#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 s GLN 4 N 0.00 3.53 0.06 1.20 0.74 -1.26 -4.68 119.66 119.25 3df1 s GLN 4 Ca 0.00 -0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.41 3df1 s GLN 4 Cb 0.00 -2.51 -0.03 0.00 1.10 0.00 0.00 33.01 31.57 3df1 s GLN 4 CO 0.00 -0.03 -0.08 0.71 -0.55 0.00 0.00 175.29 175.34 3df1 s TYR 5 N -2.53 0.78 -0.05 1.67 1.51 0.17 -5.01 117.35 113.90 3df1 s TYR 5 Ca 0.44 -0.64 0.03 0.00 -1.01 0.00 0.00 57.07 55.89 3df1 s TYR 5 Cb -0.10 -0.46 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 3df1 s TYR 5 CO 0.40 -0.10 -0.14 -0.47 -1.11 0.00 0.00 175.55 174.14 3df1 s TYR 6 N -2.16 1.50 -0.21 2.71 6.14 -1.26 0.14 117.35 124.21 3df1 s TYR 6 Ca -0.02 -0.49 -0.03 0.00 0.64 0.00 0.00 57.07 57.17 3df1 s TYR 6 Cb -0.05 -1.06 -0.01 0.00 0.42 0.00 0.00 41.96 41.27 3df1 s TYR 6 CO -0.01 -0.21 -0.06 0.20 0.64 0.00 0.00 175.55 176.10 3df1 s GLY 7 N 0.36 1.59 0.00 8.97 0.00 0.11 -4.57 107.32 113.77 3df1 s GLY 7 Ca -0.09 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3df1 s GLY 7 CO 0.03 0.37 0.00 -1.30 0.00 0.00 0.00 173.10 172.20 3df1 n THR 8 N 4.69 0.00 -1.28 0.90 -2.24 -1.26 0.51 114.28 115.60 3df1 n THR 8 Ca -0.18 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3df1 n THR 8 Cb 0.51 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 3df1 n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df1 n GLY 9 N 1.20 -4.52 3.62 3.38 0.00 -1.26 -3.64 105.19 103.97 3df1 n GLY 9 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 3df1 n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3df1 s ARG 10 N -2.72 0.26 -0.22 1.61 1.70 -1.23 0.59 118.95 118.93 3df1 s ARG 10 Ca 0.00 0.08 -0.28 0.00 -0.47 0.00 0.00 55.73 55.06 3df1 s ARG 10 Cb 0.00 0.12 0.13 0.00 -0.57 0.00 0.00 34.95 34.64 3df1 s ARG 10 CO 0.00 -0.08 1.07 -0.98 -1.08 0.00 0.00 175.30 174.23 3df1 s ARG 11 N -0.98 0.48 -1.03 3.89 1.70 0.29 -4.90 118.95 118.42 3df1 s ARG 11 Ca 0.05 0.29 -0.11 0.00 -0.47 0.00 0.00 55.73 55.48 3df1 s ARG 11 Cb -0.01 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.57 3df1 s ARG 11 CO -0.05 -0.12 0.81 1.63 -1.08 0.00 0.00 175.30 176.50 3df1 n LYS 12 N 1.31 -1.58 -1.11 3.89 5.02 -1.26 -1.58 118.16 122.85 3df1 n LYS 12 Ca -0.10 0.77 -0.08 0.00 -2.02 0.00 0.00 58.31 56.88 3df1 n LYS 12 Cb 0.57 -4.81 -0.04 0.00 -0.02 0.00 0.00 35.03 30.73 3df1 n LYS 12 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3df1 n SER 13 N -2.71 -3.46 -4.21 4.39 3.41 -1.26 -3.99 113.62 105.79 3df1 n SER 13 Ca -0.09 0.21 -0.36 0.00 -0.26 0.00 0.00 58.87 58.37 3df1 n SER 13 Cb 0.59 -2.87 -0.13 0.00 -0.26 0.00 0.00 64.21 61.54 3df1 n SER 13 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3df1 s SER 14 N -1.78 4.94 -0.24 4.04 0.15 -0.61 -0.78 113.70 119.41 3df1 s SER 14 Ca 0.00 -1.16 -0.08 0.00 0.70 0.00 0.00 55.95 55.41 3df1 s SER 14 Cb 0.00 -1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 3df1 s SER 14 CO 0.00 -0.26 0.09 0.00 1.20 0.00 0.00 173.24 174.28 3df1 s ALA 15 N 1.31 3.29 0.34 5.45 0.00 0.21 -0.55 121.76 131.82 3df1 s ALA 15 Ca -0.03 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 3df1 s ALA 15 Cb -0.19 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 3df1 s ALA 15 CO -0.00 -0.35 0.59 0.00 0.00 0.00 0.00 175.76 176.00 3df1 s ALA 16 N 1.36 3.60 -0.43 0.00 0.00 0.20 0.52 121.76 127.01 3df1 s ALA 16 Ca 0.06 -0.65 0.10 0.00 0.00 0.00 0.00 51.96 51.47 3df1 s ALA 16 Cb -0.15 -2.30 0.33 0.00 0.00 0.00 0.00 23.12 21.00 3df1 s ALA 16 CO 0.05 0.06 0.75 0.54 0.00 0.00 0.00 175.76 177.16 3df1 n ARG 17 N -1.41 1.51 -1.23 0.00 5.12 -1.24 -4.40 116.66 115.02 3df1 n ARG 17 Ca -0.02 -3.75 -0.32 0.00 -1.93 0.00 0.00 57.85 51.83 3df1 n ARG 17 Cb 0.55 -1.79 0.10 0.00 -1.16 0.00 0.00 32.46 30.17 3df1 n ARG 17 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3df1 s VAL 18 N -2.71 2.78 -0.40 1.55 1.01 0.18 -0.74 120.40 122.08 3df1 s VAL 18 Ca 0.41 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.72 3df1 s VAL 18 Cb 0.30 -2.68 0.16 0.00 0.00 0.00 0.00 36.38 34.17 3df1 s VAL 18 CO -0.09 -0.29 0.39 -0.36 0.00 0.00 0.00 175.10 174.74 3df1 s PHE 19 N -2.57 0.19 0.03 5.22 0.08 -1.18 0.08 117.98 119.83 3df1 s PHE 19 Ca 0.66 -1.48 -0.30 0.00 0.12 0.00 0.00 56.93 55.93 3df1 s PHE 19 Cb -0.21 -0.57 -0.08 0.00 -0.57 