 -0.47 0.00 0.00 0.00 175.10 175.31 1t2s s TYR 44 N 3.39 2.51 -0.49 5.22 5.04 0.71 -2.08 117.35 131.66 1t2s s TYR 44 Ca 0.35 0.39 -0.17 0.00 -2.44 0.00 0.00 57.07 55.20 1t2s s TYR 44 Cb -0.12 -4.50 0.07 0.00 0.35 0.00 0.00 41.96 37.75 1t2s s TYR 44 CO 0.20 -1.71 0.51 0.95 -1.34 0.00 0.00 175.55 174.16 1t2s s THR 45 N 5.24 5.06 0.26 4.34 -4.23 -1.04 -2.08 115.64 123.18 1t2s s THR 45 Ca 0.44 -0.81 -0.30 0.00 -1.18 0.00 0.00 61.69 59.85 1t2s s THR 45 Cb -0.08 -4.22 -0.09 0.00 1.34 0.00 0.00 72.50 69.45 1t2s s THR 45 CO 0.25 -0.70 1.22 -2.84 -0.54 0.00 0.00 174.62 172.00 1t2s s PRO 46 N 2.12 4.48 0.48 3.99 0.02 -1.26 -4.83 135.00 139.99 1t2s s PRO 46 Ca 0.09 1.99 -0.23 0.00 0.02 0.00 0.00 61.00 62.87 1t2s s PRO 46 Cb -0.22 -3.17 -0.08 0.00 0.02 0.00 0.00 34.50 31.05 1t2s s PRO 46 CO 0.09 -0.06 1.10 -2.30 -0.33 0.00 0.00 177.00 175.50 1t2s n PRO 47 N 1.68 1.43 0.04 5.54 -0.02 -1.26 -4.77 135.00 137.63 1t2s n PRO 47 Ca 0.02 0.52 0.22 0.00 -2.02 0.00 0.00 63.50 62.23 1t2s n PRO 47 Cb 0.43 -2.22 0.73 0.00 -0.02 0.00 0.00 33.50 32.43 1t2s n PRO 47 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1t2s h GLN 48 N 1.41 0.00 0.00 -0.52 3.07 -1.95 0.24 115.11 117.36 1t2s h GLN 48 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1t2s h GLN 48 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 1t2s h GLN 48 CO 0.56 0.00 0.00 0.77 0.09 0.00 0.00 178.83 180.25 1t2s h SER 49 N 0.00 0.00 0.32 0.06 0.02 -1.86 -2.26 113.55 109.83 1t2s h SER 49 Ca 0.24 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.94 1t2s h SER 49 Cb 1.22 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.71 1t2s h SER 49 CO -0.00 0.00 -1.90 0.49 -1.14 0.00 0.00 176.83 174.28 1t2s n PHE 50 N -2.90 0.52 -2.62 3.45 3.01 0.83 -4.97 117.46 114.78 1t2s n PHE 50 Ca -0.01 0.18 -0.17 0.00 1.01 0.00 0.00 57.45 58.45 1t2s n PHE 50 Cb 0.16 -1.01 -0.00 0.00 -0.01 0.00 0.00 39.48 38.62 1t2s n PHE 50 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1t2s n GLN 51 N -2.80 -2.57 -3.56 -1.08 6.02 -0.85 -4.97 117.38 107.57 1t2s n GLN 51 Ca -0.19 0.75 -0.33 0.00 -0.01 0.00 0.00 57.00 57.22 1t2s n GLN 51 Cb 0.97 -5.42 -0.05 0.00 1.02 0.00 0.00 30.24 26.76 1t2s n GLN 51 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1t2s s SER 52 N -2.21 6.60 0.02 1.08 0.01 -1.26 -5.06 113.70 112.88 1t2s s SER 52 Ca 0.09 0.77 -0.30 0.00 1.31 0.00 0.00 55.95 57.82 1t2s s SER 52 Cb -0.04 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 1t2s s SER 52 CO 0.11 0.09 1.02 0.00 0.41 0.00 0.00 173.24 174.87 1t2s s ALA 53 N -1.56 3.21 0.30 1.44 0.00 -1.26 -4.54 121.76 119.34 1t2s s ALA 53 Ca 0.38 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1t2s s