#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d n GLN 2 N 0.00 0.49 -1.95 0.03 6.02 -1.26 -4.65 117.38 116.07 3e1d n GLN 2 Ca 0.00 -2.33 -0.41 0.00 -0.01 0.00 0.00 57.00 54.25 3e1d n GLN 2 Cb 0.00 -0.54 -0.00 0.00 1.02 0.00 0.00 30.24 30.72 3e1d n GLN 2 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3e1d n VAL 3 N -0.05 4.27 -0.90 5.09 0.24 -1.26 -4.94 118.33 120.79 3e1d n VAL 3 Ca 0.10 -3.73 -0.33 0.00 -2.04 0.00 0.00 64.34 58.34 3e1d n VAL 3 Cb 0.98 -2.41 0.13 0.00 -1.47 0.00 0.00 33.84 31.07 3e1d n VAL 3 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3e1d n ILE 4 N 3.53 0.80 -0.19 1.34 -5.35 -1.26 -4.76 119.36 113.48 3e1d n ILE 4 Ca 0.53 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.86 3e1d n ILE 4 Cb 0.33 -0.93 0.00 0.00 -1.74 0.00 0.00 39.64 37.30 3e1d n ILE 4 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3e1d n LEU 5 N -2.74 0.00 0.00 7.28 -0.00 -1.26 -2.89 117.00 117.39 3e1d n LEU 5 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 3e1d n LEU 5 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 3e1d n LEU 5 CO 0.49 0.00 0.00 0.18 -0.00 0.00 0.00 177.39 178.06 3e1d n LEU 6 N 0.00 0.00 -4.66 1.47 4.32 -1.26 -4.94 117.00 111.92 3e1d n LEU 6 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.56 3e1d n LEU 6 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 3e1d n LEU 6 CO 0.00 0.00 1.08 -1.81 -1.22 0.00 0.00 177.39 175.44 3e1d s ASP 7 N -0.43 6.95 0.00 -1.43 1.11 -1.26 -1.41 116.67 120.20 3e1d s ASP 7 Ca 0.00 1.70 0.00 0.00 0.18 0.00 0.00 52.55 54.43 3e1d s ASP 7 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 3e1d s ASP 7 CO 0.00 -0.76 0.10 0.29 1.18 0.00 0.00 175.17 175.99 3e1d n LYS 8 N 6.55 0.00 -3.53 8.23 5.02 -0.73 -3.59 118.16 130.12 3e1d n LYS 8 Ca 0.14 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.01 3e1d n LYS 8 Cb 0.45 -1.14 -0.07 0.00 -0.02 0.00 0.00 35.03 34.25 3e1d n LYS 8 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3e1d s VAL 9 N -1.49 4.50 0.00 -0.18 1.01 -1.26 -4.61 120.40 118.37 3e1d s VAL 9 Ca 0.00 -2.30 0.10 0.00 0.00 0.00 0.00 61.98 59.78 3e1d s VAL 9 Cb 0.00 -3.89 0.17 0.00 0.00 0.00 0.00 36.38 32.66 3e1d s VAL 9 CO 0.00 -0.88 1.01 0.00 0.00 0.00 0.00 175.10 175.23 3e1d n ALA 10 N 4.26 2.80 -1.03 5.51 0.00 -1.26 -5.00 120.51 125.78 3e1d n ALA 10 Ca 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.16 3e1d n ALA 10 Cb 0.42 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.39 3e1d n ALA 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3e1d n ASN 11 N 0.20 0.00 0.00 0.00 2.85 -1.26 -5.03 115.26 112.01 3e1d n ASN 11 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 3e1d n ASN 11 Cb 0.86 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.88 3e1d n ASN 11 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 3e1d n LEU 12 N -1.44 0.00 -4.76 1.20 7.94 -1.26 -5.11 117.00 113.56 3e1d n LEU 12 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 3e1d n LEU 12 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 3e1d n LEU 12 CO 0.00 0.02 1.02 -0.83 -1.11 0.00 0.00 177.39 176.49 3e1d s GLY 13 N 0.00 2.83 -0.35 -3.96 0.00 -1.24 -4.97 107.32 99.64 3e1d s GLY 13 Ca 0.00 1.30 0.13 0.00 0.00 0.00 0.00 44.72 46.15 3e1d s GLY 13 CO 0.00 2.03 1.45 -1.26 0.00 0.00 0.00 173.10 175.32 3e1d n SER 14 N 1.15 -1.27 0.00 1.64 2.88 -1.18 -1.77 113.62 115.08 3e1d n SER 14 Ca 0.02 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.28 3e1d n SER 14 Cb 0.41 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.52 3e1d n SER 14 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3e1d n LEU 15 N -1.21 0.61 -3.00 2.46 4.77 -0.50 -4.84 117.00 115.28 3e1d n LEU 15 Ca -0.12 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.90 3e1d n LEU 15 Cb 0.87 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3e1d n LEU 15 CO -0.11 -0.40 0.51 -0.83 -1.33 0.00 0.00 177.39 175.23 3e1d s GLY 16 N -2.00 -1.16 0.00 -0.72 0.00 -1.26 -4.98 107.32 97.20 3e1d s GLY 16 Ca 0.00 1.80 0.26 0.00 0.00 0.00 0.00 44.72 46.79 3e1d s GLY 16 CO 0.00 4.19 1.56 1.22 0.00 0.00 0.00 173.10 180.07 3e1d n ASP 17 N 4.56 1.44 -0.24 1.64 8.00 -1.26 -4.71 116.55 125.98 3e1d n ASP 17 Ca 0.08 -1.25 0.19 0.00 0.71 0.00 0.00 54.79 54.53 3e1d n ASP 17 Cb 0.60 0.11 0.36 0.00 -0.02 0.00 0.00 41.12 42.17 3e1d n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3e1d n GLN 18 N -0.15 -0.05 -3.01 -1.24 10.64 -1.26 -3.76 117.38 118.56 3e1d n GLN 18 Ca 0.14 1.04 -0.42 0.00 -1.83 0.00 0.00 57.00 55.93 3e1d n GLN 18 Cb 0.38 -1.80 -0.06 0.00 -0.86 0.00 0.00 30.24 27.91 3e1d n GLN 18 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3e1d s VAL 19 N -5.29 4.77 0.00 -0.39 1.01 -1.26 -4.47 120.40 114.77 3e1d s VAL 19 Ca -0.08 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3e1d s VAL 19 Cb 0.24 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3e1d s VAL 19 CO 0.57 -0.46 0.00 -3.20 0.00 0.00 0.00 175.10 172.01 3e1d n ASN 20 N 6.36 -1.26 -4.42 3.32 2.85 -1.26 -5.02 115.26 115.82 3e1d n ASN 20 Ca 0.01 0.00 -0.51 0.00 -0.11 0.00 0.00 54.58 53.98 3e1d n ASN 20 Cb 0.48 -0.21 -0.08 0.00 1.24 0.00 0.00 39.78 41.21 3e1d n ASN 20 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 3e1d n VAL 21 N -2.42 0.14 -3.07 3.44 3.14 -1.25 -5.02 118.33 113.29 3e1d n VAL 21 Ca 0.00 -0.23 -0.40 0.00 -2.96 0.00 0.00 64.34 60.75 3e1d n VAL 21 Cb 0.00 -1.46 -0.05 0.00 -1.06 0.00 0.00 33.84 31.27 3e1d n VAL 21 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3e1d s LYS 22 N 6.42 4.43 0.04 1.45 -0.14 -1.26 -4.54 119.74 126.14 3e1d s LYS 22 Ca 1.12 0.85 -0.26 0.00 -1.36 0.00 0.00 55.97 56.32 3e1d s LYS 22 Cb -0.94 -3.44 -0.17 0.00 -1.68 0.00 0.00 37.83 31.59 3e1d s LYS 22 CO 0.51 0.09 1.49 0.00 -0.76 0.00 0.00 175.35 176.67 3e1d h ALA 23 N 6.70 -0.28 -0.27 5.17 0.00 -1.95 -3.47 119.26 125.16 3e1d h ALA 23 Ca -0.41 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3e1d h ALA 23 Cb 1.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3e1d h ALA 23 CO 0.75 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3e1d n GLY 24 N -0.71 1.79 0.46 0.00 0.00 -1.26 -0.10 105.19 105.37 3e1d n GLY 24 Ca -0.09 0.53 0.28 0.00 0.00 0.00 0.00 46.02 46.74 3e1d n GLY 24 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3e1d h TYR 25 N 0.00 0.22 0.00 1.61 -0.00 -2.00 -3.21 116.97 113.59 3e1d h TYR 25 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 58.73 58.69 3e1d h TYR 25 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 36.73 36.66 3e1d h TYR 25 CO 0.00 0.03 -0.23 0.00 -0.00 0.00 0.00 178.16 177.96 3e1d h ALA 26 N 1.54 1.28 0.00 0.10 0.00 -0.86 0.83 119.26 122.15 3e1d h ALA 26 Ca 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3e1d h ALA 26 Cb 1.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3e1d h ALA 26 CO -0.09 0.29 0.00 2.89 0.00 0.00 0.00 179.25 182.34 3e1d n ARG 27 N -3.78 0.73 0.00 0.00 1.85 -1.21 -0.83 116.66 113.42 3e1d n ARG 27 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3e1d n ARG 27 Cb 0.33 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 3e1d n ARG 27 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3e1d n ASN 28 N -1.07 0.72 0.00 2.89 5.15 -0.80 -4.85 115.26 117.31 3e1d n ASN 28 Ca 0.18 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 3e1d n ASN 28 Cb 0.12 0.74 0.00 0.00 -0.53 0.00 0.00 39.78 40.11 3e1d n ASN 28 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3e1d n PHE 29 N -0.81 0.00 -0.92 1.20 3.72 0.22 -4.96 117.46 115.91 3e1d n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3e1d n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3e1d n PHE 29 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3e1d n LEU 30 N -0.37 0.00 -0.34 4.37 7.94 -0.97 -4.89 117.00 122.73 3e1d n LEU 30 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 3e1d n LEU 30 Cb 0.04 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.09 3e1d n LEU 30 CO 0.00 0.02 1.20 1.62 -1.11 0.00 0.00 177.39 179.12 3e1d h VAL 31 N 0.11 1.26 -4.07 1.96 3.04 -1.31 -2.38 116.25 114.85 3e1d h VAL 31 Ca 0.00 -0.61 -0.49 0.00 -1.01 0.00 0.00 66.70 64.60 3e1d h VAL 31 Cb 0.05 -0.01 0.03 0.00 -2.01 0.00 0.00 31.29 29.35 3e1d h VAL 31 CO 0.00 0.28 0.31 -2.16 -1.01 0.00 0.00 177.57 174.99 3e1d s PRO 32 N -5.89 3.77 0.00 4.17 0.04 -1.26 -4.57 135.00 131.26 3e1d s PRO 32 Ca -0.13 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.63 3e1d s PRO 32 Cb 0.17 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3e1d s PRO 32 CO 0.83 -0.30 0.00 0.94 0.04 0.00 0.00 177.00 178.51 3e1d n GLN 33 N -1.92 0.00 -2.05 4.56 7.27 -1.26 -4.96 117.38 119.03 3e1d n GLN 33 Ca 0.05 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.76 3e1d n GLN 33 Cb 0.54 -0.42 0.03 0.00 2.41 0.00 0.00 30.24 32.80 3e1d n GLN 33 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3e1d s GLY 34 N 0.00 2.74 0.00 1.69 0.00 -0.90 -5.03 107.32 105.83 3e1d s GLY 34 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.72 3e1d s GLY 34 CO 0.00 1.40 0.44 0.58 0.00 0.00 0.00 173.10 175.51 3e1d n LYS 35 N -1.47 0.00 -0.21 2.90 2.85 -1.26 -4.38 118.16 116.58 3e1d n LYS 35 Ca 0.13 0.44 0.06 0.00 -1.05 0.00 0.00 58.31 57.89 3e1d n LYS 35 Cb 0.49 -0.91 0.08 0.00 -0.65 0.00 0.00 35.03 34.05 3e1d n LYS 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3e1d n ALA 36 N -1.09 2.12 0.23 0.58 0.00 -1.26 -4.73 120.51 116.36 3e1d n ALA 36 Ca 0.00 -1.93 0.06 0.00 0.00 0.00 0.00 53.44 51.57 3e1d n ALA 36 Cb 0.00 -0.39 0.55 0.00 0.00 0.00 0.00 19.45 19.61 3e1d n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3e1d h VAL 37 N 2.45 1.06 -2.01 0.00 2.07 -1.73 -3.36 116.25 114.73 3e1d h VAL 37 Ca 0.00 -0.52 -0.64 0.00 0.82 0.00 0.00 66.70 66.36 3e1d h VAL 37 Cb 1.11 1.28 0.06 0.00 -1.52 0.00 0.00 31.29 32.23 3e1d h VAL 37 CO 0.00 0.15 0.51 -2.65 0.02 0.00 0.00 177.57 175.59 3e1d n PRO 38 N -4.30 1.49 0.34 1.57 -0.02 -1.26 -4.83 135.00 127.99 3e1d n PRO 38 Ca -0.03 0.54 0.21 0.00 -2.02 0.00 0.00 63.50 62.21 3e1d n PRO 38 Cb 0.22 -2.17 1.15 0.00 -0.02 0.00 0.00 33.50 32.67 3e1d n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3e1d h ALA 39 N 4.52 1.07 -2.45 3.55 0.00 -1.94 -3.45 119.26 120.56 3e1d h ALA 39 Ca -0.46 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 3e1d h ALA 39 Cb 1.