0.00 0.00 43.02 41.58 3df1 s PHE 19 CO 0.52 -0.94 1.91 0.42 -0.10 0.00 0.00 175.22 177.03 3df1 s ILE 20 N 0.77 3.09 -0.10 0.64 1.09 0.12 -1.28 121.20 125.54 3df1 s ILE 20 Ca 0.25 0.13 -0.03 0.00 -1.10 0.00 0.00 60.65 59.90 3df1 s ILE 20 Cb -0.07 -3.08 0.04 0.00 -1.06 0.00 0.00 42.46 38.29 3df1 s ILE 20 CO -0.09 -0.01 0.06 -0.75 -0.10 0.00 0.00 174.94 174.06 3df1 s LYS 21 N 4.33 0.07 -0.92 2.79 2.36 0.78 0.45 119.74 129.60 3df1 s LYS 21 Ca 0.86 0.15 -0.26 0.00 -2.55 0.00 0.00 55.97 54.17 3df1 s LYS 21 Cb -0.41 -1.10 -0.14 0.00 -1.05 0.00 0.00 37.83 35.12 3df1 s LYS 21 CO 0.40 -0.46 2.23 -1.25 1.55 0.00 0.00 175.35 177.81 3df1 s PRO 22 N 2.13 1.69 -0.29 4.03 0.04 -1.26 0.46 135.00 141.79 3df1 s PRO 22 Ca 0.04 0.00 -0.00 0.00 0.04 0.00 0.00 61.00 61.08 3df1 s PRO 22 Cb -0.14 -4.91 0.19 0.00 0.04 0.00 0.00 34.50 29.68 3df1 s PRO 22 CO -0.06 -4.54 0.73 0.20 0.04 0.00 0.00 177.00 173.37 3df1 s GLY 23 N 9.50 -1.10 0.00 0.56 0.00 -1.25 -4.86 107.32 110.17 3df1 s GLY 23 Ca 0.84 1.51 0.00 0.00 0.00 0.00 0.00 44.72 47.07 3df1 s GLY 23 CO 0.10 3.76 0.00 -2.01 0.00 0.00 0.00 173.10 174.95 3df1 n ASN 24 N 5.35 0.00 0.00 1.64 2.85 -1.26 -2.40 115.26 121.44 3df1 n ASN 24 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 3df1 n ASN 24 Cb 0.55 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.57 3df1 n ASN 24 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3df1 n GLY 25 N 0.00 -1.81 3.95 8.20 0.00 -0.79 0.14 105.19 114.88 3df1 n GLY 25 Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 46.02 46.53 3df1 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df1 s LYS 26 N 0.00 3.07 -0.37 1.61 1.02 -1.26 -3.71 119.74 120.10 3df1 s LYS 26 Ca 0.00 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.54 3df1 s LYS 26 Cb 0.00 -2.55 0.15 0.00 -0.52 0.00 0.00 37.83 34.91 3df1 s LYS 26 CO 0.00 -0.28 0.24 0.42 -0.92 0.00 0.00 175.35 174.81 3df1 s ILE 27 N -2.57 0.26 -0.16 2.17 1.01 -1.26 -2.71 121.20 117.94 3df1 s ILE 27 Ca 0.48 -1.93 0.01 0.00 0.00 0.00 0.00 60.65 59.21 3df1 s ILE 27 Cb -0.10 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.18 3df1 s ILE 27 CO 0.38 -1.03 -0.18 -0.69 0.00 0.00 0.00 174.94 173.42 3df1 s VAL 28 N 0.84 2.32 0.01 2.92 1.01 -1.24 -0.94 120.40 125.33 3df1 s VAL 28 Ca 0.21 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.37 3df1 s VAL 28 Cb -0.18 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3df1 s VAL 28 CO -0.03 0.53 -0.17 -0.63 0.00 0.00 0.00 175.10 174.80 3df1 s ILE 29 N 1.01 1.36 -0.78 2.22 1.01 -0.50 -2.23 121.20 123.30 3df1 s ILE 29 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3df1 s ILE 29 Cb -0.15 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.16 3df1 s ILE 29 CO -0.05 0.26 0.00 0.59 0.00 0.00 0.00 174.94 175.74 3df1 n ASN 30 N 2.31 -3.13 -1.40 3.58 5.03 -0.84 0.25 115.26 121.05 3df1 n ASN 30 Ca -0.16 0.27 -0.10 0.00 0.87 0.00 0.00 54.58 55.47 3df1 n ASN 30 Cb 0.54 -2.71 0.01 0.00 -1.02 0.00 0.00 39.78 36.61 3df1 n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3df1 n GLN 31 N -2.70 -1.90 -4.16 3.52 6.02 -1.26 -5.04 117.38 111.86 3df1 n GLN 31 Ca -0.11 0.42 -0.14 0.00 -0.01 0.00 0.00 57.00 57.16 3df1 n GLN 31 Cb 0.58 -4.28 -0.11 0.00 1.02 0.00 0.00 30.24 27.45 3df1 n GLN 31 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3df1 s ARG 32 N -4.93 0.81 1.03 -1.09 0.52 0.14 -5.11 118.95 110.31 3df1 s ARG 32 Ca 0.11 -1.10 -0.12 0.00 -0.52 0.00 0.00 55.73 54.09 3df1 s ARG 32 Cb -0.05 -0.52 0.20 0.00 0.52 0.00 0.00 34.95 35.11 3df1 s ARG 32 CO 0.13 0.08 1.08 0.45 0.02 0.00 0.00 175.30 177.06 3df1 s SER 33 N -2.31 2.29 0.00 0.23 0.15 -1.26 -1.41 113.70 111.39 3df1 s SER 33 Ca 0.03 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.08 3df1 s SER 33 Cb -0.04 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 3df1 s SER 33 CO 0.00 -3.37 0.68 -0.11 1.20 0.00 0.00 173.24 171.64 3df1 n LEU 34 N -4.35 0.00 0.30 3.45 7.94 -0.11 -2.47 117.00 121.75 3df1 n LEU 34 Ca 0.05 0.68 0.17 0.00 -1.11 0.00 0.00 56.01 55.80 3df1 n LEU 34 Cb 0.56 -0.18 0.92 0.00 0.53 0.00 0.00 43.42 45.25 3df1 n LEU 34 CO 0.57 -0.18 1.08 -0.33 -1.11 0.00 0.00 177.39 177.42 3df1 h GLU 35 N 0.00 0.00 0.00 1.96 3.07 -1.86 -2.10 114.58 115.65 3df1 h GLU 35 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3df1 