ALA 53 Cb -0.13 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.51 1t2s s ALA 53 CO 0.21 -0.26 1.47 -2.30 0.00 0.00 0.00 175.76 174.88 1t2s n PRO 54 N 3.87 2.40 -4.13 0.00 -0.02 -1.26 -4.84 135.00 131.01 1t2s n PRO 54 Ca 0.06 0.85 -0.15 0.00 -2.02 0.00 0.00 63.50 62.24 1t2s n PRO 54 Cb 0.50 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.29 1t2s n PRO 54 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1t2s s ARG 55 N -0.91 0.40 0.00 -0.52 3.52 -0.88 -4.94 118.95 115.63 1t2s s ARG 55 Ca 0.62 -0.23 -0.20 0.00 -0.13 0.00 0.00 55.73 55.80 1t2s s ARG 55 Cb -0.55 -0.37 -0.06 0.00 -1.56 0.00 0.00 34.95 32.41 1t2s s ARG 55 CO 0.53 0.10 0.57 0.08 -0.81 0.00 0.00 175.30 175.77 1t2s s VAL 56 N -0.24 4.91 0.04 7.11 1.01 -1.26 -0.21 120.40 131.76 1t2s s VAL 56 Ca 0.01 1.19 0.05 0.00 0.00 0.00 0.00 61.98 63.23 1t2s s VAL 56 Cb -0.03 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1t2s s VAL 56 CO -0.00 0.45 -0.14 -0.31 0.00 0.00 0.00 175.10 175.09 1t2s s TYR 57 N -0.36 1.24 -0.20 5.22 2.02 0.61 -4.94 117.35 120.93 1t2s s TYR 57 Ca 0.30 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.45 1t2s s TYR 57 Cb -0.18 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 1t2s s TYR 57 CO 0.17 0.04 0.55 0.50 -1.57 0.00 0.00 175.55 175.24 1t2s s ARG 58 N -1.15 4.19 -0.26 -0.62 3.52 -1.26 -1.07 118.95 122.30 1t2s s ARG 58 Ca 0.02 0.47 -0.29 0.00 -0.13 0.00 0.00 55.73 55.80 1t2s s ARG 58 Cb -0.08 -3.57 0.01 0.00 -1.56 0.00 0.00 34.95 29.74 1t2s s ARG 58 CO 0.01 -0.19 1.16 0.08 -0.81 0.00 0.00 175.30 175.55 1t2s s VAL 59 N 1.76 4.42 0.06 7.11 1.01 0.72 -4.32 120.40 131.16 1t2s s VAL 59 Ca 0.25 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.92 1t2s s VAL 59 Cb -0.16 -4.25 -0.25 0.00 0.00 0.00 0.00 36.38 31.73 1t2s s VAL 59 CO 0.10 -0.34 1.06 -1.13 0.00 0.00 0.00 175.10 174.79 1t2s h ASN 60 N 8.24 0.20 0.00 3.32 -0.73 -1.76 0.22 115.58 125.06 1t2s h ASN 60 Ca -0.23 -0.24 0.00 0.00 1.87 0.00 0.00 56.30 57.70 1t2s h ASN 60 Cb 1.08 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.60 1t2s h ASN 60 CO 1.01 1.19 0.00 0.61 -0.37 0.00 0.00 177.43 179.87 1t2s n GLY 61 N 1.50 -0.86 3.30 1.57 0.00 -1.09 -4.32 105.19 105.29 1t2s n GLY 61 Ca -0.08 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1t2s n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2s s LEU 62 N 0.00 2.51 -0.11 0.99 1.43 -1.26 -1.26 118.68 120.98 1t2s s LEU 62 Ca 0.00 -0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 52.00 1t2s s LEU 62 Cb 0.00 -0.59 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 1t2s s LEU 62 CO 0.00 -0.19 0.31 -0.44 0.23 0.00 0.00 176.35 176.26 1t2s s SER 63 N -3.07 6.53 0.00 2.29 0.01 -0.34 -4.66 113.70 114.47 1t2s s SER 63 Ca 0.18 0.63 0.22 0.00 1.31 0.00 0.00 55.95 58.29 1t2s s SER 63 Cb -0.01 -2.19 1.14 0.00 0.21 0.00 0.00 66.02 65.17 1t2s s SER 63 CO 0.05 0.20 1.72 0.54 0.41 0.00 0.00 173.24 176.15 1t2s n ARG 64 N 2.91 0.35 -4.84 12.44 5.12 -1.26 -3.46 116.66 127.92 1t2s n ARG 64 Ca -0.13 0.07 -0.33 0.00 -1.93 0.00 0.00 57.85 55.53 1t2s n ARG 64 Cb 0.52 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.17 1t2s n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1t2s s ALA 65 N -2.52 2.46 0.89 7.54 0.00 -1.26 -5.00 121.76 123.87 1t2s s ALA 65 Ca 0.22 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 1t2s s ALA 65 Cb 0.15 -1.10 0.12 0.00 0.00 0.00 0.00 23.12 22.29 1t2s s ALA 65 CO 0.33 0.19 1.10 -2.30 0.00 0.00 0.00 175.76 175.08 1t2s n PRO 66 N 3.67 -0.27 0.02 0.00 -0.02 -1.26 -3.82 135.00 133.30 1t2s n PRO 66 Ca -0.19 -0.01 0.07 0.00 -2.02 0.00 0.00 63.50 61.35 1t2s n PRO 66 Cb 0.53 -2.35 0.30 0.00 -0.02 0.00 0.00 33.50 31.95 1t2s n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t2s n ALA 67 N -3.94 1.57 1.29 3.55 0.00 -0.25 -0.86 120.51 121.87 1t2s n ALA 67 Ca 0.12 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1t2s n ALA 67 Cb 0.52 -1.22 0.45 0.00 0.00 0.00 0.00 19.45 19.19 1t2s n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t2s n SER 68 N -1.60 0.88 0.00 0.00 2.88 -1.24 -1.61 113.62 112.92 1t2s n SER 68 Ca 0.03 -0.81 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 1t2s n SER 68 Cb 0.15 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1t2s n SER 68 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1t2s n SER 69 N -0.72 4.07 -4.69 -3.46 2.88 -0.04 -4.94 113.62 106.71 1t2s n SER 69 Ca 0.13 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.25 1t2s n SER 69 Cb 0.33 0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 1t2s n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1t2s s GLU 70 N -1.99 4.23 0.23 -1.46 0.41 -0.51 -4.90 118.70 114.71 1t2s s GLU 70 Ca 0.00 2.19 0.10 0.00 -0.41 0.00 0.00 54.97 56.84 1t2s s GLU 70 Cb 0.00 -3.58 -0.04 0.00 -1.78 0.00 0.00 34.13 28.73 1t2s s GLU 70 CO 0.00 -0.67 -0.08 0.95 -0.49 0.00 0.00 175.26 174.97 1t2s s THR 71 N 2.51 3.15 -0.01 3.63 -4.23 -1.26 -1.31 115.64 118.12 1t2s s THR 71 Ca 0.70 -1.89 -0.04 0.00 -1.18 0.00 0.00 61.69 59.27 1t2s s THR 71 Cb -0.36 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1t2s s THR 71 CO 0.30 -0.26 0.09 0.72 -0.54 0.00 0.00 174.62 174.92 1t2s s PHE 72 N -2.08 0.02 -0.52 3.99 -0.71 0.20 -4.93 117.98 113.93 1t2s s PHE 72 Ca 0.28 -0.03 -0.28 0.00 -1.04 0.00 0.00 56.93 55.86 1t2s s PHE 72 Cb -0.07 -0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.72 