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3e1d h ALA 39 CO 0.78 -0.07 0.07 -0.08 0.00 0.00 0.00 179.25 179.95 3e1d s THR 40 N -4.14 4.66 -2.00 0.00 -1.32 -1.26 -4.95 115.64 106.63 3e1d s THR 40 Ca -0.05 1.06 0.16 0.00 -1.21 0.00 0.00 61.69 61.65 3e1d s THR 40 Cb 0.12 -3.74 0.46 0.00 -1.51 0.00 0.00 72.50 67.83 3e1d s THR 40 CO 0.38 0.05 1.39 0.29 -2.21 0.00 0.00 174.62 174.52 3e1d n LYS 41 N 0.27 0.59 0.01 7.08 5.02 -1.26 -2.23 118.16 127.63 3e1d n LYS 41 Ca -0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.39 3e1d n LYS 41 Cb 0.52 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 3e1d n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3e1d n LYS 42 N -0.93 0.22 0.00 1.97 4.76 -1.26 -4.43 118.16 118.48 3e1d n LYS 42 Ca 0.12 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 3e1d n LYS 42 Cb 0.06 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 3e1d n LYS 42 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3e1d n ASN 43 N -1.78 0.00 0.01 4.39 5.15 -0.95 -4.47 115.26 117.61 3e1d n ASN 43 Ca 0.02 0.78 0.08 0.00 -0.60 0.00 0.00 54.58 54.86 3e1d n ASN 43 Cb 0.41 -0.28 0.50 0.00 -0.53 0.00 0.00 39.78 39.88 3e1d n ASN 43 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 3e1d h ILE 44 N 0.00 1.00 0.00 -1.44 -2.65 -1.77 -3.22 117.51 109.42 3e1d h ILE 44 Ca 0.00 -0.13 0.00 0.00 1.03 0.00 0.00 64.86 65.76 3e1d h ILE 44 Cb 0.00 0.58 0.00 0.00 -2.05 0.00 0.00 36.82 35.35 3e1d h ILE 44 CO 0.00 0.07 0.00 -1.84 0.03 0.00 0.00 178.15 176.41 3e1d n GLU 45 N -4.48 0.17 0.01 0.16 0.28 -1.26 -2.03 120.64 113.49 3e1d n GLU 45 Ca 0.05 0.57 0.10 0.00 -0.16 0.00 0.00 57.16 57.71 3e1d n GLU 45 Cb 0.20 -1.95 -0.13 0.00 1.43 0.00 0.00 31.44 30.99 3e1d n GLU 45 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3e1d n PHE 46 N -2.29 0.22 -0.22 -1.84 3.01 -1.22 -2.82 117.46 112.31 3e1d n PHE 46 Ca -0.00 0.07 -0.08 0.00 1.01 0.00 0.00 57.45 58.45 3e1d n PHE 46 Cb 0.11 -0.64 0.03 0.00 -0.01 0.00 0.00 39.48 38.97 3e1d n PHE 46 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3e1d h PHE 47 N 0.00 1.03 -0.37 1.38 3.57 -1.61 -3.06 116.94 117.88 3e1d h PHE 47 Ca -0.03 -0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.24 3e1d h PHE 47 Cb 1.08 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3e1d h PHE 47 CO 0.00 0.85 -0.22 0.93 -2.23 0.00 0.00 178.31 177.64 3e1d h GLU 48 N 0.91 0.81 0.00 1.11 4.39 -1.50 0.15 114.58 120.45 3e1d h GLU 48 Ca 0.20 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 3e1d h GLU 48 Cb 0.32 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3e1d h GLU 48 CO -0.00 1.00 -0.03 0.00 -1.16 0.00 0.00 179.01 178.82 3e1d h ALA 49 N 0.79 1.10 0.13 3.43 0.00 -1.63 -0.70 119.26 122.38 3e1d h ALA 49 Ca 0.08 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 3e1d h ALA 49 Cb 0.78 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.59 3e1d h ALA 49 CO 0.06 0.04 -0.80 -0.09 0.00 0.00 0.00 179.25 178.46 3e1d h ARG 50 N 0.00 0.29 0.00 0.00 2.43 -1.25 -3.38 114.38 112.47 3e1d h ARG 50 Ca -0.00 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3e1d h ARG 50 Cb 0.21 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3e1d h ARG 50 CO 0.00 1.23 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.56 3e1d h ARG 51 N -0.40 0.00 -0.45 0.20 2.43 -0.35 -2.87 114.38 112.94 3e1d h ARG 51 Ca -0.14 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3e1d h ARG 51 Cb 1.62 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 31.08 3e1d h ARG 51 CO 0.14 0.04 -0.54 0.00 -1.51 0.00 0.00 179.97 178.11 3e1d h ALA 52 N 1.96 -0.70 0.00 2.80 0.00 -1.31 -3.36 119.26 118.63 3e1d h ALA 52 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3e1d h ALA 52 Cb 0.19 1.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3e1d h ALA 52 CO 0.01 -1.01 -1.09 -1.91 0.00 0.00 0.00 179.25 175.24 3e1d n GLU 53 N -5.38 2.75 0.11 0.00 2.13 -1.24 -4.78 120.64 114.23 3e1d n GLU 53 Ca -0.03 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.86 3e1d n GLU 53 Cb 0.34 -1.03 0.34 0.00 0.27 0.00 0.00 31.44 31.36 3e1d n GLU 53 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3e1d n LEU 54 N -2.19 0.33 0.03 4.31 4.32 -1.09 -1.98 117.00 120.73 3e1d n LEU 54 Ca -0.02 0.60 -0.22 0.00 -0.02 0.00 0.00 56.01 56.34 3e1d n LEU 54 Cb 0.54 -0.61 -0.14 0.00 -1.62 0.00 0.00 43.42 41.59 3e1d n LEU 54 CO 0.02 -0.71 -0.62 -0.08 -1.22 0.00 0.00 177.39 174.79 3e1d h GLU 55 N 0.00 0.30 -0.45 3.23 4.81 -1.78 -3.16 114.58 117.53 3e1d h GLU 55 Ca 0.00 -0.52 -0.12 0.00 -0.13 0.00 0.00 59.36 58.59 3e1d h GLU 55 Cb 0.23 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3e1d h GLU 55 CO 0.00 1.25 -0.19 0.00 -0.73 0.00 0.00 179.01 179.33 3e1d h ALA 56 N 0.04 0.81 0.00 2.92 0.00 -1.67 -1.83 119.26 119.53 3e1d h ALA 56 Ca -0.37 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3e1d h ALA 56 Cb 1.98 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3e1d h ALA 56 CO 0.11 0.65 0.00 1.63 0.00 0.00 0.00 179.25 181.64 3e1d n LYS 57 N -4.12 0.03 0.01 0.00 4.76 -0.98 -2.71 