#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 s GLN 4 N 0.00 3.57 0.09 1.20 0.74 -1.26 -4.68 119.66 119.32 3df3 s GLN 4 Ca 0.00 0.01 0.03 0.00 0.05 0.00 0.00 55.36 55.45 3df3 s GLN 4 Cb 0.00 -2.53 -0.04 0.00 1.10 0.00 0.00 33.01 31.54 3df3 s GLN 4 CO 0.00 0.02 -0.09 0.71 -0.55 0.00 0.00 175.29 175.38 3df3 s TYR 5 N -2.42 1.00 -0.04 1.67 1.51 0.19 -5.01 117.35 114.24 3df3 s TYR 5 Ca 0.45 -0.70 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 3df3 s TYR 5 Cb -0.10 -0.55 0.01 0.00 -0.11 0.00 0.00 41.96 41.20 3df3 s TYR 5 CO 0.37 -0.04 -0.11 -0.47 -1.11 0.00 0.00 175.55 174.20 3df3 s TYR 6 N -2.64 1.20 -0.20 2.71 6.14 -1.26 -0.25 117.35 123.06 3df3 s TYR 6 Ca 0.06 -0.37 -0.03 0.00 0.64 0.00 0.00 57.07 57.38 3df3 s TYR 6 Cb -0.02 -0.87 -0.00 0.00 0.42 0.00 0.00 41.96 41.49 3df3 s TYR 6 CO -0.01 -0.18 -0.07 0.20 0.64 0.00 0.00 175.55 176.13 3df3 s GLY 7 N 0.41 1.57 0.00 8.97 0.00 0.11 -4.56 107.32 113.81 3df3 s GLY 7 Ca -0.08 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.50 3df3 s GLY 7 CO 0.02 0.34 0.00 -1.30 0.00 0.00 0.00 173.10 172.16 3df3 n THR 8 N 4.63 0.00 -1.40 0.90 -2.24 -1.26 0.55 114.28 115.46 3df3 n THR 8 Ca -0.19 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3df3 n THR 8 Cb 0.51 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 3df3 n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df3 n GLY 9 N 1.25 -4.64 3.61 3.38 0.00 -1.26 -3.61 105.19 103.92 3df3 n GLY 9 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 3df3 n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3df3 s ARG 10 N -2.49 0.31 -0.21 1.61 1.70 -1.23 0.64 118.95 119.29 3df3 s ARG 10 Ca 0.00 0.09 -0.28 0.00 -0.47 0.00 0.00 55.73 55.07 3df3 s ARG 10 Cb 0.00 0.15 0.13 0.00 -0.57 0.00 0.00 34.95 34.66 3df3 s ARG 10 CO 0.00 -0.09 1.04 -0.98 -1.08 0.00 0.00 175.30 174.19 3df3 s ARG 11 N -0.98 0.52 -1.01 3.89 1.70 0.29 -4.90 118.95 118.46 3df3 s ARG 11 Ca 0.04 0.27 -0.12 0.00 -0.47 0.00 0.00 55.73 55.45 3df3 s ARG 11 Cb -0.01 0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 34.60 3df3 s ARG 11 CO -0.04 -0.13 0.78 1.63 -1.08 0.00 0.00 175.30 176.46 3df3 n LYS 12 N 1.19 -1.47 -1.16 3.89 5.02 -1.26 -1.44 118.16 122.93 3df3 n LYS 12 Ca -0.10 0.77 -0.09 0.00 -2.02 0.00 0.00 58.31 56.87 3df3 n LYS 12 Cb 0.57 -4.56 -0.04 0.00 -0.02 0.00 0.00 35.03 30.98 3df3 n LYS 12 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3df3 n SER 13 N -2.60 -3.26 -4.18 4.39 3.41 -1.26 -4.00 113.62 106.12 3df3 n SER 13 Ca -0.10 0.23 -0.35 0.00 -0.26 0.00 0.00 58.87 58.39 3df3 n SER 13 Cb 0.59 -2.84 -0.14 0.00 -0.26 0.00 0.00 64.21 61.57 3df3 n SER 13 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3df3 s SER 14 N -1.81 4.94 -0.24 4.04 0.15 -0.52 -0.65 113.70 119.60 3df3 s SER 14 Ca 0.00 -1.28 -0.09 0.00 0.70 0.00 0.00 55.95 55.28 3df3 s SER 14 Cb 0.00 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.54 3df3 s SER 14 CO 0.00 -0.27 0.11 0.00 1.20 0.00 0.00 173.24 174.27 3df3 s ALA 15 N 1.26 3.34 0.37 5.45 0.00 0.19 -0.55 121.76 131.82 3df3 s ALA 15 Ca -0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 3df3 s ALA 15 Cb -0.20 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3df3 s ALA 15 CO -0.01 -0.35 0.62 0.00 0.00 0.00 0.00 175.76 176.02 3df3 s ALA 16 N 1.37 3.59 -0.42 0.00 0.00 0.21 0.43 121.76 126.93 3df3 s ALA 16 Ca 0.06 -0.68 0.10 0.00 0.00 0.00 0.00 51.96 51.44 3df3 s ALA 16 Cb -0.15 -2.31 0.33 0.00 0.00 0.00 0.00 23.12 20.99 3df3 s ALA 16 CO 0.05 -0.03 0.74 0.54 0.00 0.00 0.00 175.76 177.07 3df3 n ARG 17 N -1.63 1.42 -1.26 0.00 5.12 -1.24 -4.42 116.66 114.65 3df3 n ARG 17 Ca -0.02 -3.69 -0.32 0.00 -1.93 0.00 0.00 57.85 51.89 3df3 n ARG 17 Cb 0.55 -1.76 0.10 0.00 -1.16 0.00 0.00 32.46 30.19 3df3 n ARG 17 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3df3 s VAL 18 N -2.63 2.76 -0.41 1.55 1.01 0.19 -0.75 120.40 122.12 3df3 s VAL 18 Ca 0.41 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.72 3df3 s VAL 18 Cb 0.30 -2.69 0.16 0.00 0.00 0.00 0.00 36.38 34.16 3df3 s VAL 18 CO -0.09 -0.28 0.39 -0.36 0.00 0.00 0.00 175.10 174.76 3df3 s PHE 19 N -2.52 0.25 0.02 5.22 0.08 -1.17 0.04 117.98 119.91 3df3 s PHE 19 Ca 0.67 -1.55 -0.30 0.00 0.12 0.00 0.00 56.93 55.87 3df3 s PHE 19 Cb -0.22 -0.59 -0.08 0.00 -0.57 0.00 0.00 43.02 