h GLU 35 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3df1 h GLU 35 CO 0.00 0.04 0.00 1.04 -1.40 0.00 0.00 179.01 178.69 3df1 n GLN 36 N -3.50 0.00 0.07 2.33 3.00 -1.11 -0.76 117.38 117.40 3df1 n GLN 36 Ca -0.02 0.61 -0.13 0.00 -0.01 0.00 0.00 57.00 57.45 3df1 n GLN 36 Cb 0.15 -1.44 -0.09 0.00 0.00 0.00 0.00 30.24 28.86 3df1 n GLN 36 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 3df1 h TYR 37 N 0.00 -0.19 -3.56 1.08 3.20 -1.51 -3.39 116.97 112.60 3df1 h TYR 37 Ca 0.00 -0.00 -0.65 0.00 3.14 0.00 0.00 58.73 61.21 3df1 h TYR 37 Cb 0.00 0.06 -0.40 0.00 1.54 0.00 0.00 36.73 37.93 3df1 h TYR 37 CO -0.14 0.19 -0.69 -0.06 -1.64 0.00 0.00 178.16 175.82 3df1 s PHE 38 N -4.48 3.50 0.05 -3.82 2.99 -0.79 -5.09 117.98 110.33 3df1 s PHE 38 Ca -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 56.93 53.71 3df1 s PHE 38 Cb 0.02 -2.84 -0.01 0.00 0.00 0.00 0.00 43.02 40.18 3df1 s PHE 38 CO 0.59 -0.88 0.09 0.20 -0.00 0.00 0.00 175.22 175.23 3df1 s GLY 39 N 0.53 0.20 -1.19 4.36 0.00 0.06 -3.28 107.32 108.00 3df1 s GLY 39 Ca 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3df1 s GLY 39 CO -0.06 -0.78 0.00 -2.13 0.00 0.00 0.00 173.10 170.13 3df1 n ARG 40 N 0.57 -1.98 -3.89 2.90 0.63 -1.26 -4.91 116.66 108.72 3df1 n ARG 40 Ca -0.18 0.67 -0.09 0.00 -0.92 0.00 0.00 57.85 57.33 3df1 n ARG 40 Cb 0.59 -5.20 -0.08 0.00 0.45 0.00 0.00 32.46 28.22 3df1 n ARG 40 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3df1 s GLU 41 N -4.62 0.77 0.64 -0.14 2.02 -1.26 -5.02 118.70 111.09 3df1 s GLU 41 Ca 0.00 -0.92 0.29 0.00 0.02 0.00 0.00 54.97 54.36 3df1 s GLU 41 Cb 0.00 0.31 1.60 0.00 0.10 0.00 0.00 34.13 36.13 3df1 s GLU 41 CO 0.00 -0.23 1.89 0.00 0.02 0.00 0.00 175.26 176.95 3df1 h THR 42 N 2.98 0.00 0.00 3.63 1.03 -1.98 -1.96 112.91 116.61 3df1 h THR 42 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 3df1 h THR 42 Cb 1.19 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 3df1 h THR 42 CO 0.56 0.00 0.26 0.00 -0.01 0.00 0.00 175.52 176.33 3df1 h ALA 43 N 1.35 1.20 0.00 0.00 0.00 -1.93 -2.60 119.26 117.27 3df1 h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df1 h ALA 43 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3df1 h ALA 43 CO 0.00 -0.20 -0.48 0.00 0.00 0.00 0.00 179.25 178.57 3df1 h ARG 44 N 0.00 0.00 -1.02 0.00 3.08 -1.58 -3.29 114.38 111.57 3df1 h ARG 44 Ca 0.00 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.31 3df1 h ARG 44 Cb 0.52 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.45 3df1 h ARG 44 CO 0.00 0.00 0.62 0.00 -1.07 0.00 0.00 179.97 179.52 3df1 h MET 45 N -1.00 0.50 0.29 0.04 -0.00 -1.69 -1.02 114.93 112.04 3df1 h MET 45 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 3df1 h MET 45 Cb 0.48 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 3df1 h MET 45 CO 0.00 0.33 -0.14 -0.39 -0.00 0.00 0.00 176.91 176.71 3df1 h VAL 46 N 0.51 0.74 0.00 -0.10 -1.51 -1.67 0.32 116.25 114.54 3df1 h VAL 46 Ca 0.64 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.58 3df1 h VAL 46 Cb 1.35 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 3df1 h VAL 46 CO -0.44 0.11 0.00 -0.37 -1.23 0.00 0.00 177.57 175.63 3df1 h VAL 47 N -0.69 0.00 0.00 7.19 -1.51 -1.41 0.01 116.25 119.85 3df1 h VAL 47 Ca -0.04 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 3df1 h VAL 47 Cb 0.48 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 3df1 h VAL 47 CO 0.07 0.00 -1.05 0.54 -1.23 0.00 0.00 177.57 175.89 3df1 n ARG 48 N -2.32 1.13 -0.25 5.19 1.74 -0.47 -4.58 116.66 117.10 3df1 n ARG 48 Ca -0.01 -0.04 -0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3df1 n ARG 48 Cb 0.06 -1.34 0.07 0.00 -1.02 0.00 0.00 32.46 30.24 3df1 n ARG 48 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3df1 h GLN 49 N 0.00 -0.03 0.00 5.56 4.20 0.17 0.57 115.11 125.57 3df1 h GLN 49 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3df1 h GLN 49 Cb 0.50 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3df1 h GLN 49 CO 0.00 -0.02 -0.19 -1.00 -0.67 0.00 0.00 178.83 176.95 3df1 h PRO 50 N -0.03 0.00 0.00 1.46 0.13 -1.81 -0.44 132.00 131.31 3df1 h PRO 50 Ca 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 3df1 h PRO 50 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3df1 h PRO 50 CO -0.75 0.19 0.00 -0.07 -0.23 0.00 