#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n s ARG 2 N 0.00 4.42 -0.30 0.00 3.00 -1.26 -4.98 118.95 119.84 3i1n s ARG 2 Ca 0.00 2.00 -0.00 0.00 -1.00 0.00 0.00 55.73 56.73 3i1n s ARG 2 Cb 0.00 -3.20 0.06 0.00 0.00 0.00 0.00 34.95 31.81 3i1n s ARG 2 CO 0.00 -0.19 -0.02 0.08 0.00 0.00 0.00 175.30 175.17 3i1n s VAL 3 N -0.02 2.71 0.00 7.11 1.01 -1.26 -5.03 120.40 124.92 3i1n s VAL 3 Ca 0.55 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3i1n s VAL 3 Cb -0.35 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3i1n s VAL 3 CO 0.38 -0.15 0.00 2.29 0.00 0.00 0.00 175.10 177.62 3i1n n LYS 4 N 4.54 0.00 -2.10 2.72 2.85 -1.26 -4.95 118.16 119.95 3i1n n LYS 4 Ca -0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 3i1n n LYS 4 Cb 0.43 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.81 3i1n n LYS 4 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3i1n n ARG 5 N -0.98 -5.73 0.00 -1.58 0.63 -1.26 -4.94 116.66 102.81 3i1n n ARG 5 Ca 0.00 4.05 0.00 0.00 -0.92 0.00 0.00 57.85 60.98 3i1n n ARG 5 Cb 0.00 -4.39 0.00 0.00 0.45 0.00 0.00 32.46 28.52 3i1n n ARG 5 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1n n GLY 6 N 1.79 3.41 0.16 5.14 0.00 -1.26 -4.88 105.19 109.55 3i1n n GLY 6 Ca 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 3i1n n GLY 6 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i1n h VAL 7 N 0.00 1.21 -0.05 1.61 -1.51 -1.99 0.22 116.25 115.74 3i1n h VAL 7 Ca 0.00 -0.68 -0.21 0.00 -1.23 0.00 0.00 66.70 64.58 3i1n h VAL 7 Cb 0.00 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 3i1n h VAL 7 CO 0.00 0.23 -0.84 0.16 -1.23 0.00 0.00 177.57 175.88 3i1n h ILE 8 N 0.31 1.37 -0.70 7.19 -0.00 -1.99 -1.97 117.51 121.72 3i1n h ILE 8 Ca 0.09 -2.26 0.14 0.00 -0.00 0.00 0.00 64.86 62.83 3i1n h ILE 8 Cb 0.26 2.24 -0.10 0.00 -0.00 0.00 0.00 36.82 39.23 3i1n h ILE 8 CO -0.00 0.68 0.21 0.00 -0.00 0.00 0.00 178.15 179.04 3i1n h ALA 9 N 0.78 0.92 0.00 0.16 0.00 -1.85 -1.78 119.26 117.49 3i1n h ALA 9 Ca -0.06 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3i1n h ALA 9 Cb 1.45 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3i1n h ALA 9 CO 0.15 -0.27 -0.88 0.07 0.00 0.00 0.00 179.25 178.32 3i1n h ARG 10 N 0.34 0.00 -0.67 0.00 0.11 -0.78 -2.97 114.38 110.41 3i1n h ARG 10 Ca 0.38 0.00 0.14 0.00 0.10 0.00 0.00 59.98 60.60 3i1n h ARG 10 Cb 0.60 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.56 3i1n h ARG 10 CO -0.43 0.55 -0.06 0.00 0.10 0.00 0.00 179.97 180.13 3i1n h ALA 11 N 1.36 0.59 -0.14 0.08 0.00 -0.54 -0.16 119.26 120.44 3i1n h ALA 11 Ca -0.06 0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3i1n h ALA 11 Cb 1.54 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3i1n h ALA 11 CO 0.07 -0.41 -0.37 0.00 0.00 0.00 0.00 179.25 178.54 3i1n h ARG 12 N 0.07 0.50 0.03 0.00 3.08 -1.32 -1.52 114.38 115.23 3i1n h ARG 12 Ca 0.34 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i1n h ARG 12 Cb 0.57 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3i1n h ARG 12 CO -0.62 0.96 -0.05 0.45 -1.07 0.00 0.00 179.97 179.65 3i1n h HIS 13 N 0.12 -0.12 -0.83 3.04 3.86 -1.37 -1.13 115.15 118.72 3i1n h HIS 13 Ca -0.01 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.37 3i1n h HIS 13 Cb 0.98 0.05 -0.10 0.00 1.06 0.00 0.00 27.41 29.39 3i1n h HIS 13 CO 0.10 -0.08 0.38 -0.22 0.86 0.00 0.00 177.93 178.98 3i1n h LYS 14 N -0.10 0.48 -0.52 2.45 3.64 -0.97 -0.11 116.57 121.44 3i1n h LYS 14 Ca 0.01 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3i1n h LYS 14 Cb 0.11 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.74 3i1n h LYS 14 CO -0.03 0.32 0.11 -0.22 -2.27 0.00 0.00 179.45 177.36 3i1n h LYS 15 N 0.50 0.24 0.34 1.90 3.64 -0.14 -1.16 116.57 121.88 3i1n h LYS 15 Ca 0.48 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.83 3i1n h LYS 15 Cb 0.77 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3i1n h LYS 15 CO -0.43 0.16 -0.16 0.82 -2.27 0.00 0.00 179.45 177.56 3i1n h ILE 16 N 0.24 0.56 -1.14 2.00 5.03 -0.46 -3.23 117.51 120.51 3i1n h ILE 16 Ca 0.27 -0.67 0.32 0.00 -0.12 0.00 0.00 64.86 64.65 3i1n h ILE 16 Cb 0.36 0.84 -0.07 0.00 -3.03 0.00 0.00 36.82 34.92 3i1n h ILE 16 CO -0.34 0.11 0.78 -0.07 -0.68 0.00 0.00 178.15 177.94 3i1n h LEU 17 N -0.89 0.21 -0.74 1.44 -0.00 -0.97 0.90 115.31 115.27 3i1n h LEU 17 Ca -0.05 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 3i1n h LEU 17 Cb 0.53 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 3i1n h LEU 17 CO 0.08 0.02 0.38 0.50 -0.00 0.00 0.00 178.44 179.42 3i1n h LYS 18 N 0.18 1.05 0.00 1.13 1.63 -1.26 -2.14 116.57 117.16 3i1n h LYS 18 Ca 0.60 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 3i1n h LYS 18 Cb 1.97 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 33.40 3i1n h LYS 18 CO -0.17 0.80 0.00 1.04 -3.45 0.00 0.00 179.45 177.67 3i1n n GLN 19 N -4.44 0.15 -0.06 1.90 6.02 0.31 -3.10 117.38 118.16 3i1n n GLN 19 Ca 0.06 0.05 0.12 0.00 -0.01 0.00 0.00 57.00 57.23 3i1n n GLN 19 Cb 0.11 -1.50 0.27 0.00 1.02 0.00 0.00 30.24 30.14 3i1n n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1n n ALA 20 N -1.41 2.48 -1.68 -1.58 0.00 -0.81 -4.91 120.51 112.60 3i1n n ALA 20 Ca 0.09 -0.69 -0.45 0.00 0.00 0.00 0.00 53.44 52.38 3i1n n ALA 20 Cb 0.26 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 3i1n n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1n n LYS 21 N 0.97 2.43 0.00 0.00 5.02 -1.18 -1.59 118.16 123.81 3i1n n LYS 21 Ca 0.17 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 3i1n n LYS 21 Cb 0.51 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 3i1n n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1n n GLY 22 N 4.22 2.43 3.76 0.72 0.00 -1.26 -5.06 105.19 110.01 3i1n n GLY 22 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3i1n n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i1n s TYR 23 N -2.50 2.71 0.34 1.61 4.12 -0.62 -4.98 117.35 118.03 3i1n s TYR 23 Ca 0.00 1.49 -0.25 0.00 0.02 0.00 0.00 57.07 58.33 3i1n s TYR 23 Cb 0.00 -3.49 -0.10 0.00 -1.52 0.00 0.00 41.96 36.85 3i1n s TYR 23 CO 0.00 -1.89 0.96 -0.47 0.02 0.00 0.00 175.55 174.17 3i1n s TYR 24 N -1.48 3.60 0.00 2.71 5.04 -1.26 -3.78 117.35 122.18 3i1n s TYR 24 Ca 0.66 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 57.04 3i1n s TYR 24 Cb -0.32 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 