41.55 3df3 s PHE 19 CO 0.51 -0.93 1.92 0.42 -0.10 0.00 0.00 175.22 177.04 3df3 s ILE 20 N 0.72 3.10 -0.09 0.64 1.09 0.66 -1.28 121.20 126.04 3df3 s ILE 20 Ca 0.26 0.13 -0.03 0.00 -1.10 0.00 0.00 60.65 59.90 3df3 s ILE 20 Cb -0.06 -3.08 0.04 0.00 -1.06 0.00 0.00 42.46 38.30 3df3 s ILE 20 CO -0.09 -0.01 0.07 -0.75 -0.10 0.00 0.00 174.94 174.05 3df3 s LYS 21 N 4.39 0.03 -0.88 2.79 2.36 0.73 0.53 119.74 129.69 3df3 s LYS 21 Ca 0.86 0.18 -0.26 0.00 -2.55 0.00 0.00 55.97 54.20 3df3 s LYS 21 Cb -0.41 -1.06 -0.13 0.00 -1.05 0.00 0.00 37.83 35.17 3df3 s LYS 21 CO 0.40 -0.46 2.25 -1.25 1.55 0.00 0.00 175.35 177.84 3df3 s PRO 22 N 2.14 1.75 -0.29 4.03 0.04 -1.26 0.37 135.00 141.77 3df3 s PRO 22 Ca 0.04 0.10 -0.00 0.00 0.04 0.00 0.00 61.00 61.18 3df3 s PRO 22 Cb -0.14 -4.89 0.19 0.00 0.04 0.00 0.00 34.50 29.70 3df3 s PRO 22 CO -0.05 -4.41 0.75 0.20 0.04 0.00 0.00 177.00 173.53 3df3 s GLY 23 N 9.73 -1.13 0.00 0.56 0.00 -1.25 -4.86 107.32 110.37 3df3 s GLY 23 Ca 0.85 1.46 0.00 0.00 0.00 0.00 0.00 44.72 47.04 3df3 s GLY 23 CO 0.08 3.83 0.00 -2.01 0.00 0.00 0.00 173.10 175.00 3df3 n ASN 24 N 5.31 0.00 0.00 1.64 2.85 -1.26 -2.54 115.26 121.27 3df3 n ASN 24 Ca 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 3df3 n ASN 24 Cb 0.55 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.57 3df3 n ASN 24 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3df3 n GLY 25 N 0.00 -1.81 3.96 8.20 0.00 -0.79 0.14 105.19 114.88 3df3 n GLY 25 Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 46.02 46.54 3df3 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df3 s LYS 26 N 0.00 2.78 -0.36 1.61 1.02 -1.26 -3.67 119.74 119.86 3df3 s LYS 26 Ca 0.00 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.45 3df3 s LYS 26 Cb 0.00 -2.48 0.15 0.00 -0.52 0.00 0.00 37.83 34.98 3df3 s LYS 26 CO 0.00 -0.55 0.27 0.42 -0.92 0.00 0.00 175.35 174.56 3df3 s ILE 27 N -2.72 0.03 -0.16 2.17 1.01 -1.26 -2.84 121.20 117.43 3df3 s ILE 27 Ca 0.53 -1.63 0.01 0.00 0.00 0.00 0.00 60.65 59.57 3df3 s ILE 27 Cb -0.10 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.37 3df3 s ILE 27 CO 0.39 -0.91 -0.19 -0.69 0.00 0.00 0.00 174.94 173.53 3df3 s VAL 28 N 1.05 2.22 0.01 2.92 1.01 -1.24 -0.98 120.40 125.39 3df3 s VAL 28 Ca 0.19 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.32 3df3 s VAL 28 Cb -0.18 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3df3 s VAL 28 CO -0.02 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 174.81 3df3 s ILE 29 N 0.99 1.37 -0.81 2.22 1.01 -0.56 -2.23 121.20 123.20 3df3 s ILE 29 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3df3 s ILE 29 Cb -0.15 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.16 3df3 s ILE 29 CO -0.05 0.27 0.00 0.59 0.00 0.00 0.00 174.94 175.74 3df3 n ASN 30 N 2.33 -3.15 -1.44 3.58 5.03 -0.83 0.16 115.26 120.94 3df3 n ASN 30 Ca -0.16 0.27 -0.10 0.00 0.87 0.00 0.00 54.58 55.46 3df3 n ASN 30 Cb 0.54 -2.73 0.02 0.00 -1.02 0.00 0.00 39.78 36.58 3df3 n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3df3 n GLN 31 N -2.67 -2.09 -4.16 3.52 6.02 -1.26 -5.04 117.38 111.69 3df3 n GLN 31 Ca -0.11 0.40 -0.14 0.00 -0.01 0.00 0.00 57.00 57.14 3df3 n GLN 31 Cb 0.57 -4.20 -0.11 0.00 1.02 0.00 0.00 30.24 27.52 3df3 n GLN 31 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3df3 s ARG 32 N -5.01 0.81 0.98 -1.09 0.52 0.12 -5.11 118.95 110.17 3df3 s ARG 32 Ca 0.13 -1.14 -0.12 0.00 -0.52 0.00 0.00 55.73 54.08 3df3 s ARG 32 Cb -0.06 -0.46 0.18 0.00 0.52 0.00 0.00 34.95 35.13 3df3 s ARG 32 CO 0.16 0.06 1.09 0.45 0.02 0.00 0.00 175.30 177.08 3df3 s SER 33 N -2.43 2.73 0.00 0.23 0.15 -1.26 -1.49 113.70 111.63 3df3 s SER 33 Ca 0.05 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.10 3df3 s SER 33 Cb -0.03 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 3df3 s SER 33 CO -0.01 -3.09 0.66 -0.11 1.20 0.00 0.00 173.24 171.89 3df3 n LEU 34 N -4.17 0.00 0.30 3.45 7.94 -0.15 -2.36 117.00 122.01 3df3 n LEU 34 Ca 0.06 0.66 0.18 0.00 -1.11 0.00 0.00 56.01 55.79 3df3 n LEU 34 Cb 0.56 -0.16 0.96 0.00 0.53 0.00 0.00 43.42 45.31 3df3 n LEU 34 CO 0.56 -0.16 1.10 -0.33 -1.11 0.00 0.00 177.39 177.45 3df3 h GLU 35 N 0.00 0.00 0.00 1.96 3.07 -1.87 -2.14 114.58 115.61 3df3 h GLU 35 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3df3 