1t2s s PHE 72 CO 0.17 -0.16 1.27 -2.00 -1.34 0.00 0.00 175.22 173.16 1t2s s GLU 73 N -0.73 3.53 -0.19 1.99 2.12 -1.26 -1.59 118.70 122.57 1t2s s GLU 73 Ca -0.08 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.75 1t2s s GLU 73 Cb -0.05 -4.01 0.03 0.00 0.26 0.00 0.00 34.13 30.36 1t2s s GLU 73 CO 0.00 -1.65 -0.14 -1.58 -0.54 0.00 0.00 175.26 171.36 1t2s s HIS 74 N 5.16 2.54 -1.70 5.30 2.46 0.13 -4.68 115.29 124.51 1t2s s HIS 74 Ca 0.49 -1.59 -0.02 0.00 0.47 0.00 0.00 55.06 54.41 1t2s s HIS 74 Cb -0.09 -1.73 0.00 0.00 -0.13 0.00 0.00 32.58 30.63 1t2s s HIS 74 CO 0.28 -0.76 0.26 -0.25 -2.47 0.00 0.00 174.74 171.80 1t2s n ASP 75 N 4.66 -6.03 0.00 9.88 8.00 -1.26 -1.64 116.55 130.16 1t2s n ASP 75 Ca -0.17 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1t2s n ASP 75 Cb 0.48 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.62 1t2s n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t2s n GLY 76 N -1.23 2.96 3.70 0.44 0.00 -1.26 -5.01 105.19 104.77 1t2s n GLY 76 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1t2s n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2s s LYS 77 N -0.52 4.04 -0.79 1.61 -0.14 -0.65 -5.02 119.74 118.26 1t2s s LYS 77 Ca 0.00 -0.27 -0.23 0.00 -1.36 0.00 0.00 55.97 54.11 1t2s s LYS 77 Cb 0.00 -3.31 0.07 0.00 -1.68 0.00 0.00 37.83 32.91 1t2s s LYS 77 CO 0.00 0.32 1.15 0.15 -0.76 0.00 0.00 175.35 176.22 1t2s s LYS 78 N 0.26 3.31 0.13 1.68 1.02 -1.26 0.21 119.74 125.10 1t2s s LYS 78 Ca 0.06 -0.94 -0.06 0.00 0.02 0.00 0.00 55.97 55.05 1t2s s LYS 78 Cb -0.12 -4.55 -0.06 0.00 -0.52 0.00 0.00 37.83 32.58 1t2s s LYS 78 CO -0.01 -1.95 0.39 0.14 -0.92 0.00 0.00 175.35 173.01 1t2s s VAL 79 N 4.32 5.13 0.65 3.17 -7.23 -0.62 -4.70 120.40 121.11 1t2s s VAL 79 Ca 0.31 0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 60.53 1t2s s VAL 79 Cb -0.10 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 1t2s s VAL 79 CO 0.04 0.09 1.05 0.42 -0.31 0.00 0.00 175.10 176.39 1t2s s THR 80 N -1.61 4.13 0.21 5.32 -4.23 -1.26 -0.63 115.64 117.58 1t2s s THR 80 Ca 0.39 0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 61.59 1t2s s THR 80 Cb -0.12 -3.50 0.17 0.00 1.34 0.00 0.00 72.50 70.39 1t2s s THR 80 CO 0.22 -0.82 1.70 0.40 -0.54 0.00 0.00 174.62 175.58 1t2s h ILE 81 N -0.31 0.63 -0.94 2.99 1.08 -0.86 0.01 117.51 120.11 1t2s h ILE 81 Ca -0.45 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1t2s h ILE 81 Cb 1.21 0.