118.16 115.15 3e1d n LYS 57 Ca 0.00 0.52 0.11 0.00 -2.87 0.00 0.00 58.31 56.08 3e1d n LYS 57 Cb 0.43 -1.60 0.49 0.00 -1.84 0.00 0.00 35.03 32.50 3e1d n LYS 57 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3e1d n LEU 58 N -1.67 0.05 0.34 -0.35 7.94 -0.69 -0.88 117.00 121.74 3e1d n LEU 58 Ca -0.00 0.51 -0.18 0.00 -1.11 0.00 0.00 56.01 55.23 3e1d n LEU 58 Cb 0.01 -0.50 -0.09 0.00 0.53 0.00 0.00 43.42 43.38 3e1d n LEU 58 CO 0.03 -0.12 0.53 0.00 -1.11 0.00 0.00 177.39 176.71 3e1d h ALA 59 N 2.76 -1.19 0.00 1.96 0.00 -1.70 -3.37 119.26 117.72 3e1d h ALA 59 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3e1d h ALA 59 Cb 0.41 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3e1d h ALA 59 CO 0.00 -1.19 -0.11 -0.85 0.00 0.00 0.00 179.25 177.10 3e1d n GLU 60 N -5.37 0.00 0.01 0.00 0.00 -1.18 -4.72 120.64 109.38 3e1d n GLU 60 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 56.91 3e1d n GLU 60 Cb 0.45 -0.36 -0.07 0.00 0.00 0.00 0.00 31.44 31.46 3e1d n GLU 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3e1d h VAL 61 N 0.00 1.15 -0.01 3.84 2.07 -1.76 -2.78 116.25 118.75 3e1d h VAL 61 Ca 0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3e1d h VAL 61 Cb 0.11 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3e1d h VAL 61 CO 0.00 0.12 -0.18 -0.11 0.02 0.00 0.00 177.57 177.42 3e1d n LEU 62 N -4.97 1.40 0.36 2.57 7.94 -0.05 -4.79 117.00 119.46 3e1d n LEU 62 Ca -0.07 -0.43 -0.17 0.00 -1.11 0.00 0.00 56.01 54.23 3e1d n LEU 62 Cb 0.12 -0.06 -0.09 0.00 0.53 0.00 0.00 43.42 43.92 3e1d n LEU 62 CO 0.34 0.25 0.57 0.00 -1.11 0.00 0.00 177.39 177.43 3e1d h ALA 63 N 3.98 -0.91 -0.36 1.96 0.00 -1.60 -2.07 119.26 120.26 3e1d h ALA 63 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3e1d h ALA 63 Cb 0.56 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3e1d h ALA 63 CO 0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 179.25 178.20 3e1d h ALA 64 N -0.76 1.15 0.06 0.00 0.00 -1.87 -2.37 119.26 115.48 3e1d h ALA 64 Ca -0.09 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3e1d h ALA 64 Cb 0.72 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3e1d h ALA 64 CO 0.15 0.54 -0.31 0.00 0.00 0.00 0.00 179.25 179.63 3e1d h ALA 65 N 1.32 -0.49 -0.34 0.00 0.00 -1.81 -2.63 119.26 115.31 3e1d h ALA 65 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3e1d h ALA 65 Cb 0.51 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3e1d h ALA 65 CO 0.03 -0.84 0.16 -0.97 0.00 0.00 0.00 179.25 177.63 3e1d h ASN 66 N -0.50 0.45 -0.14 0.00 -0.73 -1.33 -3.07 115.58 110.26 3e1d h ASN 66 Ca 0.05 -0.13 0.04 0.00 1.87 0.00 0.00 56.30 58.12 3e1d h ASN 66 Cb 0.56 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 3e1d h ASN 66 CO -0.23 0.46 0.14 0.00 -0.37 0.00 0.00 177.43 177.44 3e1d h ALA 67 N 1.01 1.79 0.00 1.57 0.00 -1.19 0.60 119.26 123.04 3e1d h ALA 67 Ca 0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3e1d h ALA 67 Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3e1d h ALA 67 CO -0.01 -0.22 -0.75 0.00 0.00 0.00 0.00 179.25 178.27 3e1d h ARG 68 N 0.00 0.00 0.00 0.00 2.47 -1.45 -1.29 114.38 114.11 3e1d h ARG 68 Ca 0.07 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.72 3e1d h ARG 68 Cb 0.35 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3e1d h ARG 68 CO -0.00 0.16 -0.56 0.00 0.56 0.00 0.00 179.97 180.14 3e1d h ALA 69 N 1.77 0.08 -0.34 0.04 0.00 -1.06 -3.41 119.26 116.34 3e1d h ALA 69 Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3e1d h ALA 69 Cb 1.20 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3e1d h ALA 69 CO 0.02 0.40 0.00 0.39 0.00 0.00 0.00 179.25 180.06 3e1d n GLU 70 N -4.60 2.78 -0.02 0.00 -0.58 0.20 -4.17 120.64 114.25 3e1d n GLU 70 Ca -0.13 -2.02 -0.02 0.00 -0.42 0.00 0.00 57.16 54.57 3e1d n GLU 70 Cb 0.36 -1.27 -0.04 0.00 -0.57 0.00 0.00 31.44 29.92 3e1d n GLU 70 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3e1d n LYS 71 N 0.53 2.90 -0.10 3.49 4.81 -0.82 -4.72 118.16 124.25 3e1d n LYS 71 Ca 0.11 -0.01 0.27 0.00 -0.87 0.00 0.00 58.31 57.81 3e1d n LYS 71 Cb 0.42 -1.13 0.68 0.00 0.02 0.00 0.00 35.03 35.02 3e1d n LYS 71 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 3e1d h ILE 72 N 0.00 0.30 0.00 3.15 2.10 -1.48 -2.71 117.51 118.87 3e1d h ILE 72 Ca -0.13 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.81 3e1d h ILE 72 Cb 1.23 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 3e1d h ILE 72 CO 0.01 0.00 0.00 -0.46 -1.08 0.00 0.00 178.15 176.62 3e1d n ASN 73 N -3.75 0.00 0.22 2.19 0.23 -1.26 -3.97 115.26 108.92 3e1d n ASN 73 Ca 0.16 0.37 0.16 0.00 -0.53 0.00 0.00 54.58 54.74 3e1d n ASN 73 Cb 1.01 -0.44 0.67 0.00 -2.08 0.00 0.00 39.78 38.94 3e1d n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3e1d h ALA 74 N 2.71 1.76 -2.77 -2.53 0.00 -1.84 -3.44 119.26 113.16 3e1d h ALA 74 Ca 0.00 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 3e1d h ALA 74 Cb 0.28 0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.13 3e1d h ALA 74 CO 0.00 -0.61 0.52 -0.51 0.00 0.00 0.00 179.25 178.65 3e1d s LEU 75 N -6.22 4.30 -0.93 0.00 1.43 -1.25 -5.00 