h GLU 35 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3df3 h GLU 35 CO 0.00 0.03 0.00 1.04 -1.40 0.00 0.00 179.01 178.68 3df3 n GLN 36 N -3.41 0.00 0.07 2.33 3.00 -1.08 -0.81 117.38 117.48 3df3 n GLN 36 Ca -0.02 0.63 -0.13 0.00 -0.01 0.00 0.00 57.00 57.47 3df3 n GLN 36 Cb 0.14 -1.48 -0.09 0.00 0.00 0.00 0.00 30.24 28.82 3df3 n GLN 36 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 3df3 h TYR 37 N 0.00 -0.19 -3.55 1.08 3.20 -1.49 -3.40 116.97 112.63 3df3 h TYR 37 Ca 0.00 -0.00 -0.65 0.00 3.14 0.00 0.00 58.73 61.22 3df3 h TYR 37 Cb 0.00 0.06 -0.40 0.00 1.54 0.00 0.00 36.73 37.93 3df3 h TYR 37 CO -0.11 0.20 -0.69 -0.06 -1.64 0.00 0.00 178.16 175.85 3df3 s PHE 38 N -4.39 3.45 0.04 -3.82 2.99 -0.81 -5.09 117.98 110.36 3df3 s PHE 38 Ca -0.14 -3.01 -0.04 0.00 0.00 0.00 0.00 56.93 53.73 3df3 s PHE 38 Cb 0.02 -2.83 -0.02 0.00 0.00 0.00 0.00 43.02 40.20 3df3 s PHE 38 CO 0.59 -0.87 0.06 0.20 -0.00 0.00 0.00 175.22 175.20 3df3 s GLY 39 N 0.49 0.23 -1.20 4.36 0.00 0.01 -3.32 107.32 107.89 3df3 s GLY 39 Ca 0.13 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3df3 s GLY 39 CO -0.06 -0.79 0.00 -2.13 0.00 0.00 0.00 173.10 170.12 3df3 n ARG 40 N 0.75 -2.06 -3.84 2.90 0.63 -1.26 -4.92 116.66 108.87 3df3 n ARG 40 Ca -0.19 0.68 -0.09 0.00 -0.92 0.00 0.00 57.85 57.33 3df3 n ARG 40 Cb 0.58 -5.26 -0.07 0.00 0.45 0.00 0.00 32.46 28.16 3df3 n ARG 40 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3df3 s GLU 41 N -4.86 0.81 0.66 -0.14 2.02 -1.26 -5.02 118.70 110.91 3df3 s GLU 41 Ca 0.00 -0.82 0.28 0.00 0.02 0.00 0.00 54.97 54.44 3df3 s GLU 41 Cb 0.00 0.33 1.51 0.00 0.10 0.00 0.00 34.13 36.07 3df3 s GLU 41 CO 0.00 -0.25 1.85 0.00 0.02 0.00 0.00 175.26 176.88 3df3 h THR 42 N 2.97 0.01 0.00 3.63 1.03 -1.98 -1.82 112.91 116.74 3df3 h THR 42 Ca -0.33 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.07 3df3 h THR 42 Cb 1.20 0.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.89 3df3 h THR 42 CO 0.53 0.00 0.26 0.00 -0.01 0.00 0.00 175.52 176.30 3df3 h ALA 43 N 1.23 1.18 0.00 0.00 0.00 -1.94 -2.60 119.26 117.15 3df3 h ALA 43 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df3 h ALA 43 Cb 0.78 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3df3 h ALA 43 CO -0.00 -0.18 -0.54 0.54 0.00 0.00 0.00 179.25 179.06 3df3 n ARG 44 N -2.15 0.46 -0.34 0.00 1.74 -0.68 -3.70 116.66 111.98 3df3 n ARG 44 Ca -0.01 0.51 0.19 0.00 -0.77 0.00 0.00 57.85 57.77 3df3 n ARG 44 Cb 0.29 -1.68 0.42 0.00 -1.02 0.00 0.00 32.46 30.47 3df3 n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3df3 h MET 45 N -1.00 0.50 0.37 5.56 -0.00 -1.68 -1.02 114.93 117.66 3df3 h MET 45 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.65 3df3 h MET 45 Cb 0.54 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 3df3 h MET 45 CO -0.00 0.33 -0.18 -0.39 -0.00 0.00 0.00 176.91 176.67 3df3 h VAL 46 N 0.51 0.60 0.00 -0.10 -1.51 -1.68 0.29 116.25 114.37 3df3 h VAL 46 Ca 0.65 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 3df3 h VAL 46 Cb 1.35 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 3df3 h VAL 46 CO -0.46 0.09 0.00 -0.37 -1.23 0.00 0.00 177.57 175.60 3df3 h VAL 47 N -0.79 0.00 0.00 7.19 -1.51 -1.43 0.69 116.25 120.39 3df3 h VAL 47 Ca -0.05 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 3df3 h VAL 47 Cb 0.52 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 3df3 h VAL 47 CO 0.08 0.00 -1.00 0.54 -1.23 0.00 0.00 177.57 175.97 3df3 n ARG 48 N -2.32 1.18 -0.23 5.19 1.74 -0.46 -4.58 116.66 117.18 3df3 n ARG 48 Ca -0.01 -0.03 -0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3df3 n ARG 48 Cb 0.04 -1.33 0.07 0.00 -1.02 0.00 0.00 32.46 30.22 3df3 n ARG 48 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3df3 h GLN 49 N 0.00 -0.02 -0.02 5.56 4.20 0.20 0.46 115.11 125.49 3df3 h GLN 49 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3df3 h GLN 49 Cb 0.48 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3df3 h GLN 49 CO 0.00 -0.01 -0.19 -1.00 -0.67 0.00 0.00 178.83 176.96 3df3 h PRO 50 N -0.02 0.03 0.00 1.46 0.13 -1.81 -0.57 132.00 131.23 3df3 h PRO 50 Ca 0.32 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 3df3 h PRO 50 Cb 0.51 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3df3 h PRO 50 CO -0.71 0.22 0.00 -0.07 -0.23 0.00 0.00 178.00 177.21 3df3 h LEU 51 N 0.03 0.00 0.00 1.56 3.38 -0.43 -2.70 115.31 117.15 3df3 h LEU 51 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3df3 h LEU 51 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3df3 h LEU 51 CO 0.03 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 3df3 n GLU 52 N -2.46 0.88 0.00 1.13 -0.58 -0.22 -0.13 120.64 119.25 3df3 n GLU 52 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3df3 n GLU 52 Cb 0.29 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 3df3 n GLU 52 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3df3 n LEU 53 N -0.58 0.00 0.00 -4.62 7.99 -1.02 -4.81 117.00 113.96 3df3 n LEU 53 Ca 0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 3df3 n LEU 53 Cb 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 3df3 n LEU 53 CO 0.02 0.00 -0.25 1.33 -1.51 0.00 0.00 177.39 176.99 3df3 n VAL 54 N -0.35 0.00 -0.99 4.08 0.24 -1.13 -5.14 118.33 115.05 3df3 n VAL 54 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 3df3 n VAL 54 Cb 0.00 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 3df3 n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3df3 n ASP 55 N -1.19 -5.57 0.00 -1.34 10.43 0.81 -5.00 116.55 114.69 3df3 n ASP 55 Ca 0.00 0.92 0.00 0.00 2.57 0.00 0.00 54.79 58.28 3df3 n ASP 55 Cb 0.00 -2.69 0.00 0.00 1.84 0.00 0.00 41.12 40.27 3df3 n ASP 55 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28 3df3 n MET 56 N -1.40 0.00 0.00 -1.24 0.00 -1.26 -4.46 117.12 108.76 3df3 n MET 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3df3 n MET 56 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.33 3df3 n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3df3 n VAL 57 N 0.00 0.00 -1.66 3.17 0.31 -1.04 -3.36 118.33 115.76 3df3 n VAL 57 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 3df3 n VAL 57 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 3df3 n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3df3 n GLU 58 N 0.00 0.95 0.00 5.55 0.00 -0.73 -1.89 120.64 124.52 3df3 n GLU 58 Ca 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 57.16 54.69 3df3 n GLU 58 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 31.44 30.33 3df3 n GLU 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3df3 n LYS 59 N -0.75 0.00 -3.58 3.44 4.76 0.27 -4.81 118.16 117.49 3df3 n LYS 59 Ca 0.13 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.51 3df3 n LYS 59 Cb 0.76 -0.33 -0.02 0.00 -1.84 0.00 0.00 35.03 33.60 3df3 n LYS 59 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 3df3 s LEU 60 N -5.12 -0.19 0.11 -0.35 2.34 0.36 -3.79 118.68 112.05 3df3 s LEU 60 Ca 0.00 0.01 0.08 0.00 0.06 0.00 0.00 54.13 54.28 3df3 s LEU 60 Cb 0.00 1.52 -0.04 0.00 -0.56 0.00 0.00 46.19 47.12 3df3 s LEU 60 CO 0.00 -0.31 -0.20 1.51 -1.06 0.00 0.00 176.35 176.29 3df3 s ASP 61 N -2.20 2.52 0.30 1.48 -4.77 0.16 -3.27 116.67 110.89 3df3 s ASP 61 Ca 0.08 -0.72 0.10 0.00 -3.30 0.00 0.00 52.55 48.71 3df3 s ASP 61 Cb -0.01 -0.14 -0.05 0.00 -1.09 0.00 0.00 42.92 41.63 3df3 s ASP 61 CO -0.05 0.03 -0.08 -0.76 0.70 0.00 0.00 175.17 175.00 3df3 s LEU 62 N -2.08 2.88 -0.59 2.11 2.01 -1.13 -0.19 118.68 121.69 3df3 s LEU 62 Ca 0.08 -0.92 0.05 0.00 0.01 0.00 0.00 54.13 53.35 3df3 s LEU 62 Cb -0.09 -1.34 0.18 0.00 0.01 0.00 0.00 46.19 44.96 3df3 s LEU 62 CO 0.05 -0.06 0.47 0.00 1.01 0.00 0.00 176.35 177.81 3df3 n TYR 63 N -0.80 1.70 -2.35 0.29 9.36 -0.40 -3.67 117.16 121.30 3df3 n TYR 63 Ca -0.05 -3.93 -0.32 0.00 3.32 0.00 0.00 57.90 56.93 3df3 n TYR 63 Cb 0.61 -0.31 -0.03 0.00 -0.63 0.00 0.00 39.34 38.98 3df3 n TYR 63 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3df3 s ILE 64 N -1.03 4.59 -0.42 2.97 1.09 -0.95 -3.06 121.20 124.40 3df3 s ILE 64 Ca 0.29 1.09 0.09 0.00 -1.10 0.00 0.00 60.65 61.02 3df3 s ILE 64 Cb 0.01 -3.75 0.32 0.00 -1.06 0.00 0.00 42.46 37.98 3df3 s ILE 64 CO -0.16 -0.76 0.89 0.41 -0.10 0.00 0.00 174.94 175.21 3df3 n THR 65 N -1.77 -0.13 -2.32 2.92 -1.04 0.07 -1.97 114.28 110.04 3df3 n THR 65 Ca 0.06 -3.02 -0.36 0.00 -2.04 0.00 0.00 64.05 58.69 3df3 n THR 65 Cb 0.54 0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 69.51 3df3 n THR 65 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3df3 s VAL 66 N -0.96 3.27 0.11 12.58 0.11 -1.26 -3.68 120.40 