#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n GLU 2 N 0.00 1.46 -3.95 2.12 1.02 -1.26 0.45 120.64 120.48 3df4 n GLU 2 Ca 0.00 0.53 -0.31 0.00 -0.02 0.00 0.00 57.16 57.37 3df4 n GLU 2 Cb 0.00 -2.25 -0.15 0.00 -0.02 0.00 0.00 31.44 29.02 3df4 n GLU 2 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3df4 s LEU 3 N 2.89 3.44 1.02 -4.62 1.98 -1.26 -4.66 118.68 117.47 3df4 s LEU 3 Ca 0.93 -1.65 -0.17 0.00 -2.89 0.00 0.00 54.13 50.35 3df4 s LEU 3 Cb -0.93 -1.34 -0.00 0.00 0.66 0.00 0.00 46.19 44.58 3df4 s LEU 3 CO 0.57 -0.31 -0.17 0.52 -1.89 0.00 0.00 176.35 175.06 3df4 n VAL 4 N 4.51 0.00 -1.24 1.68 0.31 -1.26 0.18 118.33 122.51 3df4 n VAL 4 Ca -0.05 -0.25 0.08 0.00 -0.01 0.00 0.00 64.34 64.11 3df4 n VAL 4 Cb 0.43 -0.44 0.12 0.00 -0.91 0.00 0.00 33.84 33.04 3df4 n VAL 4 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3df4 n LEU 5 N -0.05 2.01 0.00 7.52 0.00 -1.26 -4.47 117.00 120.75 3df4 n LEU 5 Ca 0.02 -2.82 0.00 0.00 0.00 0.00 0.00 56.01 53.22 3df4 n LEU 5 Cb 0.60 -0.37 0.00 0.00 0.00 0.00 0.00 43.42 43.65 3df4 n LEU 5 CO 0.50 0.68 0.00 1.17 0.00 0.00 0.00 177.39 179.74 3df4 n LYS 6 N -1.20 0.00 0.00 1.96 4.81 -1.25 -3.59 118.16 118.89 3df4 n LYS 6 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3df4 n LYS 6 Cb 0.66 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.71 3df4 n LYS 6 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3df4 n ASP 7 N 5.66 0.00 -0.16 3.14 5.68 -1.26 -0.44 116.55 129.16 3df4 n ASP 7 Ca 0.00 0.17 0.29 0.00 -0.50 0.00 0.00 54.79 54.75 3df4 n ASP 7 Cb 0.00 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 40.63 3df4 n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3df4 h ALA 8 N -1.64 2.76 -5.65 2.12 0.00 -1.97 -3.45 119.26 111.43 3df4 h ALA 8 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 3df4 h ALA 8 Cb 0.00 0.07 0.17 0.00 0.00 0.00 0.00 17.79 18.02 3df4 h ALA 8 CO 0.00 -1.34 -0.84 0.94 0.00 0.00 0.00 179.25 178.01 3df4 n GLN 9 N -3.67 -3.46 0.00 0.00 -0.06 0.41 -4.92 117.38 105.67 3df4 n GLN 9 Ca 0.20 0.79 0.00 0.00 -2.00 0.00 0.00 57.00 55.99 3df4 n GLN 9 Cb 1.17 -5.59 0.00 0.00 -4.06 0.00 0.00 30.24 21.76 3df4 n GLN 9 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3df4 n SER 10 N -3.13 0.40 -0.67 1.69 7.64 -1.26 -4.93 113.62 113.36 3df4 n SER 10 Ca -0.15 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.04 3df4 n SER 10 Cb 0.63 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 3df4 n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3df4 n ALA 11 N -0.53 0.00 0.00 -0.43 0.00 -1.26 -4.81 120.51 113.48 3df4 n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df4 n ALA 11 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3df4 n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3df4 n LEU 12 N 0.00 0.00 -2.68 0.00 -0.00 0.48 -4.41 117.00 110.39 3df4 n LEU 12 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 3df4 n LEU 12 Cb 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 43.42 43.42 3df4 n LEU 12 CO 0.00 -0.03 -0.59 0.41 -0.00 0.00 0.00 177.39 177.18 3df4 n THR 13 N -1.46-11.63 -3.05 1.96 -1.04 -1.21 -4.71 114.28 93.14 3df4 n THR 13 Ca 0.00 2.34 0.00 0.00 -2.04 0.00 0.00 64.05 64.35 3df4 n THR 13 Cb 0.00 -6.27 0.00 0.00 -1.82 0.00 0.00 70.33 62.24 3df4 n THR 13 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3df4 n VAL 14 N 1.55 0.00 -1.39 12.58 0.24 0.17 -4.72 118.33 126.76 3df4 n VAL 14 Ca -0.29 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.66 3df4 n VAL 14 Cb 0.47 -0.45 0.10 0.00 -1.47 0.00 0.00 33.84 32.49 3df4 n VAL 14 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3df4 s SER 15 N -0.45 4.03 -0.00 -1.34 0.15 -1.26 -0.84 113.70 113.98 3df4 s SER 15 Ca 0.00 2.49 0.06 0.00 0.70 0.00 0.00 55.95 59.20 3df4 s SER 15 Cb 0.00 -2.60 -0.07 0.00 -1.71 0.00 0.00 66.02 61.64 3df4 s SER 15 CO 0.00 -2.38 0.26 1.21 1.20 0.00 0.00 173.24 173.52 3df4 n GLU 16 N -2.68 4.62 0.00 5.44 2.13 -1.26 -3.59 120.64 125.30 3df4 n GLU 16 Ca 0.15 -0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.08 3df4 n GLU 16 Cb 0.49 -0.82 0.52 0.00 0.27 0.00 0.00 31.44 31.90 3df4 n GLU 16 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3df4 n THR 17 N -1.19 0.33 0.00 6.31 -1.04 -1.26 -1.81 114.28 115.62 3df4 n THR 17 Ca 0.01 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3df4 n THR 17 Cb 0.10 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 3df4 n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3df4 n THR 18 N -1.53 0.00 0.15 12.58 -2.24 -1.26 -4.42 114.28 117.56 3df4 n THR 18 Ca 0.06 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.82 3df4 n THR 18 Cb 0.29 -1.35 0.14 0.00 -2.10 0.00 0.00 70.33 67.30 3df4 n THR 18 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3df4 n PHE 19 N -2.92 1.03 -0.05 4.78 3.72 -1.24 -3.56 117.46 119.22 3df4 n PHE 19 Ca 0.00 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 3df4 n PHE 19 Cb 0.45 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3df4 n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3df4 n GLY 20 N 0.10 0.65 3.25 1.37 0.00 -0.75 -4.80 105.19 105.00 3df4 n GLY 20 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3df4 n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3df4 n ARG 21 N 0.00 -0.03 -3.40 1.61 3.00 -1.23 -4.97 116.66 111.64 3df4 n ARG 21 Ca 0.00 0.02 -0.30 0.00 -0.00 0.00 0.00 57.85 57.57 3df4 n ARG 21 Cb 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 32.46 31.00 3df4 n ARG 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3df4 s ASP 22 N -1.40 6.50 -1.08 6.15 1.11 -1.26 -4.67 116.67 122.02 3df4 s ASP 22 Ca 0.52 0.76 -0.23 0.00 0.18 0.00 0.00 52.55 53.78 3df4 s ASP 22 Cb -0.26 -2.16 -0.03 0.00 1.07 0.00 0.00 42.92 41.54 3df4 s ASP 22 CO 0.71 -0.13 1.83 0.12 1.18 0.00 0.00 175.17 178.89 3df4 s PHE 23 N -1.95 2.13 -1.24 4.23 5.36 -1.26 -4.65 117.98 120.60 3df4 s PHE 23 Ca 0.45 -0.02 -0.15 0.00 -0.96 0.00 0.00 56.93 56.24 3df4 s PHE 23 Cb -0.11 -4.25 -0.04 0.00 -0.34 0.00 0.00 43.02 38.28 3df4 s PHE 23 CO 0.27 -1.59 2.22 -1.71 -1.46 0.00 0.00 175.22 172.95 3df4 n ASN 24 N 12.43 4.17 -0.28 6.13 4.05 -1.26 -4.80 115.26 135.71 3df4 n ASN 24 Ca 0.42 -2.72 -0.05 0.00 0.45 0.00 0.00 54.58 52.68 3df4 n ASN 24 Cb 0.47 -1.44 -0.04 0.00 1.23 0.00 0.00 39.78 40.00 3df4 n ASN 24 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3df4 n GLU 25 N 5.90 -0.26 -0.40 1.20 2.13 -1.26 0.71 120.64 128.66 3df4 n GLU 25 Ca 0.54 1.03 0.33 0.00 0.66 0.00 0.00 57.16 59.72 3df4 n GLU 25 Cb 0.35 -1.53 0.60 0.00 0.27 0.00 0.00 31.44 31.14 3df4 n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3df4 h ALA 26 N 0.53 2.53 0.03 4.31 0.00 -2.00 -0.73 119.26 123.93 3df4 h ALA 26 Ca 0.15 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3df4 h ALA 26 Cb 0.32 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3df4 h ALA 26 CO -0.65 -1.13 -0.01 1.25 0.00 0.00 0.00 179.25 178.71 3df4 h LEU 27 N 0.16 -0.03 -1.01 0.00 6.46 -0.12 -3.06 115.31 117.71 3df4 h LEU 27 Ca 0.77 0.00 0.36 0.00 -0.12 0.00 0.00 57.88 58.89 3df4 h LEU 27 Cb 2.27 0.01 -0.16 0.00 -0.73 0.00 0.00 40.66 42.05 3df4 h LEU 27 CO -0.43 0.02 0.57 -0.37 -0.62 0.00 0.00 178.44 177.60 3df4 h VAL 28 N -0.12 0.20 0.85 1.05 -1.51 -1.31 0.12 116.25 115.52 3df4 h VAL 28 Ca -0.00 -0.07 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 3df4 h VAL 28 Cb 0.03 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 3df4 h VAL 28 CO 0.01 0.04 -0.49 -0.74 -1.23 0.00 0.00 177.57 175.16 3df4 h HIS 29 N 0.21 -1.28 -0.63 5.19 -0.00 -1.26 1.06 115.15 118.43 3df4 h HIS 29 Ca 0.78 -0.02 0.18 0.00 -0.00 0.00 0.00 60.37 61.31 3df4 h HIS 29 Cb 1.89 0.45 -0.03 0.00 -0.00 0.00 0.00 27.41 29.72 3df4 h HIS 29 CO -0.01 -0.74 0.64 0.37 -0.00 0.00 0.00 177.93 178.19 3df4 h GLN 30 N -1.24 0.00 0.00 5.26 4.15 -0.69 0.78 115.11 123.37 3df4 h GLN 30 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3df4 h GLN 30 Cb 0.