0.00 178.00 177.15 3df1 h LEU 51 N 0.00 0.00 0.00 1.56 3.38 -0.20 -2.70 115.31 117.34 3df1 h LEU 51 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3df1 h LEU 51 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3df1 h LEU 51 CO 0.03 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 3df1 n GLU 52 N -2.34 0.92 0.00 1.13 -0.58 -0.17 -0.08 120.64 119.51 3df1 n GLU 52 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3df1 n GLU 52 Cb 0.29 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 3df1 n GLU 52 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3df1 n LEU 53 N -0.65 0.00 0.00 -4.62 7.99 -1.02 -4.80 117.00 113.90 3df1 n LEU 53 Ca 0.07 -0.18 0.00 0.00 -0.01 0.00 0.00 56.01 55.89 3df1 n LEU 53 Cb 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 3df1 n LEU 53 CO 0.05 0.00 -0.20 1.33 -1.51 0.00 0.00 177.39 177.06 3df1 n VAL 54 N -0.47 0.00 -1.03 4.08 0.24 -1.15 -5.14 118.33 114.87 3df1 n VAL 54 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3df1 n VAL 54 Cb 0.00 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 3df1 n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3df1 n ASP 55 N -1.12 -5.64 0.00 -1.34 10.43 0.88 -5.00 116.55 114.76 3df1 n ASP 55 Ca 0.00 1.09 0.00 0.00 2.57 0.00 0.00 54.79 58.45 3df1 n ASP 55 Cb 0.00 -2.89 0.00 0.00 1.84 0.00 0.00 41.12 40.07 3df1 n ASP 55 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28 3df1 n MET 56 N -1.80 0.00 0.00 -1.24 0.00 -1.26 -4.48 117.12 108.34 3df1 n MET 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3df1 n MET 56 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.43 3df1 n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3df1 n VAL 57 N 0.00 0.00 -1.61 3.17 0.31 -1.03 -3.25 118.33 115.93 3df1 n VAL 57 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 3df1 n VAL 57 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 3df1 n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3df1 n GLU 58 N 0.00 0.97 0.00 5.55 0.00 -0.71 -1.88 120.64 124.58 3df1 n GLU 58 Ca 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 57.16 54.70 3df1 n GLU 58 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 31.44 30.29 3df1 n GLU 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3df1 n LYS 59 N -0.81 0.00 -3.58 3.44 4.76 0.26 -4.80 118.16 117.44 3df1 n LYS 59 Ca 0.13 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.52 3df1 n LYS 59 Cb 0.74 -0.37 -0.02 0.00 -1.84 0.00 0.00 35.03 33.54 3df1 n LYS 59 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 3df1 s LEU 60 N -5.07 -0.18 0.11 -0.35 2.34 0.37 -3.80 118.68 112.10 3df1 s LEU 60 Ca 0.00 -0.01 0.08 0.00 0.06 0.00 0.00 54.13 54.26 3df1 s LEU 60 Cb 0.00 1.52 -0.04 0.00 -0.56 0.00 0.00 46.19 47.11 3df1 s LEU 60 CO 0.00 -0.32 -0.19 1.51 -1.06 0.00 0.00 176.35 176.29 3df1 s ASP 61 N -2.27 2.39 0.29 1.48 -4.77 0.17 -3.18 116.67 110.79 3df1 s ASP 61 Ca 0.09 -0.71 0.11 0.00 -3.30 0.00 0.00 52.55 48.73 3df1 s ASP 61 Cb -0.01 -0.12 -0.05 0.00 -1.09 0.00 0.00 42.92 41.65 3df1 s ASP 61 CO -0.05 0.01 -0.10 -0.76 0.70 0.00 0.00 175.17 174.96 3df1 s LEU 62 N -2.04 2.83 -0.59 2.11 2.01 -1.10 -0.16 118.68 121.74 3df1 s LEU 62 Ca 0.07 -0.92 0.05 0.00 0.01 0.00 0.00 54.13 53.33 3df1 s LEU 62 Cb -0.09 -1.31 0.18 0.00 0.01 0.00 0.00 46.19 44.98 3df1 s LEU 62 CO 0.04 -0.03 0.47 0.00 1.01 0.00 0.00 176.35 177.84 3df1 n TYR 63 N -0.76 1.79 -2.32 0.29 9.36 -0.40 -3.67 117.16 121.44 3df1 n TYR 63 Ca -0.05 -3.95 -0.32 0.00 3.32 0.00 0.00 57.90 56.90 3df1 n TYR 63 Cb 0.60 -0.32 -0.02 0.00 -0.63 0.00 0.00 39.34 38.96 3df1 n TYR 63 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3df1 s ILE 64 N -1.07 4.59 -0.42 2.97 1.09 -0.94 -3.08 121.20 124.34 3df1 s ILE 64 Ca 0.29 1.09 0.09 0.00 -1.10 0.00 0.00 60.65 61.02 3df1 s ILE 64 Cb 0.01 -3.75 0.32 0.00 -1.06 0.00 0.00 42.46 37.98 3df1 s ILE 64 CO -0.16 -0.77 0.89 0.41 -0.10 0.00 0.00 174.94 175.20 3df1 n THR 65 N -1.81 -0.13 -2.33 2.92 -1.04 0.08 -1.99 114.28 109.98 3df1 n THR 65 Ca 0.06 -2.98 -0.36 0.00 -2.04 0.00 0.00 64.05 58.73 3df1 n THR 65 Cb 0.54 0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 69.51 3df1 n THR 65 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3df1 s VAL 66 N -0.92 3.29 0.11 12.58 0.11 -1.26 -3.66 120.40 130.66 3df1 s VAL 66 