130.56 3df3 s VAL 66 Ca 0.32 0.86 -0.09 0.00 -2.93 0.00 0.00 61.98 60.13 3df3 s VAL 66 Cb 0.30 -3.39 -0.00 0.00 -1.53 0.00 0.00 36.38 31.76 3df3 s VAL 66 CO -0.08 -0.10 0.24 -0.54 -3.33 0.00 0.00 175.10 171.28 3df3 s LYS 67 N -3.01 0.96 0.06 1.54 1.02 0.17 -4.81 119.74 115.66 3df3 s LYS 67 Ca 0.68 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.66 3df3 s LYS 67 Cb -0.24 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 3df3 s LYS 67 CO 0.29 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 3df3 n GLY 68 N -0.12 -2.29 7.00 -3.33 0.00 -1.26 0.56 105.19 105.75 3df3 n GLY 68 Ca -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3df3 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df3 n GLY 69 N -2.51 0.06 0.00 -0.02 0.00 0.18 -4.26 105.19 98.65 3df3 n GLY 69 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3df3 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df3 n GLY 70 N 0.00 5.92 0.00 -0.02 0.00 -1.26 -4.89 105.19 104.94 3df3 n GLY 70 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3df3 n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df3 n ILE 71 N 0.00 0.00 -0.04 -0.61 -0.00 -1.26 -0.19 119.36 117.26 3df3 n ILE 71 Ca 0.00 1.05 0.24 0.00 -0.00 0.00 0.00 62.75 64.04 3df3 n ILE 71 Cb 0.00 -1.95 0.70 0.00 -0.00 0.00 0.00 39.64 38.40 3df3 n ILE 71 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 3df3 h SER 72 N 0.00 0.00 -0.08 4.38 4.64 -1.98 0.22 113.55 120.72 3df3 h SER 72 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3df3 h SER 72 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3df3 h SER 72 CO 0.00 0.00 -0.15 1.23 -0.87 0.00 0.00 176.83 177.04 3df3 h GLY 73 N 0.00 0.27 0.70 -0.77 0.00 -1.87 -1.64 103.07 99.76 3df3 h GLY 73 Ca 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3df3 h GLY 73 CO -0.00 0.28 -0.27 1.46 0.00 0.00 0.00 176.54 178.01 3df3 h GLN 74 N -0.21 -0.73 -0.39 4.80 4.20 0.25 -1.40 115.11 121.62 3df3 h GLN 74 Ca 0.01 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.85 3df3 h GLN 74 Cb 0.72 0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.58 3df3 h GLN 74 CO 0.03 -0.43 -0.24 0.00 -0.67 0.00 0.00 178.83 177.53 3df3 h ALA 75 N -0.88 0.01 -0.54 3.87 0.00 -1.18 0.65 119.26 121.18 3df3 h ALA 75 Ca -0.08 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3df3 h ALA 75 Cb 0.64 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3df3 h ALA 75 CO 0.13 -0.62 0.36 0.78 0.00 0.00 0.00 179.25 179.90 3df3 h GLY 76 N -0.17 0.75 1.07 0.00 0.00 -1.34 -2.06 103.07 101.32 3df3 h GLY 76 Ca 0.19 -0.28 -0.21 0.00 0.00 0.00 0.00 47.33 47.03 3df3 h GLY 76 CO -0.49 0.27 -0.75 0.00 0.00 0.00 0.00 176.54 175.57 3df3 h ALA 77 N 1.67 0.22 -0.16 3.60 0.00 0.18 -3.27 119.26 121.50 3df3 h ALA 77 Ca 0.20 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.55 3df3 h ALA 77 Cb -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3df3 h ALA 77 CO -0.05 0.58 -0.01 0.82 0.00 0.00 0.00 179.25 180.59 3df3 h ILE 78 N 0.35 0.88 -0.79 0.00 2.04 0.66 -1.21 117.51 119.45 3df3 h ILE 78 Ca -0.07 -0.01 0.22 0.00 1.00 0.00 0.00 64.86 66.00 3df3 h ILE 78 Cb 1.39 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 3df3 h ILE 78 CO 0.15 0.01 0.56 -0.09 0.00 0.00 0.00 178.15 178.78 3df3 h ARG 79 N 0.04 0.03 0.10 2.37 2.43 -1.46 -0.99 114.38 116.89 3df3 h ARG 79 Ca 0.07 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3df3 h ARG 79 Cb 0.10 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3df3 h ARG 79 CO -0.13 0.02 -0.05 1.25 -1.51 0.00 0.00 179.97 179.55 3df3 h HIS 80 N 0.03 -0.12 -0.96 2.20 2.76 -1.27 -1.31 115.15 116.49 3df3 h HIS 80 Ca 0.38 -0.00 0.23 0.00 -2.20 0.00 0.00 60.37 58.77 3df3 h HIS 80 Cb 1.46 0.04 -0.12 0.00 1.55 0.00 0.00 27.41 30.34 3df3 h HIS 80 CO -0.00 -0.08 0.52 0.78 -1.30 0.00 0.00 177.93 177.85 3df3 h GLY 81 N -0.16 1.74 0.61 5.26 0.00 -1.28 0.66 103.07 109.89 3df3 h GLY 81 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3df3 h GLY 81 CO 0.02 -0.23 -0.37 -2.22 0.00 0.00 0.00 176.54 173.74 3df3 h ILE 82 N 0.53 0.00 0.00 2.60 2.04 -1.21 0.19 117.51 121.66 3df3 h ILE 82 Ca 0.60 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.43 3df3 h ILE 82 Cb 1.12 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3df3 h ILE 82 CO -0.48 0.00 -0.14 0.00 0.00 0.00 