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.67 3df4 h GLN 30 CO 0.14 0.00 -0.14 0.28 -1.93 0.00 0.00 178.83 177.18 3df4 h VAL 31 N 0.00 0.00 -0.81 2.39 2.07 -0.14 -3.07 116.25 116.68 3df4 h VAL 31 Ca 0.30 -0.75 0.20 0.00 0.82 0.00 0.00 66.70 67.27 3df4 h VAL 31 Cb 1.58 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.21 3df4 h VAL 31 CO -0.00 0.00 0.10 -0.37 0.02 0.00 0.00 177.57 177.32 3df4 h VAL 32 N -0.75 0.32 -0.34 2.57 -1.51 0.17 0.55 116.25 117.27 3df4 h VAL 32 Ca 0.00 -0.05 0.03 0.00 -1.23 0.00 0.00 66.70 65.45 3df4 h VAL 32 Cb 0.14 0.16 -0.03 0.00 -2.13 0.00 0.00 31.29 29.43 3df4 h VAL 32 CO 0.00 0.03 0.14 0.58 -1.23 0.00 0.00 177.57 177.09 3df4 h VAL 33 N 0.15 0.94 0.25 7.19 2.07 -1.03 1.15 116.25 126.96 3df4 h VAL 33 Ca 0.47 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.90 3df4 h VAL 33 Cb 0.89 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3df4 h VAL 33 CO -0.67 0.05 -0.51 0.00 0.02 0.00 0.00 177.57 176.46 3df4 h ALA 34 N 1.20 -1.03 -0.61 1.67 0.00 0.09 0.63 119.26 121.22 3df4 h ALA 34 Ca 0.15 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3df4 h ALA 34 Cb 0.10 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3df4 h ALA 34 CO -0.13 -1.14 0.40 -0.92 0.00 0.00 0.00 179.25 177.47 3df4 h TYR 35 N -0.84 0.56 0.13 0.00 5.03 -0.53 -2.15 116.97 119.17 3df4 h TYR 35 Ca -0.02 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 3df4 h TYR 35 Cb 0.80 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 3df4 h TYR 35 CO -0.38 0.29 -0.10 0.00 -1.32 0.00 0.00 178.16 176.65 3df4 h ALA 36 N 1.68 -0.89 -3.00 1.82 0.00 0.36 -3.36 119.26 115.86 3df4 h ALA 36 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3df4 h ALA 36 Cb 0.34 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3df4 h ALA 36 CO -0.08 -0.89 0.00 0.00 0.00 0.00 0.00 179.25 178.28 3df4 n ALA 37 N -2.31 0.00 0.00 0.00 0.00 0.20 -3.62 120.51 114.78 3df4 n ALA 37 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3df4 n ALA 37 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3df4 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 38 N 1.97 0.76 0.00 0.00 0.00 -1.09 -4.25 105.19 102.58 3df4 n GLY 38 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3df4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 n ALA 39 N 0.00 2.14 -0.77 4.61 0.00 -1.24 -4.75 120.51 120.50 3df4 n ALA 39 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 3df4 n ALA 39 Cb 0.00 -1.29 0.24 0.00 0.00 0.00 0.00 19.45 18.41 3df4 n ALA 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3df4 s ARG 40 N -2.06 -1.31 -0.13 0.00 1.81 -1.26 -5.06 118.95 110.94 3df4 s ARG 40 Ca 0.26 0.33 -0.04 0.00 -1.72 0.00 0.00 55.73 54.56 3df4 s ARG 40 Cb 0.12 -1.55 0.06 0.00 -0.45 0.00 0.00 34.95 33.13 3df4 s ARG 40 CO 0.21 -3.86 0.15 -1.14 -0.68 0.00 0.00 175.30 169.99 3df4 s GLN 41 N -4.98 0.07 0.00 3.54 0.74 -1.26 -4.97 119.66 112.80 3df4 s GLN 41 Ca 0.69 0.33 0.00 0.00 0.05 0.00 0.00 55.36 56.42 3df4 s GLN 41 Cb -0.17 -0.84 0.00 0.00 1.10 0.00 0.00 33.01 33.10 3df4 s GLN 41 CO 0.59 -0.47 0.00 0.41 -0.55 0.00 0.00 175.29 175.27 3df4 n GLY 42 N 5.31 -0.75 3.41 2.59 0.00 -1.26 -4.85 105.19 109.64 3df4 n GLY 42 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 3df4 n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3df4 n THR 43 N 0.00 -3.21 -5.17 2.61 -2.24 -1.26 -4.66 114.28 100.34 3df4 n THR 43 Ca 0.00 0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.51 3df4 n THR 43 Cb 0.00 -2.91 -0.17 0.00 -2.10 0.00 0.00 70.33 65.15 3df4 n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3df4 s ARG 44 N -3.12 2.76 0.00 -0.78 1.81 -1.26 -4.95 118.95 113.42 3df4 s ARG 44 Ca 0.22 -0.84 0.00 0.00 -1.72 0.00 0.00 55.73 53.39 3df4 s ARG 44 Cb -0.02 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.31 3df4 s ARG 44 CO 0.79 0.23 0.00 0.00 -0.68 0.00 0.00 175.30 175.64 3df4 n ALA 45 N 3.37 0.00 -0.92 2.13 0.00 -1.26 -4.12 120.51 119.71 3df4 n ALA 45 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3df4 n ALA 45 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3df4 n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3df4 n GLN 46 N 0.00 -2.62 -3.64 0.00 1.13 -1.26 -4.51 117.38 106.49 3df4 n GLN 46 Ca 0.00 1.96 -0.20 0.00 -1.94 0.00 0.00 57.00 56.82 3df4 n GLN 46 Cb 0.00 -2.23 -0.16 0.00 0.11 0.00 0.00 30.24 27.96 3df4 n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3df4 s LYS 47 N -4.72 0.02 1.25 -1.09 1.02 -1.26 -4.79 119.74 110.17 3df4 s LYS 47 Ca 0.00 0.33 -0.17 0.00 0.02 0.00 0.00 55.97 56.16 3df4 s LYS 47 Cb 0.00 -0.77 0.31 0.00 -0.52 0.00 0.00 37.83 36.85 3df4 s LYS 47 CO 0.00 -0.43 1.00 0.95 -0.92 0.00 0.00 175.35 175.96 3df4 s THR 48 N 2.22 1.70 -2.00 2.17 -4.23 -1.25 -4.13 115.64 110.12 3df4 s THR 48 Ca 0.04 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 3df4 s THR 48 Cb -0.13 -2.14 0.09 0.00 1.34 0.00 0.00 72.50 71.66 3df4 s THR 48 CO -0.06 0.00 0.52 -2.11 -0.54 0.00 0.00 174.62 172.43 3df4 n ARG 49 N -5.12 0.23 -0.05 3.99 1.85 -1.09 -1.59 116.66 114.88 3df4 n ARG 49 Ca 0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.85 3df4 n ARG 49 Cb 0.57 -1.21 -0.05 0.00 -1.05 0.00 0.00 32.46 30.72 3df4 n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3df4 n ALA 50 N -0.71 1.77 -0.01 2.89 0.00 -1.26 -4.61 120.51 118.57 3df4 n ALA 50 Ca 0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.98 3df4 n ALA 50 Cb 0.01 0.25 0.23 0.00 0.00 0.00 0.00 19.45 19.94 3df4 n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3df4 h GLU 51 N 0.00 0.54 -6.60 0.00 5.08 -1.59 -3.45 114.58 108.57 3df4 h GLU 51 Ca -0.24 -0.16 -0.58 0.00 -1.00 0.00 0.00 59.36 57.38 3df4 h GLU 51 Cb 1.37 -0.05 0.16 0.00 0.50 0.00 0.00 28.75 30.73 3df4 h GLU 51 CO -0.04 0.67 -0.17 0.28 -1.00 0.00 0.00 179.01 178.75 3df4 n VAL 52 N -4.19 2.64 -2.98 3.13 0.31 -0.96 -4.91 118.33 111.37 3df4 n VAL 52 Ca 0.01 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.41 3df4 n VAL 52 Cb 