Ca 0.31 0.88 -0.09 0.00 -2.93 0.00 0.00 61.98 60.15 3df1 s VAL 66 Cb 0.30 -3.40 -0.00 0.00 -1.53 0.00 0.00 36.38 31.75 3df1 s VAL 66 CO -0.09 -0.10 0.23 -0.54 -3.33 0.00 0.00 175.10 171.27 3df1 s LYS 67 N -2.99 0.96 0.04 1.54 1.02 0.18 -4.81 119.74 115.68 3df1 s LYS 67 Ca 0.67 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.65 3df1 s LYS 67 Cb -0.24 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 3df1 s LYS 67 CO 0.29 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 3df1 n GLY 68 N -0.12 -2.19 7.00 -3.33 0.00 -1.26 0.67 105.19 105.96 3df1 n GLY 68 Ca -0.13 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3df1 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df1 n GLY 69 N -2.51 0.04 0.00 -0.02 0.00 0.04 -4.28 105.19 98.46 3df1 n GLY 69 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3df1 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df1 n GLY 70 N 0.00 5.40 0.00 -0.02 0.00 -1.26 -4.88 105.19 104.43 3df1 n GLY 70 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3df1 n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df1 n ILE 71 N 0.00 0.00 -0.00 -0.61 -0.00 -1.26 -0.27 119.36 117.22 3df1 n ILE 71 Ca 0.00 1.04 0.23 0.00 -0.00 0.00 0.00 62.75 64.02 3df1 n ILE 71 Cb 0.00 -1.93 0.70 0.00 -0.00 0.00 0.00 39.64 38.41 3df1 n ILE 71 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 3df1 h SER 72 N 0.00 0.00 -0.09 4.38 4.64 -1.98 0.21 113.55 120.71 3df1 h SER 72 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3df1 h SER 72 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3df1 h SER 72 CO 0.00 0.00 -0.19 1.23 -0.87 0.00 0.00 176.83 177.00 3df1 h GLY 73 N 0.00 0.31 0.69 -0.77 0.00 -1.87 -1.72 103.07 99.71 3df1 h GLY 73 Ca 0.28 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3df1 h GLY 73 CO -0.00 0.34 -0.28 1.46 0.00 0.00 0.00 176.54 178.06 3df1 h GLN 74 N -0.18 -0.74 -0.41 4.80 4.20 0.24 -1.50 115.11 121.52 3df1 h GLN 74 Ca 0.00 0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.85 3df1 h GLN 74 Cb 0.78 0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.64 3df1 h GLN 74 CO 0.04 -0.44 -0.21 0.00 -0.67 0.00 0.00 178.83 177.55 3df1 h ALA 75 N -0.93 0.07 -0.50 3.87 0.00 -1.20 0.61 119.26 121.19 3df1 h ALA 75 Ca -0.08 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3df1 h ALA 75 Cb 0.65 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3df1 h ALA 75 CO 0.13 -0.58 0.33 0.78 0.00 0.00 0.00 179.25 179.91 3df1 h GLY 76 N -0.14 0.70 1.04 0.00 0.00 -1.35 -2.11 103.07 101.21 3df1 h GLY 76 Ca 0.20 -0.26 -0.21 0.00 0.00 0.00 0.00 47.33 47.06 3df1 h GLY 76 CO -0.50 0.25 -0.76 0.00 0.00 0.00 0.00 176.54 175.54 3df1 h ALA 77 N 1.69 0.19 -0.19 3.60 0.00 0.14 -3.27 119.26 121.42 3df1 h ALA 77 Ca 0.18 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.52 3df1 h ALA 77 Cb -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3df1 h ALA 77 CO -0.04 0.55 -0.00 0.82 0.00 0.00 0.00 179.25 180.58 3df1 h ILE 78 N 0.29 0.86 -0.81 0.00 2.04 0.56 -1.10 117.51 119.35 3df1 h ILE 78 Ca -0.07 -0.02 0.23 0.00 1.00 0.00 0.00 64.86 65.99 3df1 h ILE 78 Cb 1.41 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 3df1 h ILE 78 CO 0.15 0.01 0.57 -0.09 0.00 0.00 0.00 178.15 178.80 3df1 h ARG 79 N 0.06 0.05 0.12 2.37 2.43 -1.47 -1.05 114.38 116.89 3df1 h ARG 79 Ca 0.09 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3df1 h ARG 79 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3df1 h ARG 79 CO -0.15 0.04 -0.06 1.25 -1.51 0.00 0.00 179.97 179.53 3df1 h HIS 80 N 0.05 -0.15 -0.86 2.20 2.76 -1.25 -1.43 115.15 116.47 3df1 h HIS 80 Ca 0.39 -0.00 0.20 0.00 -2.20 0.00 0.00 60.37 58.76 3df1 h HIS 80 Cb 1.47 0.05 -0.12 0.00 1.55 0.00 0.00 27.41 30.36 3df1 h HIS 80 CO -0.00 -0.10 0.34 0.78 -1.30 0.00 0.00 177.93 177.65 3df1 h GLY 81 N -0.20 1.40 0.37 5.26 0.00 -1.28 0.69 103.07 109.32 3df1 h GLY 81 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3df1 h GLY 81 CO 0.03 -0.24 -0.32 -2.22 0.00 0.00 0.00 176.54 173.79 3df1 h ILE 82 N 0.38 0.00 0.00 2.60 2.04 -1.23 0.30 117.51 121.60 3df1 h ILE 82 Ca 0.52 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.36 3df1 h ILE 82 Cb 0.96 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3df1 h ILE 82 CO -0.52 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 