0.00 178.15 177.53 3df3 h THR 83 N -0.92 1.00 0.24 -0.27 1.03 -0.49 -0.72 112.91 112.78 3df3 h THR 83 Ca -0.08 -0.48 -0.01 0.00 -0.01 0.00 0.00 66.41 65.82 3df3 h THR 83 Cb 0.73 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 69.08 3df3 h THR 83 CO 0.08 0.13 -0.12 0.03 -0.01 0.00 0.00 175.52 175.64 3df3 h ARG 84 N 0.00 -0.31 0.00 0.00 3.08 0.59 -3.20 114.38 114.54 3df3 h ARG 84 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3df3 h ARG 84 Cb 0.26 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3df3 h ARG 84 CO 0.02 -0.21 0.00 0.00 -1.07 0.00 0.00 179.97 178.71 3df3 h ALA 85 N -1.63 1.00 -0.05 0.04 0.00 -0.65 -1.51 119.26 116.47 3df3 h ALA 85 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3df3 h ALA 85 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3df3 h ALA 85 CO 0.05 0.00 0.28 1.25 0.00 0.00 0.00 179.25 180.83 3df3 h LEU 86 N 0.00 0.00 -0.44 0.00 5.85 -1.11 0.67 115.31 120.28 3df3 h LEU 86 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3df3 h LEU 86 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3df3 h LEU 86 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 3df3 h MET 87 N 0.00 0.00 -0.14 1.25 -0.00 -1.41 -2.91 114.93 111.72 3df3 h MET 87 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.65 3df3 h MET 87 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.17 3df3 h MET 87 CO -0.00 0.00 -0.23 0.93 -0.00 0.00 0.00 176.91 177.61 3df3 h GLU 88 N 0.00 0.24 -0.00 -0.10 5.08 0.14 -1.34 114.58 118.60 3df3 h GLU 88 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3df3 h GLU 88 Cb 0.57 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3df3 h GLU 88 CO 0.00 0.46 -0.40 0.98 -1.00 0.00 0.00 179.01 179.05 3df3 n TYR 89 N -4.18 0.00 -3.16 4.33 9.36 -1.10 -4.81 117.16 117.59 3df3 n TYR 89 Ca -0.01 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.26 3df3 n TYR 89 Cb 0.34 -0.29 -0.02 0.00 -0.63 0.00 0.00 39.34 38.74 3df3 n TYR 89 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3df3 s ASP 90 N -2.98 -0.13 0.00 2.98 3.68 -0.56 -5.02 116.67 114.63 3df3 s ASP 90 Ca 0.12 0.10 0.15 0.00 2.13 0.00 0.00 52.55 55.06 3df3 s ASP 90 Cb 0.18 1.12 0.83 0.00 -1.45 0.00 0.00 42.92 43.59 3df3 s ASP 90 CO 0.66 -0.02 1.54 -0.62 0.13 0.00 0.00 175.17 176.86 3df3 n GLU 91 N 5.26 1.14 -0.05 4.34 -0.58 -0.84 -3.55 120.64 126.34 3df3 n GLU 91 Ca -0.08 -0.21 -0.09 0.00 -0.42 0.00 0.00 57.16 56.36 3df3 n GLU 91 Cb 0.55 -1.25 -0.15 0.00 -0.57 0.00 0.00 31.44 30.02 3df3 n GLU 91 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3df3 n SER 92 N -0.53 0.53 0.00 1.62 7.64 -1.26 -4.12 113.62 117.49 3df3 n SER 92 Ca 0.12 0.25 0.02 0.00 1.01 0.00 0.00 58.87 60.27 3df3 n SER 92 Cb 0.10 0.37 0.10 0.00 -1.01 0.00 0.00 64.21 63.77 3df3 n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3df3 n LEU 93 N -2.92 0.00 0.05 -3.43 -0.00 -1.23 -3.25 117.00 106.22 3df3 n LEU 93 Ca -0.23 0.46 -0.14 0.00 -0.00 0.00 0.00 56.01 56.10 3df3 n LEU 93 Cb 1.09 -0.46 -0.09 0.00 -0.00 0.00 0.00 43.42 43.96 3df3 n LEU 93 CO 0.44 -0.39 0.51 0.03 -0.00 0.00 0.00 177.39 177.98 3df3 h ARG 94 N 0.00 -0.57 -0.83 1.47 2.47 -1.80 0.41 114.38 115.54 3df3 h ARG 94 Ca 0.00 0.04 0.20 0.00 -1.26 0.00 0.00 59.98 58.96 3df3 h ARG 94 Cb 0.07 0.13 -0.14 0.00 -1.65 0.00 0.00 29.97 28.38 3df3 h ARG 94 CO 0.00 -0.38 0.07 1.03 0.56 0.00 0.00 179.97 181.25 3df3 h SER 95 N -0.59 -0.28 -0.04 7.04 0.87 -1.87 0.38 113.55 119.06 3df3 h SER 95 Ca 0.01 0.21 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 3df3 h SER 95 Cb 0.63 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 3df3 h SER 95 CO -0.31 -0.20 -0.40 -0.33 -0.53 0.00 0.00 176.83 175.06 3df3 h GLU 96 N 0.12 0.56 0.53 2.24 4.39 -1.55 -0.31 114.58 120.56 3df3 h GLU 96 Ca 0.48 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 3df3 h GLU 96 Cb 0.90 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.56 3df3 h GLU 96 CO -0.70 0.87 -0.26 -0.07 -1.16 0.00 0.00 179.01 177.69 3df3 h LEU 97 N 0.46 -0.61 -1.35 1.33 3.38 0.33 -3.25 115.31 115.61 3df3 h LEU 97 Ca 0.04 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3df3 h LEU 97 Cb 0.90 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3df3 h LEU 97 CO 0.08 -0.20 0.44 -0.09 0.09 0.00 0.00 178.44 178.76 3df3 h ARG 98 N -1.15 0.86 -0.32 1.13 