0.34 -0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 32.35 3df4 n VAL 52 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3df4 s THR 53 N -1.57 4.69 0.00 2.52 -4.23 -1.26 -4.93 115.64 110.85 3df4 s THR 53 Ca 0.69 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 3df4 s THR 53 Cb -0.47 -4.28 0.00 0.00 1.34 0.00 0.00 72.50 69.09 3df4 s THR 53 CO 0.53 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 3df4 n GLY 54 N 4.89 4.01 3.39 3.99 0.00 -1.26 -5.05 105.19 115.17 3df4 n GLY 54 Ca 0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 3df4 n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3df4 s SER 55 N 1.86 -0.47 0.64 1.61 0.15 -1.26 -5.01 113.70 111.21 3df4 s SER 55 Ca 0.00 0.65 0.43 0.00 0.70 0.00 0.00 55.95 57.73 3df4 s SER 55 Cb 0.00 0.68 2.27 0.00 -1.71 0.00 0.00 66.02 67.25 3df4 s SER 55 CO 0.00 -0.39 2.30 1.23 1.20 0.00 0.00 173.24 177.58 3df4 h GLY 56 N 4.17 0.00 -7.13 9.45 0.00 -2.02 -3.42 103.07 104.12 3df4 h GLY 56 Ca -0.28 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.46 3df4 h GLY 56 CO 0.31 0.00 1.52 1.17 0.00 0.00 0.00 176.54 179.54 3df4 n LYS 57 N -3.05 1.10 -3.10 4.80 0.00 -1.26 -4.89 118.16 111.76 3df4 n LYS 57 Ca -0.02 0.23 -0.43 0.00 0.00 0.00 0.00 58.31 58.09 3df4 n LYS 57 Cb 0.10 -2.72 -0.07 0.00 0.00 0.00 0.00 35.03 32.35 3df4 n LYS 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3df4 s LYS 58 N 7.03 3.30 -0.85 1.64 3.01 -1.26 -4.69 119.74 127.92 3df4 s LYS 58 Ca 1.08 -0.34 -0.22 0.00 -1.01 0.00 0.00 55.97 55.48 3df4 s LYS 58 Cb -0.66 -3.94 -0.18 0.00 -1.01 0.00 0.00 37.83 32.04 3df4 s LYS 58 CO 0.41 -1.00 2.19 -2.30 0.51 0.00 0.00 175.35 175.16 3df4 n PRO 59 N 6.27 0.30 0.00 -1.68 -0.02 -1.26 -4.71 135.00 133.90 3df4 n PRO 59 Ca -0.01 -0.94 0.00 0.00 -2.02 0.00 0.00 63.50 60.52 3df4 n PRO 59 Cb 0.48 -3.24 0.00 0.00 -0.02 0.00 0.00 33.50 30.72 3df4 n PRO 59 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3df4 n TRP 60 N 16.45 0.00 -0.83 6.00 5.03 -1.26 -4.79 117.44 138.04 3df4 n TRP 60 Ca 0.44 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.97 3df4 n TRP 60 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.69 3df4 n TRP 60 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 3df4 n ARG 61 N 0.00 0.00 0.00 -0.99 0.00 -1.26 -4.95 116.66 109.46 3df4 n ARG 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3df4 n ARG 61 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 32.46 30.09 3df4 n ARG 61 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3df4 n GLN 62 N -2.59 0.00 -2.54 -0.14 7.27 -1.26 -3.85 117.38 114.27 3df4 n GLN 62 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.67 3df4 n GLN 62 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 3df4 n GLN 62 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3df4 s LYS 63 N 0.00 4.67 0.00 3.69 -0.14 -1.26 -3.70 119.74 123.00 3df4 s LYS 63 Ca 0.00 1.72 0.00 0.00 -1.36 0.00 0.00 55.97 56.33 3df4 s LYS 63 Cb 0.00 -3.23 0.00 0.00 -1.68 0.00 0.00 37.83 32.92 3df4 s LYS 63 CO 0.00 0.23 0.00 0.41 -0.76 0.00 0.00 175.35 175.23 3df4 n GLY 64 N 1.48 3.20 3.75 -3.33 0.00 -1.26 -5.06 105.19 103.98 3df4 n GLY 64 Ca -0.00 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 3df4 n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3df4 s THR 65 N -0.13 4.63 0.29 2.61 -1.32 -1.24 -4.98 115.64 115.49 3df4 s THR 65 Ca 0.00 1.68 0.03 0.00 -1.21 0.00 0.00 61.69 62.19 3df4 s THR 65 Cb 0.00 -4.13 0.28 0.00 -1.51 0.00 0.00 72.50 67.14 3df4 s THR 65 CO 0.00 0.40 1.79 1.23 -2.21 0.00 0.00 174.62 175.83 3df4 h GLY 66 N 5.34 1.66 -1.30 6.08 0.00 -1.96 -3.44 103.07 109.45 3df4 h GLY 66 Ca -0.45 -0.35 -0.52 0.00 0.00 0.00 0.00 47.33 46.01 3df4 h GLY 66 CO 0.70 -0.00 0.18 -0.96 0.00 0.00 0.00 176.54 176.45 3df4 n ARG 67 N -4.76 -0.48 -1.78 4.80 1.85 -1.26 -5.01 116.66 110.02 3df4 n ARG 67 Ca 0.21 -0.08 -0.29 0.00 -1.00 0.00 0.00 57.85 56.69 3df4 n ARG 67 Cb 0.49 -2.35 0.13 0.00 -1.05 0.00 0.00 32.46 29.68 3df4 n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3df4 s ALA 68 N -2.63 2.24 0.00 2.89 0.00 -1.26 -4.99 121.76 118.01 3df4 s ALA 68 Ca 0.66 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3df4 s ALA 68 Cb -0.23 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3df4 s ALA 68 CO 0.59 -2.10 0.00 0.54 0.00 0.00 0.00 175.76 174.79 3df4 n ARG 69 N -3.60 0.00 -0.71 0.00 5.12 -1.26 -4.96 116.66 111.24 3df4 n ARG 69 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 3df4 n ARG 69 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 3df4 n ARG 69 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3df4 n SER 70 N 0.00 -2.73 0.00 0.55 2.88 -1.26 -4.81 113.62 108.25 3df4 n SER 70 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 3df4 n SER 70 Cb 0.00 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 3df4 n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3df4 n GLY 71 N 0.20 1.00 3.62 0.46 0.00 -1.26 -4.72 105.19 104.49 3df4 n GLY 71 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3df4 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3df4 s SER 72 N 0.00 -0.61 0.00 1.61 0.15 -1.26 -4.58 113.70 109.01 3df4 s SER 72 Ca 0.00 0.95 0.06 0.00 0.70 0.00 0.00 55.95 57.65 3df4 s SER 72 Cb 0.00 1.32 0.26 0.00 -1.71 0.00 0.00 66.02 65.89 3df4 s SER 72 CO 0.00 -0.15 1.11 0.00 1.20 0.00 0.00 173.24 175.41 3df4 n ILE 73 N 3.99 1.31 1.17 6.45 3.06 -1.26 -0.05 119.36 134.04 3df4 n ILE 73 Ca -0.18 0.33 0.12 0.00 -2.50 0.00 0.00 62.75 60.53 3df4 n ILE 73 Cb 0.57 -1.23 0.24 0.00 0.54 0.00 0.00 39.64 39.75 3df4 n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3df4 n LYS 74 N -1.41 1.50 -1.68 9.51 5.02 -1.26 -4.82 118.16 125.02 3df4 n LYS 74 Ca 0.02 -1.10 -0.64 0.00 -2.02 0.00 0.00 58.31 54.57 3df4 n LYS 74 Cb 0.06 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.50 3df4 n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3df4 n SER 75 N 0.21 1.09 -0.40 4.39 2.88 0.93 -4.07 113.62 118.64 3df4 n SER 75 Ca 0.13 1.17 0.39 0.00 -1.33 0.00 0.00 58.87 59.23 3df4 n SER 75 Cb 0.45 -0.93 0.76 0.00 -0.75 0.00 0.00 64.21 63.74 3df4 n SER 75 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3df4 h PRO 76 N 4.78 0.01 -0.00 -1.46 0.11 -1.88 0.44 132.00 134.00 3df4 h PRO 76 Ca -0.46 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3df4 h PRO 76 Cb 1.38 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.49 3df4 h PRO 76 CO 0.89 0.00 -0.29 0.82 -0.21 0.00 0.00 178.00 179.22 3df4 h ILE 77 N 0.01 1.53 -1.35 4.15 2.04 -1.86 -3.41 117.51 118.61 3df4 h ILE 77 Ca 0.64 -1.95 -0.72 0.00 1.00 0.00 0.00 64.86 63.83 3df4 h ILE 77 Cb 2.56 2.73 0.07 0.00 -0.74 0.00 0.00 36.82 41.44 3df4 h ILE 77 CO -0.01 0.54 0.11 0.79 0.00 0.00 0.00 178.15 179.58 3df4 n TRP 78 N -4.47 0.83 0.00 1.37 5.03 0.16 -4.88 117.44 115.47 3df4 n TRP 78 Ca -0.10 0.87 0.00 0.00 3.03 0.00 0.00 57.50 61.31 3df4 n TRP 78 Cb 0.52 -2.17 0.00 0.00 -1.03 0.00 0.00 31.31 28.63 3df4 n TRP 78 