118.68 111.01 3e1d s LEU 75 Ca -0.03 2.39 -0.24 0.00 -1.03 0.00 0.00 54.13 55.21 3e1d s LEU 75 Cb 0.10 -3.88 0.04 0.00 0.03 0.00 0.00 46.19 42.48 3e1d s LEU 75 CO 0.34 -0.54 1.42 -1.61 0.23 0.00 0.00 176.35 176.18 3e1d s GLU 76 N -2.05 3.42 -0.01 1.70 2.02 -1.26 -4.67 118.70 117.86 3e1d s GLU 76 Ca 0.53 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.71 3e1d s GLU 76 Cb -0.32 -4.98 0.00 0.00 0.10 0.00 0.00 34.13 28.93 3e1d s GLU 76 CO 0.41 -2.23 0.01 2.41 0.02 0.00 0.00 175.26 175.88 3e1d n THR 77 N 6.77 -1.35 -1.15 3.63 -1.04 -1.26 -4.88 114.28 115.00 3e1d n THR 77 Ca 0.24 0.32 -0.45 0.00 -2.04 0.00 0.00 64.05 62.12 3e1d n THR 77 Cb 0.50 -1.98 -0.06 0.00 -1.82 0.00 0.00 70.33 66.96 3e1d n THR 77 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3e1d n VAL 78 N 0.99 0.00 -4.56 12.58 0.31 -1.26 -4.72 118.33 121.68 3e1d n VAL 78 Ca -0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 3e1d n VAL 78 Cb 0.33 -0.15 -0.14 0.00 -0.91 0.00 0.00 33.84 32.98 3e1d n VAL 78 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3e1d s THR 79 N 0.87 1.74 -0.05 2.52 2.01 -1.26 -1.02 115.64 120.44 3e1d s THR 79 Ca 0.69 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 61.37 3e1d s THR 79 Cb -0.98 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.03 3e1d s THR 79 CO 0.48 0.15 -0.03 -0.51 -0.69 0.00 0.00 174.62 174.02 3e1d s ILE 80 N -0.90 0.44 0.45 1.82 1.10 -0.44 -4.78 121.20 118.89 3e1d s ILE 80 Ca 0.08 -0.03 -0.24 0.00 -0.51 0.00 0.00 60.65 59.95 3e1d s ILE 80 Cb -0.09 -0.51 -0.08 0.00 0.15 0.00 0.00 42.46 41.93 3e1d s ILE 80 CO 0.03 0.22 1.19 0.00 -2.11 0.00 0.00 174.94 174.27 3e1d s ALA 81 N 1.19 3.03 0.23 1.50 0.00 -1.26 -1.96 121.76 124.49 3e1d s ALA 81 Ca -0.07 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 3e1d s ALA 81 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3e1d s ALA 81 CO -0.02 -0.69 0.28 -1.54 0.00 0.00 0.00 175.76 173.80 3e1d s SER 82 N -1.22 0.22 -0.14 0.00 1.04 -1.18 -4.90 113.70 107.51 3e1d s SER 82 Ca 0.62 -1.27 -0.04 0.00 0.48 0.00 0.00 55.95 55.74 3e1d s SER 82 Cb -0.31 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 3e1d s SER 82 CO 0.38 -0.99 -0.02 -0.54 0.98 0.00 0.00 173.24 173.05 3e1d s LYS 83 N -3.98 3.57 0.47 4.02 1.02 -1.26 -0.31 119.74 123.27 3e1d s LYS 83 Ca 0.33 -0.48 -0.13 0.00 0.02 0.00 0.00 55.97 55.71 3e1d s LYS 83 Cb 0.04 -2.92 -0.07 0.00 -0.52 0.00 0.00 37.83 34.35 3e1d s LYS 83 CO 0.13 0.34 0.89 0.00 -0.92 0.00 0.00 175.35 175.78 3e1d s ALA 84 N 0.12 3.20 0.31 5.17 0.00 -1.24 -1.45 121.76 127.87 3e1d s ALA 84 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.76 3e1d s ALA 84 Cb -0.13 -2.93 0.05 0.00 0.00 0.00 0.00 23.12 20.11 3e1d s ALA 84 CO 0.02 -0.17 0.84 0.20 0.00 0.00 0.00 175.76 176.65 3e1d s GLY 85 N -3.20 0.18 -0.11 0.00 0.00 -1.02 -4.04 107.32 99.13 3e1d s GLY 85 Ca 0.55 -0.51 -0.00 0.00 0.00 0.00 0.00 44.72 44.76 3e1d s GLY 85 CO 0.33 0.25 0.08 1.22 0.00 0.00 0.00 173.10 174.98 3e1d n ASP 86 N -1.10 -0.64 -0.67 1.64 8.00 -1.26 -1.47 116.55 121.05 3e1d n ASP 86 Ca -0.06 -0.13 -0.03 0.00 0.71 0.00 0.00 54.79 55.28 3e1d n ASP 86 Cb 0.60 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.47 3e1d n ASP 86 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3e1d n GLU 87 N -0.79 -1.47 0.00 -1.24 0.28 -1.26 -2.98 120.64 113.18 3e1d n GLU 87 Ca -0.04 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 3e1d n GLU 87 Cb 0.09 -3.83 0.00 0.00 1.43 0.00 0.00 31.44 29.14 3e1d n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3e1d n GLY 88 N 0.04 0.00 0.00 -1.84 0.00 -0.54 -5.17 105.19 97.68 3e1d n GLY 88 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3e1d n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3e1d n LYS 89 N 0.00 -0.67 -4.46 1.61 4.81 -0.64 -4.73 118.16 114.09 3e1d n LYS 89 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 3e1d n LYS 89 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 3e1d n LYS 89 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3e1d s LEU 90 N 0.00 2.55 -0.04 3.14 1.43 -1.21 -2.44 118.68 122.10 3e1d s LEU 90 Ca 0.00 -0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 51.94 3e1d s LEU 90 Cb 0.00 -1.12 -0.12 0.00 0.03 0.00 0.00 46.19 44.99 3e1d s LEU 90 CO 0.00 0.06 0.75 0.15 0.23 0.00 0.00 176.35 177.54 3e1d h PHE 91 N 2.54 -0.37 -3.73 0.29 -0.00 -1.39 -3.42 116.94 110.86 3e1d h PHE 91 Ca -0.42 -0.01 -0.43 0.00 -0.00 0.00 0.00 57.97 57.12 3e1d h PHE 91 Cb 1.24 0.12 0.18 0.00 -0.00 0.00 0.00 35.95 37.50 3e1d h PHE 91 CO 0.77 -0.08 0.27 0.20 -0.00 0.00 0.00 178.31 179.48 3e1d s GLY 92 N -3.06 1.68 -1.32 2.40 0.00 -1.26 -5.01 107.32 100.74 3e1d s GLY 92 Ca -0.10 -1.10 -0.17 0.00 0.00 0.00 0.00 44.72 43.36 3e1d s GLY 92 CO 0.35 -0.25 2.01 1.44 0.00 0.00 0.00 173.10 176.65 3e1d n SER 93 N -4.32 4.08 -4.57 1.64 7.64 -1.26 -5.00 113.62 111.83 3e1d n SER 93 Ca 0.15 -2.85 -0.41 0.00 1.01 0.00 0.00 58.87 56.77 3e1d n SER 93 Cb 0.59 -1.