2.43 -0.52 -1.35 114.38 115.46 3df3 h ARG 98 Ca -0.07 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3df3 h ARG 98 Cb 0.58 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3df3 h ARG 98 CO 0.12 0.57 0.50 -0.22 -1.51 0.00 0.00 179.97 179.44 3df3 h LYS 99 N 0.89 0.00 -0.48 0.20 3.64 -1.08 0.31 116.57 120.05 3df3 h LYS 99 Ca 0.25 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.29 3df3 h LYS 99 Cb -0.08 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 31.49 3df3 h LYS 99 CO -0.06 0.00 -0.51 0.00 -2.27 0.00 0.00 179.45 176.62 3df3 n ALA 100 N -2.15 4.60 -3.36 5.00 0.00 -0.53 -4.99 120.51 119.08 3df3 n ALA 100 Ca 0.06 -3.53 -0.13 0.00 0.00 0.00 0.00 53.44 49.83 3df3 n ALA 100 Cb 0.64 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3df3 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df3 n GLY 101 N -0.91 -1.16 1.25 0.00 0.00 0.11 -4.97 105.19 99.51 3df3 n GLY 101 Ca 0.36 0.66 0.00 0.00 0.00 0.00 0.00 46.02 47.04 3df3 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df3 n PHE 102 N -1.82 -0.27 0.22 1.61 0.99 -1.13 -4.79 117.46 112.27 3df3 n PHE 102 Ca -0.12 0.05 0.06 0.00 -0.00 0.00 0.00 57.45 57.44 3df3 n PHE 102 Cb 0.59 0.13 0.55 0.00 -1.00 0.00 0.00 39.48 39.74 3df3 n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 3df3 h VAL 103 N 0.00 1.08 -4.02 -4.37 -1.51 -1.87 -3.44 116.25 102.12 3df3 h VAL 103 Ca 0.00 -0.36 -0.53 0.00 -1.23 0.00 0.00 66.70 64.58 3df3 h VAL 103 Cb 0.44 1.15 0.11 0.00 -2.13 0.00 0.00 31.29 30.86 3df3 h VAL 103 CO 0.00 0.11 0.58 0.42 -1.23 0.00 0.00 177.57 177.44 3df3 s THR 104 N -4.86 2.43 -0.31 7.19 -4.23 -1.26 -5.00 115.64 109.59 3df3 s THR 104 Ca -0.05 0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.78 3df3 s THR 104 Cb 0.16 -3.17 0.06 0.00 1.34 0.00 0.00 72.50 70.89 3df3 s THR 104 CO 0.69 0.00 0.02 -0.60 -0.54 0.00 0.00 174.62 174.20 3df3 s ARG 105 N -2.76 2.32 -0.70 3.99 3.00 -1.26 -5.04 118.95 118.50 3df3 s ARG 105 Ca 0.67 -1.37 -0.26 0.00 -1.00 0.00 0.00 55.73 53.77 3df3 s ARG 105 Cb -0.37 -3.22 -0.12 0.00 0.00 0.00 0.00 34.95 31.24 3df3 s ARG 105 CO 0.44 -0.69 2.42 -3.47 0.00 0.00 0.00 175.30 174.00 3df3 n ASP 106 N 4.59 1.96 -4.09 -2.12 4.64 -1.26 -4.83 116.55 115.43 3df3 n ASP 106 Ca -0.11 -1.20 -0.39 0.00 -1.38 0.00 0.00 54.79 51.71 3df3 n ASP 106 Cb 0.43 -1.64 -0.04 0.00 -1.04 0.00 0.00 41.12 38.83 3df3 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3df3 n ALA 107 N 17.93 3.29 -2.80 -1.67 0.00 -1.26 -4.80 120.51 131.20 3df3 n ALA 107 Ca 0.44 -3.42 -0.15 0.00 0.00 0.00 0.00 53.44 50.31 3df3 n ALA 107 Cb 0.46 -3.57 -0.12 0.00 0.00 0.00 0.00 19.45 16.22 3df3 n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3df3 s ARG 108 N 4.99 0.59 0.28 0.00 0.52 -1.26 -5.14 118.95 118.93 3df3 s ARG 108 Ca 0.58 -0.67 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 3df3 s ARG 108 Cb 0.08 -0.44 0.05 0.00 0.52 0.00 0.00 34.95 35.16 3df3 s ARG 108 CO 0.08 0.10 0.74 0.94 0.02 0.00 0.00 175.30 177.17 3df3 n GLN 109 N 1.77 0.84 -1.62 3.54 0.00 -1.26 -4.01 117.38 116.63 3df3 n GLN 109 Ca -0.20 -1.69 -0.39 0.00 -0.00 0.00 0.00 57.00 54.72 3df3 n GLN 109 Cb 0.55 2.16 0.04 0.00 0.00 0.00 0.00 30.24 32.99 3df3 n GLN 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3df3 n VAL 110 N -0.50 3.30 -3.21 1.69 0.31 -1.26 -4.95 118.33 113.71 3df3 n VAL 110 Ca -0.06 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.36 3df3 n VAL 110 Cb 0.50 -1.19 -0.07 0.00 -0.91 0.00 0.00 33.84 32.16 3df3 n VAL 110 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3df3 s GLU 111 N -2.54 3.84 -0.30 5.55 2.56 -1.26 -4.99 118.70 121.55 3df3 s GLU 111 Ca 0.71 0.11 -0.35 0.00 0.00 0.00 0.00 54.97 55.45 3df3 s GLU 111 Cb -0.45 -3.74 -0.11 0.00 2.00 0.00 0.00 34.13 31.83 3df3 s GLU 111 CO 0.50 -0.53 2.12 2.89 -0.56 0.00 0.00 175.26 179.68 3df3 n ARG 112 N 5.71 1.27 -1.65 4.30 1.85 -1.26 -4.76 116.66 122.12 3df3 n ARG 112 Ca -0.04 0.38 -0.45 0.00 -1.00 0.00 0.00 57.85 56.74 3df3 n ARG 112 Cb 0.49 -2.