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 3df4 n ARG 79 N 1.71 0.00 -2.31 -0.99 0.00 -1.26 -4.48 116.66 109.33 3df4 n ARG 79 Ca 0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.70 3df4 n ARG 79 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 32.46 32.46 3df4 n ARG 79 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3df4 s SER 80 N -1.10 6.06 0.43 6.15 1.04 -1.26 -4.83 113.70 120.19 3df4 s SER 80 Ca 0.00 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.33 3df4 s SER 80 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3df4 s SER 80 CO 0.00 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.85 3df4 n GLY 81 N -0.52 -4.46 0.00 7.32 0.00 -1.26 -4.80 105.19 101.46 3df4 n GLY 81 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3df4 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 82 N -0.71 -1.12 2.80 -0.02 0.00 -1.26 -4.58 105.19 100.30 3df4 n GLY 82 Ca 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 46.02 46.39 3df4 n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3df4 n VAL 83 N 0.00-11.23 -0.02 1.61 0.31 -1.26 -2.66 118.33 105.07 3df4 n VAL 83 Ca 0.00 1.45 -0.01 0.00 -0.01 0.00 0.00 64.34 65.78 3df4 n VAL 83 Cb 0.00 -6.86 -0.01 0.00 -0.91 0.00 0.00 33.84 26.07 3df4 n VAL 83 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3df4 h THR 84 N 2.71 0.00 -2.92 2.52 2.02 -1.88 -3.07 112.91 112.28 3df4 h THR 84 Ca -0.01 0.00 -0.73 0.00 0.77 0.00 0.00 66.41 66.44 3df4 h THR 84 Cb 0.41 0.00 -0.34 0.00 -1.74 0.00 0.00 68.15 66.48 3df4 h THR 84 CO 0.13 0.00 0.16 0.49 0.37 0.00 0.00 175.52 176.67 3df4 n PHE 85 N -3.12 3.49 -1.52 3.16 3.72 -1.26 -4.73 117.46 117.19 3df4 n PHE 85 Ca 0.00 -3.56 -0.37 0.00 -0.05 0.00 0.00 57.45 53.47 3df4 n PHE 85 Cb 0.02 -1.10 -0.11 0.00 -0.94 0.00 0.00 39.48 37.35 3df4 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3df4 n ALA 86 N 1.63 0.52 -1.57 4.37 0.00 -1.16 -4.84 120.51 119.46 3df4 n ALA 86 Ca 0.25 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3df4 n ALA 86 Cb 0.37 -2.67 0.01 0.00 0.00 0.00 0.00 19.45 17.15 3df4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 n ALA 87 N 12.62 -0.23 -2.36 0.00 0.00 -1.26 -4.81 120.51 124.46 3df4 n ALA 87 Ca 0.54 0.23 -0.19 0.00 0.00 0.00 0.00 53.44 54.03 3df4 n ALA 87 Cb 0.25 -2.01 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 3df4 n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3df4 s ARG 88 N -1.89 1.38 0.11 0.00 1.81 -1.26 -4.23 118.95 114.87 3df4 s ARG 88 Ca 0.63 -1.67 -0.36 0.00 -1.72 0.00 0.00 55.73 52.62 3df4 s ARG 88 Cb -0.58 -0.95 -0.17 0.00 -0.45 0.00 0.00 34.95 32.80 3df4 s ARG 88 CO 0.57 0.05 1.21 -2.30 -0.68 0.00 0.00 175.30 174.15 3df4 n PRO 89 N -0.44 0.92 -0.22 3.54 -0.02 -1.26 -4.68 135.00 132.84 3df4 n PRO 89 Ca -0.07 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3df4 n PRO 89 Cb 0.62 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3df4 n PRO 89 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3df4 n GLN 90 N 2.04 3.68 -2.84 -0.52 6.02 -1.26 -4.93 117.38 119.57 3df4 n GLN 90 Ca 0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.14 3df4 n GLN 90 Cb 0.19 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.46 3df4 n GLN 90 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3df4 s ASP 91 N 0.61 -1.24 0.00 1.08 2.15 -1.26 -4.12 116.67 113.89 3df4 s ASP 91 Ca 0.00 -1.26 0.00 0.00 0.43 0.00 0.00 52.55 51.72 3df4 s ASP 91 Cb 0.00 1.62 0.00 0.00 -0.30 0.00 0.00 42.92 44.24 3df4 s ASP 91 CO 0.00 -0.07 0.48 1.41 -0.17 0.00 0.00 175.17 176.82 3df4 n HIS 92 N 3.24 0.00 -2.60 -5.34 8.25 -1.26 -4.81 115.22 112.69 3df4 n HIS 92 Ca 0.15 -0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 3df4 n HIS 92 Cb 0.58 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 3df4 n HIS 92 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3df4 s SER 93 N 0.91 7.17 0.21 0.41 0.01 -1.26 -2.67 113.70 118.47 3df4 s SER 93 Ca 0.00 1.62 0.00 0.00 1.31 0.00 0.00 55.95 58.88 3df4 s SER 93 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3df4 s SER 93 CO 0.00 -0.51 0.00 0.00 0.41 0.00 0.00 173.24 173.14 3df4 n GLN 94 N 5.17 1.02 -0.01 12.44 6.02 -1.26 -4.99 117.38 135.77 3df4 n GLN 94 Ca 0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.07 3df4 n GLN 94 Cb 0.48 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.73 3df4 n GLN 94 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3df4 n LYS 95 N -0.85 0.08 -2.92 -1.09 4.81 -1.26 -5.08 118.16 111.85 3df4 n LYS 95 Ca 0.00 0.03 -0.11 0.00 -0.87 0.00 0.00 58.31 57.36 3df4 n LYS 95 Cb 0.00 -0.47 0.01 0.00 0.02 0.00 0.00 35.03 34.60 3df4 n LYS 95 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3df4 n VAL 96 N -2.98-10.25 -1.01 3.15 0.31 -1.26 -4.90 118.33 101.39 3df4 n VAL 96 Ca -0.02 0.86 -0.36 0.00 -0.01 0.00 0.00 64.34 64.81 3df4 n VAL 96 Cb 0.08 -6.81 0.05 0.00 -0.91 0.00 0.00 33.84 26.25 3df4 n VAL 96 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3df4 n ASN 97 N -0.21 -5.12 -0.24 4.52 6.94 -1.26 -4.57 115.26 115.32 3df4 n ASN 97 Ca 0.09 0.26 -0.06 0.00 -0.02 0.00 0.00 54.58 54.84 3df4 n ASN 97 Cb 0.46 -0.84 -0.01 0.00 -2.36 0.00 0.00 39.78 37.02 3df4 n ASN 97 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3df4 h LYS 98 N -0.95 -0.16 -0.20 -3.83 3.64 -2.00 -1.80 116.57 111.27 3df4 h LYS 98 Ca -0.44 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.85 3df4 h LYS 98 Cb 1.31 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3df4 h LYS 98 CO 0.27 -0.11 -0.31 0.87 -2.27 0.00 0.00 179.45 177.90 3df4 h LYS 99 N -0.17 0.39 0.00 1.90 1.57 -2.00 -1.99 116.57 116.28 3df4 h LYS 99 Ca 0.22 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3df4 h LYS 99 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3df4 h LYS 99 CO -0.74 0.67 0.00 -1.33 -0.57 0.00 0.00 179.45 177.48 3df4 n MET 100 N -4.09 0.15 -0.10 3.15 2.81 -0.73 -1.90 117.12 116.41 3df4 n MET 100 Ca -0.01 0.16 -0.17 0.00 -1.81 0.00 0.00 57.70 55.87 3df4 n MET 100 Cb 0.43 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.36 3df4 n MET 100 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 3df4 n TYR 101 N -1.37 0.84 -0.02 2.03 9.36 -0.78 -3.61 117.16 123.62 3df4 n TYR 101 Ca 0.07 0.36 -0.09 0.00 3.32 0.00 0.00 57.90 61.56 3df4 n TYR 101 Cb 0.16 -0.97 -0.03 0.00 -0.63 0.00 0.00 39.34 37.88 3df4 n TYR 101 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3df4 h ARG 102 N -1.00 -0.15 -0.90 2.98 2.47 -1.38 0.18 114.38 116.57 3df4 h ARG 102 Ca -0.27 0.01 0.25 0.00 -1.26 0.00 0.00 59.98 58.71 3df4 h ARG 102 Cb 1.10 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.41 3df4 h ARG 102 CO -0.17 -0.10 0.64 0.78 0.56 0.00 0.00 179.97 181.69 3df4 h GLY 103 N -0.15 0.16 0.51 0.04 0.00 -1.57 -1.35 103.07 100.69 3df4 h GLY 103 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 3df4 h GLY 103 CO -0.26 -0.01 -0.24 0.00 0.00 0.00 0.00 176.54 176.03 3df4 h ALA 104 N 1.56 -0.69 0.00 3.60 0.00 -0.75 -2.22 119.26 120.76 3df4 h ALA 104 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3df4 h ALA 104 Cb 1.64 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3df4 h ALA 104 CO -0.04 -0.64 0.00 1.28 0.00 0.00 0.00 179.25 179.85 3df4 n LEU 105 N -5.17 3.06 0.00 0.00 4.77 -0.53 -1.13 117.00 118.00 3df4 n LEU 105 Ca -0.08 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 3df4 n LEU 105 Cb 0.27 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3df4 n LEU 105 CO 0.20 0.58 0.00 0.29 -1.33 0.00 0.00 177.39 177.13 3df4 n LYS 106 N 1.71 0.00 0.13 3.23 5.02 -1.10 -4.55 118.16 122.60 3df4 n LYS 106 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3df4 n LYS 106 Cb 0.29 -0.03 0.14 0.00 -0.02 0.00 0.00 35.03 35.41 3df4 n LYS 106 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3df4 h SER 107 N 0.00 0.00 0.37 4.39 0.87 -0.94 0.93 113.55 119.17 3df4 h SER 107 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3df4 h SER 107 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3df4 h SER 107 CO 0.00 0.64 -0.48 0.00 -0.53 0.00 0.00 176.83 176.46 3df4 n ILE 108 N -3.68 0.00 -0.11 2.23 3.06 -0.29 -3.13 119.36 117.44 3df4 n ILE 108 Ca -0.01 -0.04 -0.16 0.00 -2.50 0.00 0.00 62.75 60.04 3df4 n ILE 108 Cb 0.66 0.38 -0.05 0.00 0.54 0.00 0.00 39.64 41.16 3df4 n ILE 108 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3df4 n LEU 109 N -1.24 1.95 -0.26 9.51 7.94 -0.97 -4.24 117.00 129.69 3df4 n LEU 109 Ca 0.07 0.33 0.12 0.00 -1.11 0.00 0.00 56.01 55.43 3df4 n LEU 109 Cb 0.34 -0.77 0.39 0.00 0.53 0.00 0.00 43.42 43.91 3df4 n LEU 109 CO 0.33 0.02 1.22 -1.28 -1.11 0.00 0.00 177.39 176.57 3df4 h SER 110 N -1.00 0.62 -0.47 1.96 0.87 0.81 0.05 113.55 116.39 3df4 h SER 110 Ca -0.25 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.44 3df4 h SER 110 Cb 1.21 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 63.01 3df4 h SER 110 CO -0.15 0.32 0.03 -0.08 -0.53 0.00 0.00 176.83 176.42 3df4 h GLU 111 N 0.66 0.15 -0.79 2.24 4.22 -1.71 0.10 114.58 119.44 3df4 h GLU 111 Ca 0.44 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.90 3df4 h GLU 111 Cb 0.73 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 3df4 h GLU 111 CO -0.19 0.10 0.50 -0.07 -2.18 0.00 0.00 179.01 177.17 3df4 h LEU 112 N 0.15 0.83 0.00 1.64 3.38 -1.17 0.44 115.31 120.58 3df4 h LEU 112 Ca 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3df4 h LEU 112 Cb 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3df4 h LEU 112 CO -0.37 0.57 0.00 0.52 0.09 0.00 0.00 178.44 179.25 3df4 n VAL 113 N -4.60 0.00 -0.49 1.22 0.31 0.29 -0.73 118.33 114.32 3df4 n VAL 113 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3df4 n VAL 113 Cb 0.10 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 3df4 n VAL 113 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3df4 n ARG 114 N -0.68 1.61 -1.39 5.55 1.74 0.15 -4.74 116.66 118.91 3df4 n ARG 114 Ca 0.03 -1.07 0.02 0.00 -0.77 0.00 0.00 57.85 56.06 3df4 n ARG 114 Cb 0.01 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3df4 n ARG 114 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3df4 n GLN 115 N -0.29 0.00 -1.12 5.56 6.02 0.09 -4.98 117.38 122.65 3df4 n GLN 115 Ca 0.00 -1.79 -0.06 0.00 -0.01 0.00 0.00 57.00 55.14 3df4 n GLN 115 Cb 0.37 0.08 -0.03 0.00 1.02 0.00 0.00 30.24 31.69 3df4 n GLN 115 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3df4 n ASP 116 N 0.40 -1.70 -0.18 1.08 5.68 -1.08 -4.71 116.55 116.03 3df4 n ASP 116 Ca -0.00 0.15 0.14 0.00 -0.50 0.00 0.00 54.79 54.58 3df4 n ASP 116 Cb 1.06 -1.81 0.61 0.00 -1.14 0.00 0.00 41.12 39.84 3df4 n ASP 116 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3df4 n ARG 117 N -1.30 0.93 -4.00 0.11 1.74 -1.05 -4.66 116.66 108.43 3df4 n ARG 117 Ca -0.06 -0.37 -0.30 0.00 -0.77 0.00 0.00 57.85 56.35 3df4 n ARG 117 Cb 0.21 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 29.99 3df4 n ARG 117 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3df4 s LEU 118 N -2.32 2.05 -0.28 0.55 0.20 -1.24 0.32 118.68 117.96 3df4 s LEU 118 Ca 0.33 -0.75 0.00 0.00 0.69 0.00 0.00 54.13 54.40 3df4 s LEU 118 Cb 0.20 -1.20 0.08 0.00 -0.43 0.00 0.00 46.19 44.85 3df4 s LEU 118 CO 0.44 -0.12 0.04 -0.63 -0.29 0.00 0.00 176.35 175.79 3df4 s ILE 119 N 1.44 1.24 0.30 6.68 -1.09 0.37 -4.86 121.20 125.28 3df4 s ILE 119 Ca 0.01 -1.38 -0.17 0.00 -2.23 0.00 0.00 60.65 56.88 3df4 s ILE 119 Cb -0.15 -1.78 -0.09 0.00 -1.58 0.00 0.00 42.46 38.86 3df4 s ILE 119 CO -0.09 -0.43 0.75 0.54 -1.23 0.00 0.00 174.94 174.48 3df4 s VAL 120 N 1.47 4.62 -0.00 2.92 0.11 -1.19 -4.24 120.40 124.09 3df4 s VAL 120 Ca 0.04 1.09 -0.05 0.00 -2.93 0.00 0.00 61.98 60.13 3df4 s VAL 120 Cb -0.18 -3.68 -0.00 0.00 -1.53 0.00 0.00 36.38 30.99 3df4 s VAL 120 CO -0.15 -0.09 0.10 0.68 -3.33 0.00 0.00 175.10 172.32 3df4 s VAL 121 N -1.87 0.07 -0.93 2.04 -7.23 -1.26 -3.89 120.40 107.33 3df4 s VAL 121 Ca 0.52 -0.60 -0.24 0.00 -1.81 0.00 0.00 61.98 59.84 3df4 s VAL 121 Cb -0.12 -0.35 -0.02 0.00 0.56 0.00 0.00 36.38 36.44 3df4 s VAL 121 CO 0.18 -0.33 1.82 -1.83 -0.31 0.00 0.00 175.10 174.63 3df4 s GLU 122 N -1.13 2.81 0.03 4.82 4.04 -1.26 -2.77 118.70 125.24 3df4 s GLU 122 Ca -0.12 -0.49 0.00 0.00 0.04 0.00 0.00 54.97 54.40 3df4 s GLU 122 Cb -0.07 -5.13 0.00 0.00 0.02 0.00 0.00 34.13 28.95 3df4 s GLU 122 CO 0.01 -3.08 0.00 1.63 -1.84 0.00 0.00 175.26 171.98 3df4 n LYS 123 N 8.87 -0.24 -3.72 -4.83 5.02 -1.26 -5.02 118.16 116.98 3df4 n LYS 123 Ca 0.38 0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.73 3df4 n LYS 123 Cb 0.48 -0.20 -0.12 0.00 -0.02 0.00 0.00 35.03 35.17 3df4 n LYS 123 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3df4 s PHE 124 N -2.43 -0.44 0.25 2.13 2.19 -1.26 -5.04 117.98 113.38 3df4 s PHE 124 Ca 0.00 0.99 -0.21 0.00 0.33 0.00 0.00 56.93 58.04 3df4 s PHE 124 Cb 0.00 0.14 0.06 0.00 -1.31 0.00 0.00 43.02 41.91 3df4 s PHE 124 CO 0.00 -0.28 0.89 0.45 1.83 0.00 0.00 175.22 178.12 3df4 s SER 125 N 1.28 -0.09 0.06 6.13 0.15 -1.26 -5.04 113.70 114.93 3df4 s SER 125 Ca -0.09 -0.71 0.06 0.00 0.70 0.00 0.00 55.95 55.91 3df4 s SER 125 Cb -0.09 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 3df4 s SER 125 CO -0.10 -1.21 -0.15 0.54 1.20 0.00 0.00 173.24 173.51 3df4 s VAL 126 N -2.84 1.23 0.00 4.45 0.11 -1.26 -5.04 120.40 117.04 3df4 s VAL 126 Ca 0.15 -1.23 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 3df4 s VAL 126 Cb -0.03 -1.14 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 3df4 s VAL 126 CO 0.06 -0.10 0.49 -0.62 -3.33 0.00 0.00 175.10 171.61 3df4 n GLU 127 N 1.50 0.00 -4.48 1.54 -0.58 -1.26 -4.83 120.64 112.53 3df4 n GLU 127 Ca -0.20 0.09 -0.23 0.00 -0.42 0.00 0.00 57.16 56.40 3df4 n GLU 127 Cb 0.54 -0.99 -0.10 0.00 -0.57 0.00 0.00 31.44 30.31 3df4 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3df4 s ALA 128 N -2.19 2.62 -0.99 0.62 0.00 -1.26 -5.03 121.76 115.53 3df4 s ALA 128 Ca 0.00 -1.99 -0.25 0.00 0.00 0.00 0.00 51.96 