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.12 3e1d n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3e1d s ILE 94 N 4.19 3.80 0.00 0.44 1.09 -1.26 -3.91 121.20 125.56 3e1d s ILE 94 Ca 0.52 0.66 0.00 0.00 -1.10 0.00 0.00 60.65 60.72 3e1d s ILE 94 Cb 0.10 -4.54 0.00 0.00 -1.06 0.00 0.00 42.46 36.96 3e1d s ILE 94 CO 0.00 -1.28 0.00 0.61 -0.10 0.00 0.00 174.94 174.17 3e1d n GLY 95 N 5.26 0.39 0.21 6.18 0.00 -1.26 -4.49 105.19 111.47 3e1d n GLY 95 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 3e1d n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3e1d h THR 96 N 0.00 0.00 0.00 2.61 1.35 -2.03 -3.35 112.91 111.49 3e1d h THR 96 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3e1d h THR 96 Cb 0.00 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 3e1d h THR 96 CO 0.00 0.00 0.00 -1.14 -0.25 0.00 0.00 175.52 174.13 3e1d n ARG 97 N -2.46 0.00 -0.29 4.72 0.63 -1.26 -5.05 116.66 112.94 3e1d n ARG 97 Ca -0.02 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.02 3e1d n ARG 97 Cb 0.05 -0.42 0.23 0.00 0.45 0.00 0.00 32.46 32.77 3e1d n ARG 97 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3e1d n ASP 98 N -1.21 -0.13 -0.28 6.15 8.00 -1.26 -0.93 116.55 126.90 3e1d n ASP 98 Ca 0.00 1.43 0.29 0.00 0.71 0.00 0.00 54.79 57.22 3e1d n ASP 98 Cb 0.00 -0.51 0.66 0.00 -0.02 0.00 0.00 41.12 41.25 3e1d n ASP 98 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3e1d h ILE 99 N 0.00 0.49 0.00 0.53 1.08 -1.96 -1.29 117.51 116.36 3e1d h ILE 99 Ca 0.49 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.92 3e1d h ILE 99 Cb 0.98 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 3e1d h ILE 99 CO -0.80 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 176.68 3e1d n ALA 100 N -2.65 1.06 0.24 1.87 0.00 -0.62 -4.69 120.51 115.72 3e1d n ALA 100 Ca 0.23 -0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3e1d n ALA 100 Cb 1.03 0.00 0.54 0.00 0.00 0.00 0.00 19.45 21.02 3e1d n ALA 100 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3e1d h ASP 101 N 0.00 0.00 0.20 0.00 3.58 -0.34 -3.34 116.42 116.53 3e1d h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3e1d h ASP 101 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 3e1d h ASP 101 CO 0.00 0.15 0.00 0.00 -2.88 0.00 0.00 179.24 176.51 3e1d n ALA 102 N -2.19 1.73 0.00 -0.78 0.00 -0.55 -2.94 120.51 115.79 3e1d n ALA 102 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3e1d n ALA 102 Cb 0.38 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3e1d n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3e1d n VAL 103 N -1.26 0.00 0.07 0.00 0.24 -1.25 -4.36 118.33 111.76 3e1d n VAL 103 Ca 0.06 -0.13 0.20 0.00 -2.04 0.00 0.00 64.34 62.44 3e1d n VAL 103 Cb 0.09 0.61 0.74 0.00 -1.47 0.00 0.00 33.84 33.82 3e1d n VAL 103 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3e1d h THR 104 N 0.00 0.49 -0.23 3.34 2.02 -1.66 -1.57 112.91 115.29 3e1d h THR 104 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3e1d h THR 104 Cb 0.00 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3e1d h THR 104 CO 0.00 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.46 3e1d h ALA 105 N 1.60 0.81 0.00 6.16 0.00 -1.88 -0.57 119.26 125.39 3e1d h ALA 105 Ca 0.21 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3e1d h ALA 105 Cb 1.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3e1d h ALA 105 CO -0.00 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3e1d n ALA 106 N -2.51 1.98 -0.08 0.00 0.00 -0.59 -4.92 120.51 114.39 3e1d n ALA 106 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3e1d n ALA 106 Cb 0.53 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3e1d n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1d n GLY 107 N -0.10 2.24 3.70 0.00 0.00 -0.22 -5.03 105.19 105.77 3e1d n GLY 107 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3e1d n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3e1d s VAL 108 N -2.87 3.19 -0.09 1.61 -7.23 -1.26 -4.88 120.40 108.87 3e1d s VAL 108 Ca 0.00 0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 60.84 3e1d s VAL 108 Cb 0.00 -3.45 -0.15 0.00 0.56 0.00 0.00 36.38 33.34 3e1d s VAL 108 CO 0.00 0.01 2.34 -0.62 -0.31 0.00 0.00 175.10 176.53 3e1d n GLU 109 N 5.06 1.28 -1.46 4.82 1.02 -1.26 -4.76 120.64 125.35 3e1d n GLU 109 Ca 0.14 -0.68 -0.29 0.00 -0.02 0.00 0.00 57.16 56.31 3e1d n GLU 109 Cb 0.41 -1.86 0.17 0.00 -0.02 0.00 0.00 31.44 30.14 3e1d n GLU 109 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3e1d s VAL 110 N 1.95 1.91 0.13 2.62 -7.23 -1.26 -5.12 120.40 113.40 3e1d s VAL 110 Ca 0.40 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.59 3e1d s VAL 110 Cb 0.18 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 3e1d s VAL 110 CO -0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 174.72 3e1d s ALA 111 N -3.28 1.18 0.51 1.32 0.00 -1.26 -5.05 121.76 115.17 3e1d s ALA 111 Ca 0.67 -1.44 0.18 0.00 0.00 0.00 0.00 51.96 51.38 3e1d s ALA 111 Cb -0.12 0.20 1.25 0.00 0.00 0.00 0.00 23.12 24.45 3e1d s ALA 111 CO 0.54 -0.21 2.07 -0.22 0.00 0.00 0.00 175.76 177.95 3e1d h LYS 112 N 2.86 0.08 -0.01 0.00 3.64 -1.99 -1.96 116.57 119.20 3e1d h LYS 112 Ca -0.36 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3e1d h LYS 112 Cb 