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.25 1t2s h ILE 81 CO 0.58 0.05 0.60 0.00 -0.69 0.00 0.00 178.15 178.69 1t2s h ALA 82 N 1.49 1.19 -0.15 1.87 0.00 -1.59 -2.44 119.26 119.63 1t2s h ALA 82 Ca 0.32 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1t2s h ALA 82 Cb 0.49 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1t2s h ALA 82 CO -0.41 0.61 -0.25 0.77 0.00 0.00 0.00 179.25 179.97 1t2s h SER 83 N 1.28 0.28 -0.06 0.00 0.02 -1.28 0.11 113.55 113.89 1t2s h SER 83 Ca 0.34 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1t2s h SER 83 Cb -0.11 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 1t2s h SER 83 CO -0.07 0.53 -0.01 0.22 -1.14 0.00 0.00 176.83 176.37 1t2s h TYR 84 N 0.25 0.13 -0.52 3.45 3.20 -0.80 0.97 116.97 123.64 1t2s h TYR 84 Ca 0.04 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1t2s h TYR 84 Cb 0.59 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1t2s h TYR 84 CO 0.01 0.41 -0.03 0.74 -1.64 0.00 0.00 178.16 177.65 1t2s h PHE 85 N -0.20 1.03 -0.16 -3.82 -1.00 -1.37 -1.74 116.94 109.68 1t2s h PHE 85 Ca 0.02 -0.19 0.04 0.00 2.81 0.00 0.00 57.97 60.65 1t2s h PHE 85 Cb 0.37 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.62 1t2s h PHE 85 CO 0.04 0.96 -0.10 1.25 -1.61 0.00 0.00 178.31 178.85 1t2s h HIS 86 N 0.80 -0.23 0.00 -0.55 2.76 -0.37 -0.25 115.15 117.31 1t2s h HIS 86 Ca 0.14 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 1t2s h HIS 86 Cb 0.57 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 1t2s h HIS 86 CO 0.04 -0.15 -0.21 0.77 -1.30 0.00 0.00 177.93 177.08 1t2s h SER 87 N -0.09 0.00 -0.27 3.26 0.02 -0.71 -1.65 113.55 114.11 1t2s h SER 87 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1t2s h SER 87 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1t2s h SER 87 CO -0.22 0.21 0.00 0.54 -1.14 0.00 0.00 176.83 176.22 1t2s n ARG 88 N -3.60 2.31 -2.32 3.45 3.00 -0.66 -4.89 116.66 113.95 1t2s n ARG 88 Ca -0.01 -1.26 -0.06 0.00 -0.01 0.00 0.00 57.85 56.51 1t2s n ARG 88 Cb 0.35 -1.61 0.03 0.00 0.00 0.00 0.00 32.46 31.22 1t2s n ARG 88 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1t2s n ASN 89 N 0.32 -3.09 -3.15 0.55 5.15 -0.62 -4.72 115.26 109.70 1t2s n ASN 89 Ca 0.11 -0.26 0.04 0.00 -0.60 0.00 0.00 54.58 53.88 1t2s n ASN 89 Cb 0.51 -2.29 -0.00 0.00 -0.53 0.00 0.00 39.78 37.47 1t2s n ASN 89 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1t2s s TYR 90 N -3.14 -1.75 -0.37 1.20 5.04 -0.19 -4.76 117.35 113.38 1t2s s TYR 90 Ca 0.11 1.02 -0.29 0.00 -2.44 0.00 0.00 57.07 55.46 1t2s s TYR 90 Cb -0.01 0.30 0.02 0.00 0.35 0.00 0.00 41.96 42.62 1t2s s TYR 90 CO 0.28 -1.02 1.10 -1.25 -1.34 0.00 0.00 175.55 173.32 1t2s s PRO 91 N 2.83 3.96 0.32 4.97 0.04 -1.26 -2.33 135.00 143.54 1t2s s PRO 91 Ca 0.12 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 1t2s s PRO 91 Cb -0.09 -3.79 -0.11 0.00 0.04 0.00 0.00 34.50 30.55 1t2s s PRO 91 CO -0.26 -1.05 1.58 -0.51 