39.04 3i1n s TYR 24 CO 0.38 0.07 0.00 0.41 -1.34 0.00 0.00 175.55 175.07 3i1n n GLY 25 N 0.43 3.72 0.24 8.97 0.00 -1.26 -1.52 105.19 115.77 3i1n n GLY 25 Ca 0.03 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.26 3i1n n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1n h ALA 26 N -0.81 1.00 -0.20 4.61 0.00 -1.97 -3.10 119.26 118.80 3i1n h ALA 26 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3i1n h ALA 26 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i1n h ALA 26 CO 0.00 0.00 0.43 0.00 0.00 0.00 0.00 179.25 179.68 3i1n h ARG 27 N 0.00 0.00 -0.00 0.00 3.08 -1.54 0.74 114.38 116.65 3i1n h ARG 27 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i1n h ARG 27 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3i1n h ARG 27 CO 0.00 0.00 -0.21 -1.13 -1.07 0.00 0.00 179.97 177.56 3i1n n SER 28 N -3.23 0.79 -0.05 7.04 3.41 -1.17 -4.06 113.62 116.34 3i1n n SER 28 Ca 0.03 -0.89 -0.09 0.00 -0.26 0.00 0.00 58.87 57.65 3i1n n SER 28 Cb 0.54 0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 65.09 3i1n n SER 28 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i1n n ARG 29 N -0.60 0.25 -3.35 4.33 1.74 0.09 -4.85 116.66 114.27 3i1n n ARG 29 Ca 0.02 0.08 -0.40 0.00 -0.77 0.00 0.00 57.85 56.78 3i1n n ARG 29 Cb 0.14 -1.09 -0.09 0.00 -1.02 0.00 0.00 32.46 30.40 3i1n n ARG 29 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i1n s VAL 30 N -2.21 5.13 0.17 1.55 1.01 -0.24 -4.98 120.40 120.83 3i1n s VAL 30 Ca -0.15 0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 3i1n s VAL 30 Cb 0.05 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.68 3i1n s VAL 30 CO 0.22 -0.04 1.58 0.22 0.00 0.00 0.00 175.10 177.08 3i1n h TYR 31 N 8.36 -1.08 -0.91 5.22 3.20 -1.94 0.46 116.97 130.28 3i1n h TYR 31 Ca -0.30 0.07 0.21 0.00 3.14 0.00 0.00 58.73 61.85 3i1n h TYR 31 Cb 1.14 0.55 -0.12 0.00 1.54 0.00 0.00 36.73 39.85 3i1n h TYR 31 CO 0.72 -0.40 0.45 -0.09 -1.64 0.00 0.00 178.16 177.20 3i1n h ARG 32 N -0.22 0.49 0.03 1.82 2.43 -1.95 0.58 114.38 117.56 3i1n h ARG 32 Ca 0.20 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3i1n h ARG 32 Cb 0.56 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3i1n h ARG 32 CO -0.65 0.32 -0.17 0.28 -1.51 0.00 0.00 179.97 178.23 3i1n h VAL 33 N 0.50 1.70 -0.60 0.20 2.07 -1.44 -3.34 116.25 115.34 3i1n h VAL 33 Ca 0.55 -2.28 0.12 0.00 0.82 0.00 0.00 66.70 65.91 3i1n h VAL 33 Cb 0.99 3.23 -0.09 0.00 -1.52 0.00 0.00 31.29 33.90 3i1n h VAL 33 CO -0.47 0.61 0.10 0.00 0.02 0.00 0.00 177.57 177.83 3i1n h ALA 34 N 0.07 0.69 0.07 1.67 0.00 0.14 -0.66 119.26 121.23 3i1n h ALA 34 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i1n h ALA 34 Cb 1.09 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3i1n h ALA 34 CO 0.03 -0.33 -0.21 0.35 0.00 0.00 0.00 179.25 179.09 3i1n h PHE 35 N 0.23 -0.61 -0.98 0.00 3.04 -0.07 0.41 116.94 118.95 3i1n h PHE 35 Ca 0.32 0.01 0.40 0.00 3.98 0.00 0.00 57.97 62.68 3i1n h PHE 35 Cb 0.48 0.26 -0.16 0.00 2.56 0.00 0.00 35.95 39.09 3i1n h PHE 35 CO -0.27 -0.24 0.55 1.04 -2.02 0.00 0.00 178.31 177.37 3i1n n GLN 36 N -3.65 -0.05 -0.04 1.11 6.02 -0.96 -0.66 117.38 119.17 