1.18 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3e1d h LYS 112 CO 0.64 0.06 -0.35 0.43 -2.27 0.00 0.00 179.45 177.96 3e1d n SER 113 N -4.47 1.09 -0.17 4.20 7.64 -1.26 -4.43 113.62 116.21 3e1d n SER 113 Ca 0.03 -0.89 -0.09 0.00 1.01 0.00 0.00 58.87 58.93 3e1d n SER 113 Cb 0.29 0.23 0.01 0.00 -1.01 0.00 0.00 64.21 63.72 3e1d n SER 113 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3e1d h GLU 114 N 1.17 0.84 -6.24 1.43 4.81 -1.63 -3.41 114.58 111.54 3e1d h GLU 114 Ca 0.00 -0.24 -0.56 0.00 -0.13 0.00 0.00 59.36 58.42 3e1d h GLU 114 Cb 0.54 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3e1d h GLU 114 CO 0.00 0.86 1.27 0.14 -0.73 0.00 0.00 179.01 180.55 3e1d s VAL 115 N -5.12 3.49 0.00 0.32 -7.23 -1.25 -1.55 120.40 109.06 3e1d s VAL 115 Ca -0.13 0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 60.51 3e1d s VAL 115 Cb 0.12 -3.73 -0.06 0.00 0.56 0.00 0.00 36.38 33.26 3e1d s VAL 115 CO 0.81 -0.51 1.90 -1.14 -0.31 0.00 0.00 175.10 175.85 3e1d n ARG 116 N 8.51 0.97 -1.60 4.82 0.00 -0.07 -4.91 116.66 124.39 3e1d n ARG 116 Ca 0.22 -0.23 -0.54 0.00 -0.00 0.00 0.00 57.85 57.30 3e1d n ARG 116 Cb 0.48 -1.35 -0.07 0.00 0.00 0.00 0.00 32.46 31.52 3e1d n ARG 116 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3e1d n LEU 117 N 1.93 1.49 0.13 6.15 7.94 -1.26 -4.74 117.00 128.63 3e1d n LEU 117 Ca 0.10 1.12 -0.22 0.00 -1.11 0.00 0.00 56.01 55.89 3e1d n LEU 117 Cb 0.47 -1.13 -0.15 0.00 0.53 0.00 0.00 43.42 43.14 3e1d n LEU 117 CO 0.05 -1.08 -0.17 1.55 -1.11 0.00 0.00 177.39 176.63 3e1d h PRO 118 N 4.73 0.49 0.00 1.96 0.13 -1.96 -3.49 132.00 133.86 3e1d h PRO 118 Ca -0.48 -0.81 -0.10 0.00 -0.87 0.00 0.00 66.00 63.75 3e1d h PRO 118 Cb 1.35 0.30 -0.02 0.00 0.13 0.00 0.00 31.00 32.76 3e1d h PRO 118 CO 0.79 1.38 0.04 -1.71 -0.23 0.00 0.00 178.00 178.27 3e1d n ASN 119 N -3.69 -1.14 -4.64 1.44 2.85 -1.26 -5.15 115.26 103.67 3e1d n ASN 119 Ca -0.14 -2.08 -0.45 0.00 -0.11 0.00 0.00 54.58 51.79 3e1d n ASN 119 Cb 1.07 1.99 -0.03 0.00 1.24 0.00 0.00 39.78 44.05 3e1d n ASN 119 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3e1d n GLY 120 N -0.35 0.46 3.77 8.20 0.00 -1.26 -4.88 105.19 111.12 3e1d n GLY 120 Ca -0.03 0.46 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 3e1d n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3e1d n VAL 121 N 1.39 1.72 0.83 1.61 0.31 -1.26 -4.92 118.33 118.01 3e1d n VAL 121 Ca 0.11 -0.43 0.12 0.00 -0.01 0.00 0.00 64.34 64.13 3e1d n VAL 121 Cb 0.31 -1.97 0.52 0.00 -0.91 0.00 0.00 33.84 31.79 3e1d n VAL 121 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3e1d n LEU 122 N 0.94 0.07 -3.74 7.52 4.77 -1.26 -4.91 117.00 120.39 3e1d n LEU 122 Ca 0.03 0.51 -0.22 0.00 -0.03 0.00 0.00 56.01 56.30 3e1d n LEU 122 Cb 0.38 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3e1d n LEU 122 CO 0.64 -0.09 -0.08 -1.14 -1.33 0.00 0.00 177.39 175.39 3e1d n ARG 123 N -1.57 -4.75 -3.83 3.23 0.63 -1.26 -5.01 116.66 104.11 3e1d n ARG 123 Ca 0.06 0.59 -0.12 0.00 -0.92 0.00 0.00 57.85 57.46 3e1d n ARG 123 Cb 0.30 -5.12 -0.10 0.00 0.45 0.00 0.00 32.46 28.00 3e1d n ARG 123 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3e1d s THR 124 N -3.69 0.07 0.60 5.15 -1.32 -1.26 -3.34 115.64 111.85 3e1d s THR 124 Ca 0.03 -0.56 -0.18 0.00 -1.21 0.00 0.00 61.69 59.78 3e1d s THR 124 Cb -0.02 -0.49 -0.08 0.00 -1.51 0.00 0.00 72.50 70.41 3e1d s THR 124 CO 0.82 -0.31 0.56 1.07 -2.21 0.00 0.00 174.62 174.55 3e1d n THR 125 N 1.52 2.33 -0.08 5.08 5.66 -1.26 -4.76 114.28 122.77 3e1d n THR 125 Ca -0.21 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 3e1d n THR 125 Cb 0.56 -0.73 0.00 0.00 -1.55 0.00 0.00 70.33 68.61 3e1d n THR 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3e1d n GLY 126 N 1.73 -2.12 3.75 1.09 0.00 0.07 -4.92 105.19 104.78 3e1d n GLY 126 Ca 0.12 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 3e1d n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3e1d s GLU 127 N -0.17 4.62 -0.01 1.61 2.02 -1.26 -0.89 118.70 124.61 3e1d s GLU 127 Ca 0.00 1.81 -0.10 0.00 0.02 0.00 0.00 54.97 56.70 3e1d s GLU 127 Cb 0.00 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 31.04 3e1d s GLU 127 CO 0.00 0.16 0.20 -1.58 0.02 0.00 0.00 175.26 174.06 3e1d s HIS 128 N -0.94 -0.06 0.06 1.61 2.46 -0.80 -5.02 115.29 112.60 3e1d s HIS 128 Ca 0.46 0.08 -0.22 0.00 0.47 0.00 0.00 55.06 55.85 3e1d s HIS 128 Cb -0.32 0.01 -0.06 0.00 -0.13 0.00 0.00 32.58 32.08 3e1d s HIS 128 CO 0.40 -0.30 0.65 -2.00 -2.47 0.00 0.00 174.74 171.02 3e1d s GLU 129 N -1.19 4.35 -0.42 2.88 2.12 -1.26 -0.59 118.70 124.59 3e1d s GLU 129 Ca -0.13 0.87 0.02 0.00 0.36 0.00 0.00 54.97 56.09 3e1d s GLU 129 Cb -0.06 -3.30 0.15 0.00 0.26 0.00 0.00 34.13 31.18 3e1d s GLU 129 CO 0.02 0.48 0.28 0.08 -0.54 0.00 0.00 175.26 175.58 3e1d s VAL 130 N -0.64 0.78 -1.26 3.70 1.01 -0.62 -4.92 120.40 118.46 3e1d s VAL 130 Ca 0.32 -2.42 -0.14 0.00 0.00 0.00 0.00 61.98 59.75 3e1d s VAL 130 Cb -0.20 -1.55 0.14 0.00 0.00 0.00 0.00 36.38 34.78 3e1d s VAL 130 CO 0.20 -1.03 1.62 -1.54 0.00 0.00 0.00 175.10 174.35 3e1d n SER 131 N 3.40 5.07 -4.68 3.32 