177.53 3df1 h THR 83 N -0.68 1.04 0.29 -0.27 1.03 -0.61 -0.30 112.91 113.42 3df1 h THR 83 Ca -0.05 -0.33 -0.01 0.00 -0.01 0.00 0.00 66.41 66.00 3df1 h THR 83 Cb 0.57 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 3df1 h THR 83 CO -0.01 0.09 -0.14 0.03 -0.01 0.00 0.00 175.52 175.49 3df1 h ARG 84 N 0.00 -0.38 0.00 0.00 3.08 0.78 -3.18 114.38 114.68 3df1 h ARG 84 Ca -0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3df1 h ARG 84 Cb 0.17 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3df1 h ARG 84 CO 0.01 -0.25 0.00 0.00 -1.07 0.00 0.00 179.97 178.66 3df1 h ALA 85 N -1.58 1.00 -0.10 0.04 0.00 -0.40 -1.68 119.26 116.55 3df1 h ALA 85 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3df1 h ALA 85 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3df1 h ALA 85 CO 0.07 0.00 0.32 1.25 0.00 0.00 0.00 179.25 180.89 3df1 h LEU 86 N 0.00 0.00 -0.46 0.00 5.85 -1.02 0.75 115.31 120.43 3df1 h LEU 86 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3df1 h LEU 86 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3df1 h LEU 86 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 3df1 h MET 87 N 0.00 0.00 -0.11 1.25 -0.00 -1.44 -2.86 114.93 111.76 3df1 h MET 87 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.67 3df1 h MET 87 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.28 3df1 h MET 87 CO -0.00 0.00 -0.26 0.93 -0.00 0.00 0.00 176.91 177.57 3df1 h GLU 88 N 0.00 0.20 -0.00 -0.10 5.08 0.32 -1.43 114.58 118.65 3df1 h GLU 88 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3df1 h GLU 88 Cb 0.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3df1 h GLU 88 CO 0.00 0.46 -0.42 0.98 -1.00 0.00 0.00 179.01 179.03 3df1 n TYR 89 N -4.16 0.00 -3.17 4.33 9.36 -1.08 -4.81 117.16 117.63 3df1 n TYR 89 Ca -0.01 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.26 3df1 n TYR 89 Cb 0.36 -0.28 -0.02 0.00 -0.63 0.00 0.00 39.34 38.76 3df1 n TYR 89 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3df1 s ASP 90 N -2.99 -0.16 0.00 2.98 3.68 -0.60 -5.02 116.67 114.56 3df1 s ASP 90 Ca 0.12 0.13 0.14 0.00 2.13 0.00 0.00 52.55 55.07 3df1 s ASP 90 Cb 0.18 1.15 0.76 0.00 -1.45 0.00 0.00 42.92 43.55 3df1 s ASP 90 CO 0.67 -0.03 1.50 -0.62 0.13 0.00 0.00 175.17 176.82 3df1 n GLU 91 N 5.25 1.16 -0.05 4.34 -0.58 -0.86 -3.56 120.64 126.34 3df1 n GLU 91 Ca -0.08 -0.24 -0.08 0.00 -0.42 0.00 0.00 57.16 56.33 3df1 n GLU 91 Cb 0.55 -1.24 -0.15 0.00 -0.57 0.00 0.00 31.44 30.03 3df1 n GLU 91 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3df1 n SER 92 N -0.48 0.48 0.00 1.62 7.64 -1.26 -4.14 113.62 117.49 3df1 n SER 92 Ca 0.11 0.23 0.03 0.00 1.01 0.00 0.00 58.87 60.24 3df1 n SER 92 Cb 0.10 0.44 0.12 0.00 -1.01 0.00 0.00 64.21 63.86 3df1 n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3df1 n LEU 93 N -2.90 0.00 0.06 -3.43 -0.00 -1.23 -3.27 117.00 106.23 3df1 n LEU 93 Ca -0.23 0.43 -0.15 0.00 -0.00 0.00 0.00 56.01 56.06 3df1 n LEU 93 Cb 1.08 -0.43 -0.09 0.00 -0.00 0.00 0.00 43.42 43.98 3df1 n LEU 93 CO 0.44 -0.36 0.51 0.03 -0.00 0.00 0.00 177.39 178.01 3df1 h ARG 94 N 0.00 -0.61 -0.81 1.47 2.47 -1.80 0.40 114.38 115.50 3df1 h ARG 94 Ca 0.00 0.04 0.19 0.00 -1.26 0.00 0.00 59.98 58.95 3df1 h ARG 94 Cb 0.08 0.14 -0.14 0.00 -1.65 0.00 0.00 29.97 28.40 3df1 h ARG 94 CO 0.00 -0.40 0.04 1.03 0.56 0.00 0.00 179.97 181.20 3df1 h SER 95 N -0.63 -0.31 -0.09 7.04 0.87 -1.87 0.38 113.55 118.94 3df1 h SER 95 Ca 0.01 0.21 -0.13 0.00 -1.23 0.00 0.00 61.79 60.64 3df1 h SER 95 Cb 0.66 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 3df1 h SER 95 CO -0.31 -0.19 -0.36 -0.33 -0.53 0.00 0.00 176.83 175.11 3df1 h GLU 96 N 0.11 0.60 0.51 2.24 4.39 -1.57 -0.12 114.58 120.75 3df1 h GLU 96 Ca 0.46 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 3df1 h GLU 96 Cb 0.84 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.49 3df1 h GLU 96 CO -0.70 0.87 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.71 3df1 h LEU 97 N 0.50 -0.58 -1.27 1.33 3.38 0.31 -3.25 115.31 115.73 3df1 h LEU 97 Ca 0.05 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3df1 h LEU 97 Cb 0.86 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3df1 h LEU 97 CO 0.07 -0.18 0.47 -0.09 0.09 0.00 0.00 178.44 178.81 3df1 h ARG 98 N -1.11 0.96 -0.44 1.13 2.43 -0.50 -1.51 114.38 115.35 3df1 h ARG 98 Ca -0.07 -0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.16 3df1 h ARG 98 Cb 0.58 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3df1 h ARG 98 CO 0.12 0.64 0.57 -0.22 -1.51 0.00 0.00 179.97 179.57 3df1 h LYS 99 N 0.99 0.00 -0.55 0.20 3.64 -1.04 0.36 116.57 120.16 3df1 h LYS 99 Ca 0.27 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.26 3df1 h LYS 99 Cb -0.10 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 31.44 3df1 h LYS 99 CO -0.06 0.00 -0.49 0.00 -2.27 0.00 0.00 179.45 176.63 3df1 n ALA 100 N -2.22 4.74 -3.38 5.00 0.00 -0.58 -4.99 120.51 119.08 3df1 n ALA 100 Ca 0.08 -3.57 -0.15 0.00 0.00 0.00 0.00 53.44 49.81 3df1 n ALA 100 Cb 0.75 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3df1 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df1 n GLY 101 N -0.88 -1.14 1.25 0.00 0.00 0.13 -4.97 105.19 99.58 3df1 n GLY 101 Ca 0.39 0.68 0.00 0.00 0.00 0.00 0.00 46.02 47.08 3df1 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df1 n PHE 102 N -1.81 -0.27 0.19 1.61 0.99 -1.12 -4.79 117.46 112.26 3df1 n PHE 102 Ca -0.13 0.05 0.06 0.00 -0.00 0.00 0.00 57.45 57.43 3df1 n PHE 102 Cb 0.59 0.12 0.53 0.00 -1.00 0.00 0.00 39.48 39.72 3df1 n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 3df1 h VAL 103 N 0.00 1.09 -4.02 -4.37 -1.51 -1.87 -3.44 116.25 102.13 3df1 h VAL 103 Ca 0.00 -0.36 -0.54 0.00 -1.23 0.00 0.00 66.70 64.58 3df1 h VAL 103 Cb 0.43 1.08 0.11 0.00 -2.13 0.00 0.00 31.29 30.78 3df1 h VAL 103 CO 0.00 0.11 0.58 0.42 -1.23 0.00 0.00 177.57 177.45 3df1 s THR 104 N -4.93 2.40 -0.31 7.19 -4.23 -1.26 -5.00 115.64 109.50 3df1 s THR 104 Ca -0.05 0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.75 3df1 s THR 104 Cb 0.16 -3.16 0.06 0.00 1.34 0.00 0.00 72.50 70.90 3df1 s THR 104 CO 0.70 0.00 0.01 -0.60 -0.54 0.00 0.00 174.62 174.19 3df1 s ARG 105 N -2.77 2.36 -0.70 3.99 3.00 -1.26 -5.04 118.95 118.53 3df1 s ARG 105 Ca 0.68 -1.33 -0.26 0.00 -1.00 0.00 0.00 55.73 53.81 3df1 s ARG 105 Cb -0.37 -3.20 -0.12 0.00 0.00 0.00 0.00 34.95 31.26 3df1 s ARG 105 CO 0.45 -0.66 2.40 0.34 0.00 0.00 0.00 175.30 177.83 3df1 s ASP 106 N 1.28 4.07 -1.11 -2.12 3.68 -1.26 -4.83 116.67 116.38 3df1 s ASP 106 Ca -0.04 0.36 -0.20 0.00 2.13 0.00 0.00 52.55 54.80 3df1 s ASP 106 Cb -0.20 -2.53 -0.06 0.00 -1.45 0.00 0.00 42.92 38.67 3df1 s ASP 106 CO -0.02 -3.56 1.95 0.00 0.13 0.00 0.00 175.17 173.67 3df1 n ALA 107 N 17.77 3.39 -2.80 3.66 0.00 -1.26 -4.80 120.51 136.48 3df1 n ALA 107 Ca 0.43 -3.44 -0.15 0.00 0.00 0.00 0.00 53.44 50.28 3df1 n ALA 107 Cb 0.47 -3.57 -0.12 0.00 0.00 0.00 0.00 19.45 16.22 3df1 n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3df1 s ARG 108 N 4.90 0.59 0.33 0.00 0.52 -1.26 -5.14 118.95 118.89 3df1 s ARG 108 Ca 0.58 -0.65 -0.17 0.00 -0.52 0.00 0.00 55.73 54.97 3df1 s ARG 108 Cb 0.08 -0.45 0.06 0.00 0.52 0.00 0.00 34.95 35.16 3df1 s ARG 108 CO 0.08 0.10 0.87 -1.14 0.02 0.00 0.00 175.30 175.23 3df1 s GLN 109 N -1.20 1.98 0.55 3.54 -0.44 -1.26 -4.02 119.66 118.80 3df1 s GLN 109 Ca -0.05 -1.28 -0.19 0.00 -2.50 0.00 0.00 55.36 51.34 3df1 s GLN 109 Cb -0.08 0.55 -0.08 0.00 -1.64 0.00 0.00 33.01 31.76 3df1 s GLN 109 CO 0.01 -0.93 0.74 0.28 0.50 0.00 0.00 175.29 175.89 3df1 n VAL 110 N -0.59 2.76 -3.27 1.34 0.31 -1.26 -4.94 118.33 112.68 3df1 n VAL 110 Ca -0.07 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.35 3df1 n VAL 110 Cb 0.60 -0.90 -0.08 0.00 -0.91 0.00 0.00 33.84 32.55 3df1 n VAL 110 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3df1 s GLU 111 N -2.27 3.71 -0.32 5.55 2.56 -1.26 -5.00 118.70 121.67 3df1 s GLU 111 Ca 0.70 -0.11 -0.36 0.00 0.00 0.00 0.00 54.97 55.20 3df1 s GLU 111 Cb -0.46 -3.77 -0.12 0.00 2.00 0.00 0.00 34.13 31.77 3df1 s GLU 111 CO 0.52 -0.56 2.08 2.89 -0.56 0.00 0.00 175.26 179.64 3df1 n ARG 112 N 5.64 1.14 -1.64 4.30 1.85 -1.26 -4.75 116.66 121.94 3df1 n ARG 112 Ca -0.05 0.35 -0.44 0.00 -1.00 0.00 0.00 57.85 56.70 3df1 n ARG 112 Cb 0.49 -2.38 -0.03 0.00 -1.05 0.00 0.00 32.46 29.49 3df1 n ARG 112 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3df1 n LYS 113 N 7.55 2.50 -2.78 2.89 4.81 -1.26 -4.74 118.16 127.13 3df1 n LYS 113 Ca 0.38 0.87 -0.31 0.00 -0.87 0.00 0.00 58.31 58.38 3df1 n LYS 113 Cb 0.21 -2.97 -0.03 0.00 0.02 0.00 