3i1n n GLN 36 Ca -0.04 1.26 -0.13 0.00 -0.01 0.00 0.00 57.00 58.09 3i1n n GLN 36 Cb 0.17 -2.30 -0.08 0.00 1.02 0.00 0.00 30.24 29.05 3i1n n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1n h ALA 37 N 1.80 0.13 -0.53 -1.58 0.00 0.96 -2.99 119.26 117.06 3i1n h ALA 37 Ca 0.79 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.51 3i1n h ALA 37 Cb 2.17 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.88 3i1n h ALA 37 CO -0.67 -0.10 0.25 0.28 0.00 0.00 0.00 179.25 179.01 3i1n h VAL 38 N -0.17 0.92 -0.30 0.00 2.07 0.20 -2.85 116.25 116.13 3i1n h VAL 38 Ca 0.02 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.42 3i1n h VAL 38 Cb 0.49 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3i1n h VAL 38 CO 0.01 0.09 0.03 0.40 0.02 0.00 0.00 177.57 178.13 3i1n h ILE 39 N 0.49 0.82 0.00 4.57 2.04 -1.15 -0.28 117.51 123.99 3i1n h ILE 39 Ca 0.24 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 66.01 3i1n h ILE 39 Cb 0.17 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3i1n h ILE 39 CO -0.18 0.02 -0.21 0.50 0.00 0.00 0.00 178.15 178.28 3i1n h LYS 40 N 0.13 0.00 0.41 2.37 3.64 -1.42 0.12 116.57 121.82 3i1n h LYS 40 Ca 0.14 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3i1n h LYS 40 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3i1n h LYS 40 CO -0.21 0.21 -0.20 0.00 -2.27 0.00 0.00 179.45 176.98 3i1n h ALA 41 N 1.79 -0.55 -0.65 5.00 0.00 -0.98 0.26 119.26 124.12 3i1n h ALA 41 Ca -0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 3i1n h ALA 41 Cb 0.59 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 3i1n h ALA 41 CO 0.03 -0.72 -0.50 0.78 0.00 0.00 0.00 179.25 178.84 3i1n h GLY 42 N -0.74 -0.65 -0.02 0.00 0.00 -0.31 0.85 103.07 102.19 3i1n h GLY 42 Ca -0.06 0.65 0.04 0.00 0.00 0.00 0.00 47.33 47.97 3i1n h GLY 42 CO 0.09 -0.11 -0.43 1.46 0.00 0.00 0.00 176.54 177.56 3i1n h GLN 43 N -0.21 -0.47 -0.34 4.80 4.20 -0.48 -2.00 115.11 120.61 3i1n h GLN 43 Ca 0.16 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.94 3i1n h GLN 43 Cb 0.54 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 3i1n h GLN 43 CO -0.74 -0.31 0.13 1.88 -0.67 0.00 0.00 178.83 179.12 3i1n h TYR 44 N -0.48 0.23 -0.31 2.96 0.99 -0.11 -1.34 116.97 118.92 3i1n h TYR 44 Ca 0.08 0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.89 3i1n h TYR 44 Cb 0.63 -0.05 -0.07 0.00 1.00 0.00 0.00 36.73 38.23 3i1n h TYR 44 CO -0.50 0.11 -0.15 0.00 -0.00 0.00 0.00 178.16 177.62 3i1n h ALA 45 N 1.21 0.09 -0.36 3.88 0.00 -0.29 0.19 119.26 123.99 3i1n h ALA 45 Ca 0.15 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.23 3i1n h ALA 45 Cb 0.11 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3i1n h ALA 45 CO -0.14 -0.54 0.02 -0.92 0.00 0.00 0.00 179.25 177.67 3i1n h TYR 46 N -0.10 0.03 -0.54 0.00 3.20 -0.98 0.63 116.97 119.21 3i1n h TYR 46 Ca 0.16 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.13 3i1n h TYR 46 Cb 0.34 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 3i1n h TYR 46 CO -0.35 -0.04 0.18 -0.09 -1.64 0.00 0.00 178.16 176.22 3i1n h ARG 47 N 0.13 0.34 0.00 1.82 2.43 0.13 -2.99 114.38 116.23 3i1n h ARG 47 Ca 0.17 