49.73 3df4 s ALA 128 Cb 0.00 0.08 -0.22 0.00 0.00 0.00 0.00 23.12 22.98 3df4 s ALA 128 CO 0.00 0.00 2.04 -2.30 0.00 0.00 0.00 175.76 175.50 3df4 n PRO 129 N -0.68 0.10 -3.43 0.00 -0.02 -1.26 -4.79 135.00 124.92 3df4 n PRO 129 Ca -0.05 -1.54 -0.15 0.00 -2.02 0.00 0.00 63.50 59.74 3df4 n PRO 129 Cb 0.63 -3.71 -0.11 0.00 -0.02 0.00 0.00 33.50 30.30 3df4 n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3df4 s LYS 130 N 8.30 0.26 0.58 -0.52 -0.14 -1.26 -4.98 119.74 121.98 3df4 s LYS 130 Ca 0.76 0.32 0.29 0.00 -1.36 0.00 0.00 55.97 55.97 3df4 s LYS 130 Cb -0.05 -0.90 1.49 0.00 -1.68 0.00 0.00 37.83 36.69 3df4 s LYS 130 CO 0.17 -0.67 1.93 1.79 -0.76 0.00 0.00 175.35 177.81 3df4 h THR 131 N 6.26 0.41 -0.50 2.17 1.35 -1.86 0.44 112.91 121.17 3df4 h THR 131 Ca -0.18 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.58 3df4 h THR 131 Cb 1.15 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 3df4 h THR 131 CO 0.28 0.00 -0.08 0.50 -0.25 0.00 0.00 175.52 175.97 3df4 h LYS 132 N 0.00 0.94 0.96 4.72 3.64 -1.95 0.23 116.57 125.11 3df4 h LYS 132 Ca 0.21 -0.34 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3df4 h LYS 132 Cb 1.11 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.88 3df4 h LYS 132 CO -0.00 1.00 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.65 3df4 h LEU 133 N 0.80 -1.09 -1.26 5.20 3.38 -0.47 -0.70 115.31 121.17 3df4 h LEU 133 Ca 0.13 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.32 3df4 h LEU 133 Cb 0.63 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 3df4 h LEU 133 CO 0.04 -0.77 0.60 0.25 0.09 0.00 0.00 178.44 178.65 3df4 h LEU 134 N -1.30 0.62 -1.50 1.67 5.85 -1.47 0.72 115.31 119.89 3df4 h LEU 134 Ca -0.13 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.73 3df4 h LEU 134 Cb 0.99 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 3df4 h LEU 134 CO 0.22 0.26 0.43 0.00 -0.34 0.00 0.00 178.44 179.01 3df4 h ALA 135 N 1.61 1.84 0.53 1.25 0.00 0.11 -0.46 119.26 124.14 3df4 h ALA 135 Ca 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 3df4 h ALA 135 Cb 0.94 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.60 3df4 h ALA 135 CO -0.26 0.04 -0.25 0.37 0.00 0.00 0.00 179.25 179.15 3df4 h GLN 136 N 0.59 -0.68 -0.79 0.00 5.75 0.19 -0.46 115.11 119.71 3df4 h GLN 136 Ca 0.29 0.05 0.12 0.00 -0.15 0.00 0.00 58.65 58.96 3df4 h GLN 136 Cb 0.38 0.16 -0.13 0.00 1.07 0.00 0.00 27.48 28.95 3df4 h GLN 136 CO -0.09 -0.46 -0.38 -0.22 -2.65 0.00 0.00 178.83 175.03 3df4 h LYS 137 N -1.15 -0.09 0.08 1.69 1.63 -1.04 0.42 116.57 118.10 3df4 h LYS 137 Ca -0.07 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3df4 h LYS 137 Cb 0.54 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.14 3df4 h LYS 137 CO 0.12 -0.06 -0.40 -0.07 -3.45 0.00 0.00 179.45 175.59 3df4 h LEU 138 N -0.09 -1.19 -0.45 5.20 3.38 -1.13 0.29 115.31 121.31 3df4 h LEU 138 Ca 0.28 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.43 3df4 h LEU 138 Cb 0.57 0.46 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 3df4 h LEU 138 CO -0.83 -0.47 -0.53 0.50 0.09 0.00 0.00 178.44 177.20 3df4 h LYS 139 N -0.61 -0.32 -0.30 1.13 3.64 0.12 0.72 116.57 120.96 3df4 h LYS 139 Ca 0.03 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3df4 h LYS 139 Cb 0.65 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 3df4 h LYS 139 CO -0.26 -0.21 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.24 3df4 h ASP 140 N -0.33 -0.17 0.00 4.20 3.45 -0.02 0.31 116.42 123.87 3df4 h ASP 140 Ca 0.08 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.61 3df4 h ASP 140 Cb 0.54 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3df4 h ASP 140 CO -0.60 -0.05 0.00 0.23 -1.57 0.00 0.00 179.24 177.25 3df4 n MET 141 N -5.19 0.63 -3.56 3.56 2.81 1.00 -4.89 117.12 111.47 3df4 n MET 141 Ca -0.00 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.71 3df4 n MET 141 Cb 0.16 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 3df4 n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3df4 n ALA 142 N -0.96 -2.70 -2.98 3.04 0.00 0.24 -5.00 120.51 112.16 3df4 n ALA 142 Ca 0.14 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 3df4 n ALA 142 Cb 0.06 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.21 3df4 n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3df4 s LEU 143 N -4.80 1.66 -0.03 0.00 1.43 -0.54 -5.01 118.68 111.38 3df4 s LEU 143 Ca 0.04 0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.20 3df4 s LEU 143 Cb -0.02 0.34 0.01 0.00 0.03 0.00 0.00 46.19 46.55 3df4 s LEU 143 CO 0.85 -0.07 0.16 -1.83 0.23 0.00 0.00 176.35 175.69 3df4 s GLU 144 N -0.11 0.33 -0.98 1.70 -1.05 -1.26 -4.53 118.70 112.81 3df4 s GLU 144 Ca -0.02 -0.04 -0.04 0.00 -0.15 0.00 0.00 54.97 54.72 3df4 s GLU 144 Cb -0.02 0.15 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 3df4 s GLU 144 CO 0.00 -0.07 0.85 -3.47 0.95 0.00 0.00 175.26 173.52 3df4 n ASP 145 N 2.30 -5.47 -4.79 0.83 -0.08 -0.27 -4.48 116.55 104.59 3df4 n ASP 145 Ca -0.17 -0.63 -0.24 0.00 -1.51 0.00 0.00 54.79 52.24 3df4 n ASP 145 Cb 0.57 -4.77 -0.05 0.00 2.34 0.00 0.00 41.12 39.22 3df4 n ASP 145 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3df4 s VAL 146 N -3.35 4.35 -0.31 5.18 1.01 -1.22 -1.17 120.40 124.89 3df4 s VAL 146 Ca 0.34 -1.28 0.23 0.00 0.00 0.00 0.00 61.98 61.27 3df4 s VAL 146 Cb -0.04 -3.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 3df4 s VAL 146 CO 0.67 -0.22 0.91 -0.11 0.00 0.00 0.00 175.10 176.35 3df4 n LEU 147 N -0.69 0.57 -2.43 3.92 -0.00 -0.63 -2.76 117.00 114.99 3df4 n LEU 147 Ca -0.08 0.14 -0.04 0.00 -0.00 0.00 0.00 56.01 56.02 3df4 n LEU 147 Cb 0.56 -0.06 -0.01 0.00 -0.00 0.00 0.00 43.42 43.91 3df4 n LEU 147 CO 0.43 -0.07 -0.02 -0.38 -0.00 0.00 0.00 177.39 177.35 3df4 n ILE 148 N -2.34 0.00 -1.55 1.96 2.08 -1.25 -3.85 119.36 114.41 3df4 n ILE 148 Ca -0.00 0.00 -0.39 0.00 0.56 0.00 0.00 62.75 62.91 3df4 n ILE 148 Cb 0.52 -0.05 -0.04 0.00 -0.75 0.00 0.00 39.64 39.32 3df4 n ILE 148 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3df4 n ILE 149 N -2.30 0.05 0.00 1.39 3.06 -1.26 -4.01 119.36 116.29 3df4 n ILE 149 Ca 0.01 -0.61 0.00 0.00 -2.50 0.00 0.00 62.75 59.65 3df4 n ILE 149 Cb 0.42 -2.49 0.00 0.00 0.54 0.00 0.00 39.64 38.12 3df4 n ILE 149 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 3df4 n THR 150 N 7.84 0.00 -0.01 9.51 5.66 -0.05 -1.62 114.28 135.61 3df4 n THR 150 Ca 0.38 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.38 3df4 n THR 150 Cb 0.46 -1.55 0.00 0.00 -1.55 0.00 0.00 70.33 67.68 3df4 n THR 150 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3df4 n GLY 151 N 4.29 0.90 0.00 1.09 0.00 -1.26 -4.05 105.19 106.16 3df4 n GLY 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df4 n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3df4 n GLU 152 N -0.73 2.69 -0.93 1.61 4.07 -1.26 -4.45 120.64 121.65 3df4 n GLU 152 Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 3df4 n GLU 