0.04 0.00 0.00 177.00 176.81 1t2s s LEU 92 N 3.90 4.33 0.11 -3.56 1.43 -1.26 -4.92 118.68 118.71 1t2s s LEU 92 Ca 0.46 3.01 0.05 0.00 -1.03 0.00 0.00 54.13 56.63 1t2s s LEU 92 Cb -0.11 -3.65 -0.22 0.00 0.03 0.00 0.00 46.19 42.24 1t2s s LEU 92 CO 0.20 -0.93 1.25 0.11 0.23 0.00 0.00 176.35 177.21 1t2s h LYS 93 N 4.27 0.04 -0.83 1.70 1.57 -2.00 -3.39 116.57 117.92 1t2s h LYS 93 Ca -0.48 -0.07 -0.36 0.00 -1.87 0.00 0.00 60.65 57.86 1t2s h LYS 93 Cb 1.23 0.03 -0.25 0.00 0.08 0.00 0.00 32.23 33.32 1t2s h LYS 93 CO 0.75 1.03 -0.75 1.97 -0.57 0.00 0.00 179.45 181.88 1t2s n PHE 94 N -3.37 -2.05 0.68 -1.35 1.16 -1.26 -4.53 117.46 106.74 1t2s n PHE 94 Ca -0.02 -2.55 0.08 0.00 -1.87 0.00 0.00 57.45 53.10 1t2s n PHE 94 Cb 0.96 0.77 0.38 0.00 -1.61 0.00 0.00 39.48 39.98 1t2s n PHE 94 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1t2s n PRO 95 N 1.39 0.14 -0.02 3.97 -0.04 -1.26 -2.61 135.00 136.57 1t2s n PRO 95 Ca 0.14 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 1t2s n PRO 95 Cb 0.60 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 33.00 1t2s n PRO 95 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1t2s n GLN 96 N -1.37 1.16 -1.34 0.54 3.00 -1.26 -1.09 117.38 117.02 1t2s n GLN 96 Ca 0.06 -0.25 -0.31 0.00 -0.01 0.00 0.00 57.00 56.49 1t2s n GLN 96 Cb 0.15 -1.28 0.10 0.00 0.00 0.00 0.00 30.24 29.22 1t2s n GLN 96 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1t2s n LEU 97 N -0.50 7.24 -0.74 1.08 4.77 -1.07 -4.54 117.00 123.23 1t2s n LEU 97 Ca 0.13 -4.18 0.10 0.00 -0.03 0.00 0.00 56.01 52.03 1t2s n LEU 97 Cb 0.11 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 1t2s n LEU 97 CO 0.10 1.43 -0.16 1.41 -1.33 0.00 0.00 177.39 178.83 1t2s n HIS 98 N -0.96 -1.87 -4.37 -1.77 8.25 -1.25 -4.86 115.22 108.40 1t2s n HIS 98 Ca 0.60 0.94 -0.26 0.00 -0.26 0.00 0.00 57.72 58.74 1t2s n HIS 98 Cb 0.89 -1.69 -0.12 0.00 1.12 0.00 0.00 29.99 30.18 1t2s n HIS 98 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t2s s LEU 100 N -2.34 4.39 -0.60 0.00 2.96 0.24 -1.19 118.68 122.14 1t2s s LEU 100 Ca 0.15 1.38 -0.12 0.00 -0.22 0.00 0.00 54.13 55.32 1t2s s LEU 100 Cb -0.09 -3.22 0.15 0.00 0.50 0.00 0.00 46.19 43.54 1t2s s LEU 100 CO 0.07 -0.06 0.51 0.21 -1.32 0.00 0.00 176.35 175.76 1t2s s ASN 101 N 0.38 6.09 0.00 3.68 3.84 -0.39 -2.20 114.94 126.34 1t2s s ASN 101 Ca 0.40 -2.15 0.00 0.00 0.21 0.00 0.00 52.86 51.31 1t2s s ASN 101 Cb -0.20 -2.11 0.00 0.00 -0.55 0.00 0.00 41.25 38.39 1t2s s ASN 101 CO 0.22 -0.69 0.00 1.33 -2.79 0.00 0.00 177.10 175.17 1t2s n VAL 102 N 4.66 0.00 0.00 -5.21 0.24 -1.07 -2.68 118.33 114.27 1t2s n VAL 102 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1t2s n VAL 