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.36 3df3 n ARG 112 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3df3 n LYS 113 N 7.81 2.38 -2.84 2.89 4.81 -1.26 -4.75 118.16 127.20 3df3 n LYS 113 Ca 0.37 0.84 -0.30 0.00 -0.87 0.00 0.00 58.31 58.35 3df3 n LYS 113 Cb 0.24 -2.86 -0.03 0.00 0.02 0.00 0.00 35.03 32.40 3df3 n LYS 113 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3df3 s LYS 114 N 4.64 3.80 0.17 1.64 3.01 -1.26 -4.88 119.74 126.86 3df3 s LYS 114 Ca 0.93 0.51 -0.30 0.00 -1.01 0.00 0.00 55.97 56.10 3df3 s LYS 114 Cb -0.55 -2.38 -0.08 0.00 -1.01 0.00 0.00 37.83 33.81 3df3 s LYS 114 CO 0.46 -0.04 1.21 0.54 0.51 0.00 0.00 175.35 178.02 3df3 s VAL 115 N -2.37 3.60 0.00 3.17 0.11 -1.26 -2.87 120.40 120.78 3df3 s VAL 115 Ca 0.52 1.31 0.00 0.00 -2.93 0.00 0.00 61.98 60.88 3df3 s VAL 115 Cb -0.10 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.91 3df3 s VAL 115 CO 0.31 0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 3df3 n GLY 116 N 2.37 2.93 3.85 6.54 0.00 -1.26 -5.06 105.19 114.56 3df3 n GLY 116 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3df3 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df3 s LEU 117 N 0.00 3.95 0.13 0.99 1.43 -1.14 -4.75 118.68 119.29 3df3 s LEU 117 Ca 0.00 -0.11 0.23 0.00 -1.03 0.00 0.00 54.13 53.21 3df3 s LEU 117 Cb 0.00 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 3df3 s LEU 117 CO 0.00 0.00 0.98 -1.14 0.23 0.00 0.00 176.35 176.42 3df3 n ARG 118 N -0.87 0.52 -2.76 1.70 0.63 -0.50 -4.58 116.66 110.81 3df3 n ARG 118 Ca -0.08 0.04 -0.09 0.00 -0.92 0.00 0.00 57.85 56.80 3df3 n ARG 118 Cb 0.56 -1.72 0.08 0.00 0.45 0.00 0.00 32.46 31.83 3df3 n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3df3 n LYS 119 N -2.42 1.12 -0.45 -0.14 4.81 -1.25 -4.95 118.16 114.87 3df3 n LYS 119 Ca 0.00 -2.33 0.00 0.00 -0.87 0.00 0.00 58.31 55.11 3df3 n LYS 119 Cb 0.52 -0.73 0.00 0.00 0.02 0.00 0.00 35.03 34.84 3df3 n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df3 n ALA 120 N -0.15 0.00 0.00 3.14 0.00 -1.26 -3.81 120.51 118.43 3df3 n ALA 120 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3df3 n ALA 120 Cb 0.78 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.37 3df3 n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df3 n ARG 121 N -1.23 0.00 -1.60 0.00 5.12 -1.26 -4.66 116.66 113.02 3df3 n ARG 121 Ca 0.00 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.48 3df3 n ARG 121 Cb 0.04 -0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.30 3df3 n ARG 121 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3df3 n ARG 122 N -2.43 2.09 -3.26 5.56 0.63 -1.25 -4.88 116.66 113.11 3df3 n ARG 122 Ca 0.00 0.65 -0.39 0.00 -0.92 0.00 0.00 57.85 57.20 3df3 n ARG 122 Cb 0.00 -3.03 -0.06 0.00 0.45 0.00 0.00 32.46 29.82 3df3 n ARG 122 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3df3 s ARG 123 N 5.67 4.29 0.20 -0.14 0.52 -1.26 -1.41 118.95 126.82 3df3 s ARG 123 Ca 0.98 0.48 -0.32 0.00 -0.52 0.00 0.00 55.73 56.35 3df3 s ARG 123 Cb -0.46 -3.49 -0.12 0.00 0.52 0.00 0.00 34.95 31.40 3df3 s ARG 123 CO 0.40 0.03 1.72 -0.35 0.02 0.00 0.00 175.30 177.12 3df3 n PRO 124 N 4.13 2.73 -1.83 3.54 -0.04 -1.26 -4.90 135.00 137.37 3df3 n PRO 124 Ca -0.06 0.98 -0.42 0.00 -0.04 0.00 0.00 63.50 63.97 3df3 n PRO 124 Cb 0.51 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.11 3df3 n PRO 124 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3df3 s GLN 125 N 1.24 4.17 -0.18 0.54 -2.07 -1.26 -4.91 119.66 117.18 3df3 s GLN 125 Ca 0.76 2.49 0.05 0.00 -1.82 0.00 0.00 55.36 56.84 3df3 s GLN 125 Cb -0.52 -3.10 -0.15 0.00 -1.09 0.00 0.00 33.01 28.15 3df3 s GLN 125 CO 0.33 -0.67 -0.10 1.97 -1.32 0.00 0.00 175.29 175.50 3df3 n PHE 126 N 3.76 0.00 0.00 9.60 1.16 -1.26 -4.97 117.46 125.76 3df3 n PHE 126 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 3df3 n PHE 126 Cb 0.37 -0.76 0.00 0.00 -1.61 0.00 0.00 39.48 37.48 3df3 n PHE 126 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 3df3 n SER 127 N -2.92 0.00 -4.51 5.98 3.41 -1.26 -4.61 113.62 109.71 3df3 n SER 127 Ca -0.32 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 57.80 3df3 n SER 127 Cb 0.91 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.80 3df3 n SER 127 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3df3 n LYS 128 N 0.00 1.39 0.00 4.33 3.00 -1.26 -5.35 118.16 120.27 3df3 n LYS 128 Ca 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 3df3 n LYS 128 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 35.03 32.38 3df3 n LYS 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94