152 Cb 0.00 -0.22 -0.05 0.00 -0.06 0.00 0.00 31.44 31.11 3df4 n GLU 152 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3df4 n LEU 153 N 0.00 -0.62 -3.65 4.31 0.00 -1.26 -5.02 117.00 110.76 3df4 n LEU 153 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 56.01 57.45 3df4 n LEU 153 Cb 0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 43.42 40.90 3df4 n LEU 153 CO 0.00 -1.64 0.86 1.51 0.00 0.00 0.00 177.39 178.12 3df4 s ASP 154 N -6.26 -0.26 0.00 1.96 1.47 -1.26 -5.01 116.67 107.31 3df4 s ASP 154 Ca 0.00 0.42 0.00 0.00 1.18 0.00 0.00 52.55 54.15 3df4 s ASP 154 Cb 0.00 1.09 0.00 0.00 -0.34 0.00 0.00 42.92 43.67 3df4 s ASP 154 CO 0.00 -0.07 0.43 -0.62 0.68 0.00 0.00 175.17 175.59 3df4 n GLU 155 N 3.32 0.00 -0.01 2.11 -0.58 -1.26 -0.91 120.64 123.32 3df4 n GLU 155 Ca -0.18 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.56 3df4 n GLU 155 Cb 0.57 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 29.96 3df4 n GLU 155 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 3df4 h ASN 156 N 0.00 0.00 0.41 1.62 -1.24 -1.97 -2.28 115.58 112.12 3df4 h ASN 156 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 3df4 h ASN 156 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3df4 h ASN 156 CO 0.00 0.10 -0.20 0.25 -1.29 0.00 0.00 177.43 176.29 3df4 h LEU 157 N -0.16 0.00 -0.30 0.34 5.85 -1.83 -1.97 115.31 117.22 3df4 h LEU 157 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3df4 h LEU 157 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3df4 h LEU 157 CO 0.00 0.20 0.00 0.15 -0.34 0.00 0.00 178.44 178.45 3df4 h PHE 158 N 0.00 0.58 0.00 1.25 -0.00 -1.18 -1.23 116.94 116.36 3df4 h PHE 158 Ca -0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 57.97 57.87 3df4 h PHE 158 Cb 0.45 -0.15 -0.00 0.00 -0.00 0.00 0.00 35.95 36.25 3df4 h PHE 158 CO 0.00 0.66 -0.01 -0.07 -0.00 0.00 0.00 178.31 178.90 3df4 h LEU 159 N 0.33 0.00-10.55 0.59 4.07 -0.75 -3.38 115.31 105.62 3df4 h LEU 159 Ca 0.09 0.00 -0.46 0.00 0.08 0.00 0.00 57.88 57.59 3df4 h LEU 159 Cb 0.43 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.24 3df4 h LEU 159 CO 0.01 0.01 0.19 0.00 -1.08 0.00 0.00 178.44 177.57 3df4 s ALA 160 N -4.16 3.27 0.00 1.53 0.00 -0.46 -3.83 121.76 118.11 3df4 s ALA 160 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3df4 s ALA 160 Cb 0.13 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.72 3df4 s ALA 160 CO 0.45 -1.17 0.00 0.00 0.00 0.00 0.00 175.76 175.04 3df4 n ALA 161 N -2.81 0.00 -0.59 0.00 0.00 -1.26 -4.84 120.51 111.02 3df4 n ALA 161 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3df4 n ALA 161 Cb 0.60 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.37 3df4 n ALA 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df4 n ARG 162 N -2.00 0.00 0.00 0.00 1.74 -1.25 -2.73 116.66 112.42 3df4 n ARG 162 Ca 0.00 0.21 0.01 0.00 -0.77 0.00 0.00 57.85 57.30 3df4 n ARG 162 Cb 0.00 -1.08 0.05 0.00 -1.02 0.00 0.00 32.46 30.40 3df4 n ARG 162 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3df4 n ASN 163 N -1.12 0.00 -4.62 0.55 5.03 -1.26 -4.41 115.26 109.44 3df4 n ASN 163 Ca 0.00 0.44 -0.43 0.00 0.87 0.00 0.00 54.58 55.46 3df4 n ASN 163 Cb 0.00 -0.45 -0.03 0.00 -1.02 0.00 0.00 39.78 38.28 3df4 n ASN 163 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3df4 s LEU 164 N -2.89 3.96 0.00 3.41 1.43 -1.11 -4.99 118.68 118.49 3df4 s LEU 164 Ca 0.01 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 3df4 s LEU 164 Cb 0.01 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.87 3df4 s LEU 164 CO 0.04 -0.87 0.20 1.57 0.23 0.00 0.00 176.35 177.51 3df4 n HIS 165 N 6.83 0.00 -1.08 0.29 -0.00 -1.26 -4.21 115.22 115.79 3df4 n HIS 165 Ca 0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.47 3df4 n HIS 165 Cb 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.36 3df4 n HIS 165 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3df4 n LYS 166 N -0.20 0.40 0.00 1.57 4.76 -1.26 -4.69 118.16 118.74 3df4 n LYS 166 Ca 0.00 -1.48 0.00 0.00 -2.87 0.00 0.00 58.31 53.96 3df4 n LYS 166 Cb 0.00 -3.12 0.00 0.00 -1.84 0.00 0.00 35.03 30.07 3df4 n LYS 166 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3df4 n VAL 167 N 7.58 0.00 -3.64 -0.18 3.14 -1.26 -1.12 118.33 122.86 3df4 n VAL 167 Ca 0.45 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.77 3df4 n VAL 167 Cb 0.44 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.15 3df4 n VAL 167 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3df4 s ASP 168 N 0.00 -0.73 0.11 6.55 3.68 -1.11 -4.81 116.67 120.36 3df4 s ASP 168 Ca 0.00 1.20 -0.17 0.00 2.13 0.00 0.00 52.55 55.72 3df4 s ASP 168 Cb 0.00 1.29 -0.07 0.00 -1.45 0.00 0.00 42.92 42.69 3df4 s ASP 168 CO 0.00 -0.19 0.56 0.68 0.13 0.00 0.00 175.17 176.35 3df4 s VAL 169 N 1.29 4.80 0.26 1.11 -7.23 -1.25 -3.96 120.40 115.41 3df4 s VAL 169 Ca -0.08 1.02 0.01 0.00 -1.81 0.00 0.00 61.98 61.13 3df4 s VAL 169 Cb -0.05 -3.81 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 3df4 s VAL 169 CO -0.15 0.39 0.09 -0.13 -0.31 0.00 0.00 175.10 174.99 3df4 s ARG 170 N -1.55 1.41 0.42 4.82 0.52 -1.25 -4.95 118.95 118.36 3df4 s ARG 170 Ca 0.34 -1.76 0.08 0.00 -0.52 0.00 0.00 55.73 53.87 3df4 s ARG 170 Cb -0.17 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.01 3df4 s ARG 170 CO 0.19 -0.28 0.50 0.34 0.02 0.00 0.00 175.30 176.07 3df4 s ASP 171 N -3.31 5.41 0.25 0.23 2.15 -1.26 -0.88 116.67 119.26 3df4 s ASP 171 Ca 0.37 -0.56 -0.05 0.00 0.43 0.00 0.00 52.55 52.75 3df4 s ASP 171 Cb 0.08 -0.60 0.47 0.00 -0.30 0.00 0.00 42.92 42.57 3df4 s ASP 171 CO 0.13 -0.73 1.68 0.00 -0.17 0.00 0.00 175.17 176.08 3df4 h ALA 172 N 0.78 0.96 0.00 3.66 0.00 -1.78 0.41 119.26 123.29 3df4 h ALA 172 Ca -0.40 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 3df4 h ALA 172 Cb 1.28 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3df4 h ALA 172 CO 0.50 -0.34 -0.70 1.79 0.00 0.00 0.00 179.25 180.50 3df4 h THR 173 N 0.26 1.25 0.00 0.00 1.35 -1.94 -3.16 112.91 110.68 3df4 h THR 173 Ca 0.42 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 3df4 h THR 173 Cb 0.72 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 3df4 h THR 173 CO -0.52 0.68 0.06 0.61 -0.25 0.00 0.00 175.52 176.11 3df4 n GLY 174 N 1.10 -0.41 3.45 5.82 0.00 0.14 -4.75 105.19 110.55 3df4 n GLY 174 Ca 0.01 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 3df4 n GLY 174 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3df4 n ILE 175 N -1.40 1.27 -4.14 -0.61 3.06 -1.06 -4.73 119.36 111.75 3df4 n ILE 175 Ca 0.00 -0.32 -0.20 0.00 -2.50 0.00 0.00 62.75 59.73 3df4 n ILE 175 Cb 0.06 -0.11 -0.16 0.00 0.54 0.00 0.00 39.64 39.97 3df4 n ILE 175 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3df4 s ASP 176 N -0.58 0.98 0.06 9.51 -1.08 -1.26 -5.07 116.67 119.23 3df4 s ASP 176 Ca 0.73 -0.13 -0.37 0.00 -0.52 0.00 0.00 52.55 52.27 3df4 s ASP 176 Cb -1.02 -0.45 -0.20 0.00 -1.46 0.00 0.00 42.92 39.79 3df4 s ASP 176 CO 0.56 -0.06 1.54 -0.65 0.52 0.00 0.00 175.17 177.08 3df4 h PRO 177 N 7.23 -1.28 0.00 4.34 0.11 -1.99 0.43 132.00 140.85 3df4 h PRO 177 Ca -0.37 0.09 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3df4 h PRO 177 Cb 1.15 0.29 -0.00 0.00 0.11 0.00 0.00 31.00 32.55 3df4 h PRO 177 CO 0.46 -0.85 -0.01 -0.24 -0.21 0.00 0.00 178.00 177.15 3df4 h VAL 178 N -1.34 0.18 0.20 3.15 3.04 -1.96 -2.46 116.25 117.07 3df4 h VAL 178 Ca -0.14 -0.08 -0.34 0.00 -1.01 0.00 0.00 66.70 65.13 3df4 h VAL 178 Cb 1.02 1.07 0.02 0.00 -2.01 0.00 0.00 31.29 31.38 3df4 h VAL 178 CO 0.22 0.01 -1.64 0.28 -1.01 0.00 0.00 177.57 175.43 3df4 h SER 179 N 0.00 0.67 -0.44 3.17 0.02 -1.85 -2.28 113.55 112.84 3df4 h SER 179 Ca -0.00 -0.93 0.11 0.00 -0.84 0.00 0.00 61.79 60.13 3df4 h SER 179 Cb 0.07 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3df4 h SER 179 CO 0.00 1.75 0.31 -0.07 -1.14 0.00 0.00 176.83 177.69 3df4 h LEU 180 N 0.08 0.08 0.00 5.07 3.38 -0.42 0.44 115.31 123.94 3df4 h LEU 180 Ca -0.32 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 3df4 h LEU 180 Cb 2.09 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.81 3df4 h LEU 180 CO 0.20 0.05 -1.15 -0.29 0.09 0.00 0.00 178.44 177.33 3df4 h ILE 181 N 0.09 0.31 -4.52 1.22 2.10 -1.62 -3.47 117.51 111.61 3df4 h ILE 181 Ca 0.21 -1.59 -0.47 0.00 1.08 0.00 0.00 64.86 64.08 3df4 h ILE 181 Cb 0.72 1.85 0.10 0.00 -1.09 0.00 0.00 36.82 38.40 3df4 h ILE 181 CO -0.02 0.18 0.39 0.00 -1.08 0.00 0.00 178.15 177.62 3df4 s ALA 182 N -3.10 2.53 0.17 0.18 0.00 0.16 -4.92 121.76 116.78 3df4 s ALA 182 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3df4 s ALA 182 Cb 0.09 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3df4 s ALA 182 CO 0.79 -1.69 0.00 1.19 0.00 0.00 0.00 175.76 176.06 3df4 n PHE 183 N -3.34 -1.74 -0.12 0.00 3.01 -1.26 -4.79 117.46 109.21 3df4 n PHE 183 Ca 0.08 0.88 -0.25 0.00 1.01 0.00 0.00 57.45 59.16 3df4 n PHE 183 Cb 0.60 -1.58 -0.11 0.00 -0.01 0.00 0.00 39.48 38.38 3df4 n PHE 183 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3df4 n ASP 184 N -2.69 1.96 -4.18 4.37 8.00 -0.31 -5.04 116.55 118.66 3df4 n ASP 184 Ca 0.00 0.23 -0.11 0.00 0.71 0.00 0.00 54.79 55.63 3df4 n ASP 184 Cb 0.32 -0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 40.56 3df4 n ASP 184 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3df4 s LYS 185 N -2.49 0.89 0.03 -1.24 1.02 -1.06 -4.67 119.74 112.22 3df4 s LYS 185 Ca -0.35 -1.39 0.03 0.00 0.02 0.00 0.00 55.97 54.29 3df4 s LYS 185 Cb 0.12 -0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 3df4 s LYS 185 CO 0.55 -0.08 -0.10 0.54 -0.92 0.00 0.00 175.35 175.34 3df4 s VAL 186 N -3.71 0.79 0.00 3.17 0.11 0.15 -1.60 120.40 119.31 3df4 s VAL 186 Ca 0.16 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 3df4 s VAL 186 Cb 0.06 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 3df4 s VAL 186 CO -0.02 -0.09 0.00 0.52 -3.33 0.00 0.00 175.10 172.17 3df4 n VAL 187 N 1.98 0.00 -2.43 2.04 0.31 -1.26 -0.48 118.33 118.49 3df4 n VAL 187 Ca -0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.13 3df4 n VAL 187 Cb 0.55 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 3df4 n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3df4 n MET 188 N -0.63 -2.43 -0.65 5.55 0.00 -0.64 -3.20 117.12 115.13 3df4 n MET 188 Ca 0.00 2.10 -0.31 0.00 0.00 0.00 0.00 57.70 59.49 3df4 n MET 188 Cb 0.00 -4.37 0.18 0.00 0.00 0.00 0.00 33.22 29.03 3df4 n MET 188 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3df4 n THR 189 N 0.31 0.00 -0.02 1.12 -2.24 -1.17 -4.21 114.28 108.08 3df4 n THR 189 Ca 0.02 -0.09 0.24 0.00 -2.27 0.00 0.00 64.05 61.95 3df4 n THR 189 Cb 0.08 -0.97 0.70 0.00 -2.10 0.00 0.00 70.33 68.05 3df4 n THR 189 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3df4 h ALA 190 N -2.01 2.40 0.06 6.98 0.00 -1.89 0.10 119.26 124.90 3df4 h ALA 190 Ca -0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3df4 h ALA 190 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3df4 h ALA 190 CO 0.42 -0.94 -0.03 0.22 0.00 0.00 0.00 179.25 178.92 3df4 h ASP 191 N 0.00 -0.07 -0.54 0.00 1.82 -1.88 -2.91 116.42 112.84 3df4 h ASP 191 Ca 0.29 -0.57 0.05 0.00 -0.39 0.00 0.00 57.03 56.41 3df4 h ASP 191 Cb 1.53 0.02 -0.05 0.00 0.68 0.00 0.00 39.33 41.52 3df4 h ASP 191 CO -0.00 0.61 0.28 0.00 -1.61 0.00 0.00 179.24 178.52 3df4 h ALA 192 N -0.08 0.70 -0.25 -0.78 0.00 -1.13 0.10 119.26 117.83 3df4 h ALA 192 Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3df4 h ALA 192 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3df4 h ALA 192 CO 0.01 -0.05 0.21 0.28 0.00 0.00 0.00 179.25 179.70 3df4 h VAL 193 N 0.55 0.69 0.06 0.00 2.07 -1.02 0.50 116.25 119.11 3df4 h VAL 193 Ca 0.24 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.52 3df4 h VAL 193 Cb 0.14 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3df4 h VAL 193 CO -0.16 0.00 -1.09 0.50 0.02 0.00 0.00 177.57 176.84 3df4 h LYS 194 N 0.00 0.18 0.06 1.57 3.64 -0.64 -3.14 116.57 118.24 3df4 h LYS 194 Ca 0.12 -0.28 -0.23 0.00 -1.27 0.00 0.00 60.65 58.99 3df4 h LYS 194 Cb 0.54 0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3df4 h LYS 194 CO -0.00 1.10 -0.93 1.96 -2.27 0.00 0.00 179.45 179.32 3df4 h GLN 195 N 0.06 0.53 -0.03 1.90 4.20 0.70 -3.07 115.11 119.41 3df4 h GLN 195 Ca -0.08 -0.64 0.01 0.00 0.06 0.00 0.00 58.65 58.00 3df4 h GLN 195 Cb 1.81 0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.79 3df4 h GLN 195 CO 0.17 1.26 0.05 0.28 -0.67 0.00 0.00 178.83 179.92 3df4 h VAL 196 N 0.09 0.32 -0.42 -0.54 2.07 -0.25 0.13 116.25 117.65 3df4 h VAL 196 Ca -0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3df4 h VAL 196 Cb 1.63 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3df4 h VAL 196 CO 0.18 0.00 0.22 -0.08 0.02 0.00 0.00 177.57 177.91 3df4 h GLU 197 N 0.00 0.59 0.07 1.57 4.57 -1.48 -2.29 114.58 117.62 3df4 h GLU 197 Ca 0.01 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3df4 h GLU 197 Cb 0.12 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3df4 h GLU 197 CO -0.00 0.49 -0.04 0.93 -1.18 0.00 0.00 179.01 179.21 3df4 h GLU 198 N 0.54 -0.10 -0.69 1.92 5.08 -1.05 -3.29 114.58 117.00 3df4 h GLU 198 Ca 0.15 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.77 3df4 h GLU 198 Cb 0.07 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.22 3df4 h GLU 198 CO -0.02 0.39 0.26 -0.12 -1.00 0.00 0.00 179.01 178.51 3df4 n MET 199 N -4.80 -0.05 -4.16 2.33 1.56 0.24 -4.17 117.12 108.08 3df4 n MET 199 Ca -0.06 0.97 -0.27 0.00 -0.27 0.00 0.00 57.70 58.06 3df4 n MET 199 Cb 0.26 -1.68 -0.07 0.00 2.15 0.00 0.00 33.22 33.88 3df4 n MET 199 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3df4 s LEU 200 N -9.33 3.44 0.00 -0.89 2.01 -0.86 -5.07 118.68 107.98 3df4 s LEU 200 Ca -0.07 -0.29 0.00 0.00 0.01 0.00 0.00 54.13 53.78 3df4 s LEU 200 Cb 0.22 -2.11 0.00 0.00 0.01 0.00 0.00 46.19 44.32 3df4 s LEU 200 CO 0.53 0.11 0.00 0.00 1.01 0.00 0.00 176.35 178.00