102 Cb 0.42 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 1t2s n VAL 102 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t2s n GLY 103 N 2.74 1.99 3.30 7.63 0.00 -1.26 -2.01 105.19 117.58 1t2s n GLY 103 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 1t2s n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t2s s SER 104 N -4.00 -0.23 0.39 1.61 0.15 -0.41 -4.96 113.70 106.25 1t2s s SER 104 Ca 0.00 -0.10 0.27 0.00 0.70 0.00 0.00 55.95 56.82 1t2s s SER 104 Cb 0.00 0.41 0.84 0.00 -1.71 0.00 0.00 66.02 65.56 1t2s s SER 104 CO 0.00 -0.68 1.77 0.28 1.20 0.00 0.00 173.24 175.81 1t2s h SER 105 N 2.97 0.00 0.01 5.45 0.02 -1.97 -2.90 113.55 117.13 1t2s h SER 105 Ca -0.32 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.26 1t2s h SER 105 Cb 1.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1t2s h SER 105 CO 0.45 0.00 -2.10 -0.38 -1.14 0.00 0.00 176.83 173.66 1t2s n ILE 106 N -2.78 1.55 -3.39 3.27 5.41 -1.26 -4.68 119.36 117.47 1t2s n ILE 106 Ca 0.03 -0.32 -0.44 0.00 1.00 0.00 0.00 62.75 63.01 1t2s n ILE 106 Cb 0.40 -1.86 -0.02 0.00 -0.71 0.00 0.00 39.64 37.44 1t2s n ILE 106 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1t2s s LYS 107 N -2.47 3.72 0.01 0.38 2.20 -1.23 -5.04 119.74 117.30 1t2s s LYS 107 Ca -0.34 -2.82 -0.29 0.00 -0.36 0.00 0.00 55.97 52.16 1t2s s LYS 107 Cb 0.11 -4.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.01 1t2s s LYS 107 CO 0.56 -1.26 0.92 -1.54 -0.36 0.00 0.00 175.35 173.67 1t2s s SER 108 N 1.53 7.32 -0.12 1.43 1.04 -1.09 -1.29 113.70 122.51 1t2s s SER 108 Ca 0.23 1.59 0.02 0.00 0.48 0.00 0.00 55.95 58.28 1t2s s SER 108 Cb -0.11 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 1t2s s SER 108 CO -0.08 -0.20 -0.19 0.27 0.98 0.00 0.00 173.24 174.02 1t2s s ILE 109 N 0.78 2.51 -0.27 -1.02 -4.36 -0.85 -4.95 121.20 113.04 1t2s s ILE 109 Ca 0.48 -0.85 -0.11 0.00 -0.26 0.00 0.00 60.65 59.91 1t2s s ILE 109 Cb -0.21 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.44 1t2s s ILE 109 CO 0.26 0.54 0.20 -0.76 0.24 0.00 0.00 174.94 175.42 1t2s s LEU 110 N 0.40 4.05 0.06 0.37 1.02 -1.25 -2.59 118.68 120.74 1t2s s LEU 110 Ca -0.14 0.06 0.07 0.00 0.02 0.00 0.00 54.13 54.14 1t2s s LEU 110 Cb -0.17 -2.15 -0.03 0.00 0.02 0.00 0.00 46.19 43.87 1t2s s LEU 110 CO 0.07 -0.03 -0.20 -0.76 0.02 0.00 0.00 176.35 175.45 1t2s s LEU 111 N 1.56 2.20 -0.39 1.79 1.43 -0.93 -4.87 118.68 119.48 1t2s s LEU 111 Ca 0.08 -0.56 -0.28 0.00 -1.03 0.00 0.00 54.13 52.34 1t2s s LEU 111 Cb -0.15 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 1t2s s LEU 111 CO 0.09 0.13 2.02 -2.84 0.23 0.00 0.00 176.35 175.97 1t2s s PRO 112 N -1.37 2.93 0.66 1.29 0.02 -1.26 -0.60 