0.00 35.03 32.25 3df1 n LYS 113 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3df1 s LYS 114 N 4.85 3.83 0.19 1.64 3.01 -1.26 -4.87 119.74 127.12 3df1 s LYS 114 Ca 0.93 0.58 -0.30 0.00 -1.01 0.00 0.00 55.97 56.17 3df1 s LYS 114 Cb -0.48 -2.34 -0.08 0.00 -1.01 0.00 0.00 37.83 33.92 3df1 s LYS 114 CO 0.43 -0.07 1.22 0.54 0.51 0.00 0.00 175.35 177.98 3df1 s VAL 115 N -2.39 3.49 0.00 3.17 0.11 -1.26 -2.83 120.40 120.68 3df1 s VAL 115 Ca 0.53 1.26 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 3df1 s VAL 115 Cb -0.10 -3.80 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 3df1 s VAL 115 CO 0.30 0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 3df1 n GLY 116 N 2.19 3.01 3.85 6.54 0.00 -1.26 -5.05 105.19 114.46 3df1 n GLY 116 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3df1 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df1 s LEU 117 N 0.00 3.98 0.15 0.99 1.43 -1.13 -4.75 118.68 119.35 3df1 s LEU 117 Ca 0.00 -0.05 0.23 0.00 -1.03 0.00 0.00 54.13 53.28 3df1 s LEU 117 Cb 0.00 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.74 3df1 s LEU 117 CO 0.00 0.04 1.09 -1.14 0.23 0.00 0.00 176.35 176.57 3df1 n ARG 118 N -0.58 0.47 -2.75 1.70 0.63 -0.48 -4.55 116.66 111.09 3df1 n ARG 118 Ca -0.08 0.08 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 3df1 n ARG 118 Cb 0.55 -1.74 0.08 0.00 0.45 0.00 0.00 32.46 31.80 3df1 n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3df1 n LYS 119 N -2.39 1.12 -0.36 -0.14 4.81 -1.25 -4.95 118.16 114.99 3df1 n LYS 119 Ca 0.01 -2.25 0.00 0.00 -0.87 0.00 0.00 58.31 55.20 3df1 n LYS 119 Cb 0.50 -0.68 0.00 0.00 0.02 0.00 0.00 35.03 34.87 3df1 n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df1 n ALA 120 N -0.16 0.00 0.00 3.14 0.00 -1.26 -3.80 120.51 118.43 3df1 n ALA 120 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3df1 n ALA 120 Cb 0.79 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df1 n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df1 n ARG 121 N -1.56 0.00 -1.61 0.00 5.12 -1.26 -4.64 116.66 112.71 3df1 n ARG 121 Ca 0.00 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.47 3df1 n ARG 121 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 3df1 n ARG 121 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3df1 n ARG 122 N -2.50 2.10 -3.31 5.56 0.63 -1.25 -4.88 116.66 113.01 3df1 n ARG 122 Ca 0.00 0.67 -0.38 0.00 -0.92 0.00 0.00 57.85 57.22 3df1 n ARG 122 Cb 0.00 -2.98 -0.06 0.00 0.45 0.00 0.00 32.46 29.87 3df1 n ARG 122 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3df1 s ARG 123 N 5.50 4.28 0.19 -0.14 0.52 -1.26 -1.39 118.95 126.65 3df1 s ARG 123 Ca 0.98 0.40 -0.32 0.00 -0.52 0.00 0.00 55.73 56.26 3df1 s ARG 123 Cb -0.49 -3.48 -0.12 0.00 0.52 0.00 0.00 34.95 31.38 3df1 s ARG 123 CO 0.42 0.05 1.73 -0.35 0.02 0.00 0.00 175.30 177.16 3df1 n PRO 124 N 4.08 2.72 -1.80 3.54 -0.04 -1.26 -4.90 135.00 137.34 3df1 n PRO 124 Ca -0.07 0.98 -0.42 0.00 -0.04 0.00 0.00 63.50 63.96 3df1 n PRO 124 Cb 0.51 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.12 3df1 n PRO 124 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3df1 s GLN 125 N 1.34 4.15 -0.17 0.54 -2.07 -1.26 -4.91 119.66 117.28 3df1 s GLN 125 Ca 0.76 2.53 0.06 0.00 -1.82 0.00 0.00 55.36 56.89 3df1 s GLN 125 Cb -0.52 -3.09 -0.15 0.00 -1.09 0.00 0.00 33.01 28.16 3df1 s GLN 125 CO 0.33 -0.68 -0.08 1.97 -1.32 0.00 0.00 175.29 175.51 3df1 n PHE 126 N 3.61 0.00 0.00 9.60 1.16 -1.26 -4.96 117.46 125.61 3df1 n PHE 126 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 3df1 n PHE 126 Cb 0.37 -0.73 0.00 0.00 -1.61 0.00 0.00 39.48 37.50 3df1 n PHE 126 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 3df1 n SER 127 N -2.85 0.00 -4.51 5.98 3.41 -1.26 -4.59 113.62 109.80 3df1 n SER 127 Ca -0.30 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 57.82 3df1 n SER 127 Cb 0.91 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.80 3df1 n SER 127 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3df1 n LYS 128 N 0.00 1.40 0.00 4.33 3.00 -1.26 -5.35 118.16 120.28 3df1 n LYS 128 Ca 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 3df1 n LYS 128 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 35.03 32.37 3df1 n LYS 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94