3.41 -1.26 -4.53 113.62 118.35 3e1d n SER 131 Ca 0.17 -2.98 -0.42 0.00 -0.26 0.00 0.00 58.87 55.38 3e1d n SER 131 Cb 0.39 -1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 62.71 3e1d n SER 131 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3e1d s PHE 132 N 2.05 2.17 -0.24 7.33 0.40 -1.26 -0.89 117.98 127.55 3e1d s PHE 132 Ca 0.45 0.20 -0.02 0.00 -0.60 0.00 0.00 56.93 56.96 3e1d s PHE 132 Cb 0.02 -3.98 0.08 0.00 0.51 0.00 0.00 43.02 39.64 3e1d s PHE 132 CO 0.01 -4.03 0.06 1.14 0.70 0.00 0.00 175.22 173.10 3e1d s GLN 133 N 3.24 0.68 0.21 0.44 1.03 -0.59 -0.52 119.66 124.16 3e1d s GLN 133 Ca 0.75 -0.66 -0.09 0.00 0.04 0.00 0.00 55.36 55.40 3e1d s GLN 133 Cb -0.38 -2.02 0.31 0.00 0.03 0.00 0.00 33.01 30.94 3e1d s GLN 133 CO 0.32 -0.77 1.71 -0.24 -2.54 0.00 0.00 175.29 173.77 3e1d h VAL 134 N 6.51 0.66 -4.21 3.63 3.04 -1.80 -3.44 116.25 120.64 3e1d h VAL 134 Ca -0.16 -0.10 -0.12 0.00 -1.01 0.00 0.00 66.70 65.31 3e1d h VAL 134 Cb 1.08 0.34 -0.15 0.00 -2.01 0.00 0.00 31.29 30.54 3e1d h VAL 134 CO 0.39 0.05 -0.67 -1.00 -1.01 0.00 0.00 177.57 175.34 3e1d s HIS 135 N -6.10 0.49 -2.00 3.17 0.09 -1.26 -5.05 115.29 104.64 3e1d s HIS 135 Ca -0.13 -1.03 0.02 0.00 -0.00 0.00 0.00 55.06 53.92 3e1d s HIS 135 Cb 0.18 -0.37 0.11 0.00 -0.00 0.00 0.00 32.58 32.50 3e1d s HIS 135 CO 0.74 -0.38 0.49 0.43 -0.00 0.00 0.00 174.74 176.02 3e1d n SER 136 N 0.16 0.00 0.13 1.40 7.64 -1.26 -3.28 113.62 118.41 3e1d n SER 136 Ca -0.14 -0.68 0.01 0.00 1.01 0.00 0.00 58.87 59.07 3e1d n SER 136 Cb 0.61 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.83 3e1d n SER 136 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3e1d h GLU 137 N 0.00 0.00 -1.85 1.43 4.57 -1.98 -3.48 114.58 113.27 3e1d h GLU 137 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3e1d h GLU 137 Cb 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 28.37 3e1d h GLU 137 CO 0.00 0.58 0.27 0.54 -1.18 0.00 0.00 179.01 179.22 3e1d s VAL 138 N -2.97 0.00 0.04 0.32 0.11 -1.20 -5.14 120.40 111.56 3e1d s VAL 138 Ca 0.03 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.13 3e1d s VAL 138 Cb 0.08 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 3e1d s VAL 138 CO 0.75 0.00 -0.14 -0.36 -3.33 0.00 0.00 175.10 172.03 3e1d s PHE 139 N -0.19 1.19 -0.50 1.54 0.40 -1.26 -4.53 117.98 114.63 3e1d s PHE 139 Ca -0.02 -0.36 -0.28 0.00 -0.60 0.00 0.00 56.93 55.66 3e1d s PHE 139 Cb -0.03 -0.70 0.03 0.00 0.51 0.00 0.00 43.02 42.82 3e1d s PHE 139 CO 0.01 0.03 1.11 0.00 0.70 0.00 0.00 175.22 177.07 3e1d s ALA 140 N -0.90 3.14 -1.49 5.36 0.00 0.33 -4.75 121.76 123.44 3e1d s ALA 140 Ca 0.01 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 3e1d s ALA 140 Cb -0.08 -3.88 0.01 0.00 0.00 0.00 0.00 23.12 19.17 3e1d s ALA 140 CO 0.01 -2.31 2.62 0.36 0.00 0.00 0.00 175.76 176.44 3e1d n LYS 141 N 7.84 3.85 -4.33 0.00 2.85 -1.26 -4.03 118.16 123.08 3e1d n LYS 141 Ca 0.10 -2.72 -0.20 0.00 -1.05 0.00 0.00 58.31 54.44 3e1d n LYS 141 Cb 0.49 -2.82 -0.09 0.00 -0.65 0.00 0.00 35.03 31.96 3e1d n LYS 141 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3e1d s VAL 142 N 1.20 0.16 0.07 0.58 0.11 -1.26 -5.09 120.40 116.17 3e1d s VAL 142 Ca 0.60 -2.00 -0.09 0.00 -2.93 0.00 0.00 61.98 57.56 3e1d s VAL 142 Cb 0.17 -2.47 0.00 0.00 -1.53 0.00 0.00 36.38 32.55 3e1d s VAL 142 CO -0.07 0.00 0.20 0.27 -3.33 0.00 0.00 175.10 172.17 3e1d s ILE 143 N -3.51 0.13 0.33 7.04 -4.36 -1.26 -1.59 121.20 117.97 3e1d s ILE 143 Ca 0.37 -1.04 0.07 0.00 -0.26 0.00 0.00 60.65 59.78 3e1d s ILE 143 Cb 0.03 -1.17 -0.02 0.00 1.25 0.00 0.00 42.46 42.55 3e1d s ILE 143 CO 0.22 -0.58 0.35 0.54 0.24 0.00 0.00 174.94 175.71 3e1d s VAL 144 N -3.36 3.82 -0.10 8.37 0.11 0.24 -4.05 120.40 125.43 3e1d s VAL 144 Ca 0.01 -1.23 0.02 0.00 -2.93 0.00 0.00 61.98 57.85 3e1d s VAL 144 Cb 0.03 -3.29 0.01 0.00 -1.53 0.00 0.00 36.38 31.59 3e1d s VAL 144 CO -0.08 -0.18 -0.17 0.21 -3.33 0.00 0.00 175.10 171.54 3e1d s ASN 145 N -4.05 2.51 -0.44 3.54 3.84 -0.19 -1.90 114.94 118.25 3e1d s ASN 145 Ca 0.42 -0.45 -0.13 0.00 0.21 0.00 0.00 52.86 52.91 3e1d s ASN 145 Cb -0.07 -1.14 0.07 0.00 -0.55 0.00 0.00 41.25 39.55 3e1d s ASN 145 CO 0.28 0.06 0.33 -0.69 -2.79 0.00 0.00 177.10 174.29 3e1d s VAL 146 N 0.76 4.89 -0.46 -5.21 1.01 -0.07 -1.33 120.40 119.99 3e1d s VAL 146 Ca -0.11 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.66 3e1d s VAL 146 Cb -0.16 -3.91 0.11 0.00 0.00 0.00 0.00 36.38 32.42 3e1d s VAL 146 CO 0.02 -0.51 0.32 -0.69 0.00 0.00 0.00 175.10 174.24 3e1d s VAL 147 N 1.57 4.18 0.49 2.92 1.01 -0.83 -0.75 120.40 129.00 3e1d s VAL 147 Ca 0.04 -1.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.11 3e1d s VAL 147 Cb -0.23 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 3e1d s VAL 147 CO 0.06 -0.72 0.99 0.00 0.00 0.00 0.00 175.10 175.43 3e1d s ALA 148 N 1.37 2.98 0.00 5.51 0.00 -1.26 -3.10 121.76 127.26 3e1d s ALA 148 Ca 0.05 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3e1d s ALA 148 Cb -0.25 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3e1d s ALA 148 CO -0.00 -0.21 0.00 -0.85 0.00 0.00 0.00 175.76 174.70