135.00 136.67 1t2s s PRO 112 Ca 0.07 1.40 0.36 0.00 0.02 0.00 0.00 61.00 62.85 1t2s s PRO 112 Cb -0.09 -4.34 1.98 0.00 0.02 0.00 0.00 34.50 32.06 1t2s s PRO 112 CO 0.02 -2.34 2.13 0.97 -0.33 0.00 0.00 177.00 177.46 1t2s h ILE 113 N 7.06 0.05 -0.98 2.83 2.10 -1.92 0.14 117.51 126.79 1t2s h ILE 113 Ca -0.32 0.00 0.18 0.00 1.08 0.00 0.00 64.86 65.80 1t2s h ILE 113 Cb 1.20 0.82 -0.10 0.00 -1.09 0.00 0.00 36.82 37.66 1t2s h ILE 113 CO 1.07 0.00 0.61 -0.08 -1.08 0.00 0.00 178.15 178.68 1t2s h GLU 114 N 0.00 0.70 -0.22 2.19 4.81 -1.92 -2.20 114.58 117.93 1t2s h GLU 114 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1t2s h GLU 114 Cb 0.37 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1t2s h GLU 114 CO -0.00 0.46 0.00 1.47 -0.73 0.00 0.00 179.01 180.21 1t2s n LEU 115 N -4.69 3.35 -4.91 1.64 -0.00 0.47 -4.60 117.00 108.25 1t2s n LEU 115 Ca 0.22 -2.77 -0.32 0.00 -0.00 0.00 0.00 56.01 53.14 1t2s n LEU 115 Cb 0.57 -0.43 -0.04 0.00 -0.00 0.00 0.00 43.42 43.52 1t2s n LEU 115 CO 0.24 0.68 -0.13 0.00 -0.00 0.00 0.00 177.39 178.19 1t2s s SER 117 N -2.37 -0.01 0.03 0.00 0.15 -0.88 -0.80 113.70 109.81 1t2s s SER 117 Ca 0.34 0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.81 1t2s s SER 117 Cb -0.13 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.18 1t2s s SER 117 CO 0.26 -0.11 1.05 -0.63 1.20 0.00 0.00 173.24 175.00 1t2s s ILE 118 N 0.86 4.58 -0.26 6.45 1.01 0.51 0.18 121.20 134.53 1t2s s ILE 118 Ca -0.07 1.87 -0.12 0.00 0.00 0.00 0.00 60.65 62.34 1t2s s ILE 118 Cb -0.10 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 1t2s s ILE 118 CO -0.03 0.16 0.22 -0.70 0.00 0.00 0.00 174.94 174.58 1t2s s GLU 119 N 0.94 4.03 0.17 2.79 -6.30 -1.23 -0.01 118.70 119.09 1t2s s GLU 119 Ca 0.54 -0.22 0.26 0.00 -2.50 0.00 0.00 54.97 53.05 1t2s s GLU 119 Cb -0.24 -3.60 0.91 0.00 0.00 0.00 0.00 34.13 31.20 1t2s s GLU 119 CO 0.29 -0.08 1.78 -0.85 0.02 0.00 0.00 175.26 176.42 1t2s n GLU 120 N 4.72 0.19 0.04 4.30 -0.00 -0.89 -1.81 120.64 127.20 1t2s n GLU 120 Ca -0.13 0.21 -0.03 0.00 -0.00 0.00 0.00 57.16 57.21 1t2s n GLU 120 Cb 0.52 -1.74 -0.09 0.00 -0.00 0.00 0.00 31.44 30.12 1t2s n GLU 120 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1t2s h GLY 121 N 4.13 0.00 1.05 -1.84 0.00 -1.88 -3.33 103.07 101.21 1t2s h GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t2s h GLY 121 CO 0.00 0.00 -0.66 -1.06 0.00 0.00 0.00 176.54 174.82 1t2s n GLN 122 N -3.05 0.23 0.00 4.80 1.13 -1.05 -4.68 117.38 114.76 1t2s n GLN 122 Ca -0.09 0.05 0.14 0.00 -1.94 0.00 0.00 57.00 55.17 1t2s n GLN 122 Cb 0.90 -1.63 0.53 0.00 0.11 0.00 0.00 30.24 30.15 1t2s n GLN 122 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62