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3i1n h ARG 47 Cb 0.23 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3i1n h ARG 47 CO -0.27 0.22 -0.41 -0.25 -1.51 0.00 0.00 179.97 177.75 3i1n n ASP 48 N -5.03 0.47 0.02 -3.80 10.43 0.48 -2.00 116.55 117.12 3i1n n ASP 48 Ca 0.07 0.04 0.01 0.00 2.57 0.00 0.00 54.79 57.47 3i1n n ASP 48 Cb 0.24 0.03 0.33 0.00 1.84 0.00 0.00 41.12 43.56 3i1n n ASP 48 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 3i1n h ARG 49 N 0.00 0.47 0.01 -1.24 3.08 -0.76 0.31 114.38 116.25 3i1n h ARG 49 Ca 0.00 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 3i1n h ARG 49 Cb 0.58 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.57 3i1n h ARG 49 CO 0.00 0.49 -0.62 0.00 -1.07 0.00 0.00 179.97 178.77 3i1n h ARG 50 N 0.46 0.40 -0.59 0.04 -0.00 -1.49 -3.35 114.38 109.86 3i1n h ARG 50 Ca 0.10 -0.44 0.02 0.00 -0.50 0.00 0.00 59.98 59.16 3i1n h ARG 50 Cb 0.28 0.13 -0.03 0.00 0.00 0.00 0.00 29.97 30.34 3i1n h ARG 50 CO 0.01 1.11 0.39 1.96 0.00 0.00 0.00 179.97 183.44 3i1n h GLN 51 N -0.13 0.73 -0.49 0.04 4.20 -1.08 -2.76 115.11 115.62 3i1n h GLN 51 Ca -0.08 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.61 3i1n h GLN 51 Cb 1.34 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 3i1n h GLN 51 CO 0.12 0.48 0.29 -0.09 -0.67 0.00 0.00 178.83 178.97 3i1n h ARG 52 N 0.75 0.57 -0.79 1.46 2.43 -0.51 0.64 114.38 118.92 3i1n h ARG 52 Ca 0.22 -0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.54 3i1n h ARG 52 Cb -0.01 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 3i1n h ARG 52 CO -0.05 0.38 0.53 0.87 -1.51 0.00 0.00 179.97 180.19 3i1n h LYS 53 N 0.59 0.31 0.07 0.20 1.79 -1.64 -1.86 116.57 116.03 3i1n h LYS 53 Ca 0.19 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3i1n h LYS 53 Cb 0.01 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3i1n h LYS 53 CO -0.08 0.20 -0.03 0.00 -1.08 0.00 0.00 179.45 178.46 3i1n h ARG 54 N 0.32 -0.09 -0.92 3.15 3.08 -0.95 -3.11 114.38 115.86 3i1n h ARG 54 Ca 0.39 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.59 3i1n h ARG 54 Cb 1.06 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.04 3i1n h ARG 54 CO -0.11 0.23 0.54 1.96 -1.07 0.00 0.00 179.97 181.52 3i1n h GLN 55 N -0.99 0.77 0.29 0.04 4.20 -0.91 -0.91 115.11 117.60 3i1n h GLN 55 Ca -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3i1n h GLN 55 Cb 0.37 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3i1n h GLN 55 CO 0.02 0.51 -0.14 0.74 -0.67 0.00 0.00 178.83 179.29 3i1n h PHE 56 N 0.80 -0.36 -0.45 2.96 -1.00 -1.49 -0.19 116.94 117.21 3i1n h PHE 56 Ca 0.48 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 61.32 3i1n h PHE 56 Cb 0.60 0.12 -0.09 0.00 3.61 0.00 0.00 35.95 40.18 3i1n h PHE 56 CO -0.04 -0.13 -0.47 -0.09 -1.61 0.00 0.00 178.31 175.97 3i1n h ARG 57 N -0.52 -0.31 0.00 1.51 2.43 -1.17 0.16 114.38 116.48 3i1n h ARG 57 Ca -0.04 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3i1n h ARG 57 Cb 0.38 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3i1n h ARG 57 CO 0.06 -0.21 -0.06 -0.56 -1.51 0.00 0.00 179.97 177.69 3i1n h GLN 58 N -0.32 0.00 0.54 0.20 3.07 -1.12 0.16 115.11 117.64 3i1n h GLN 58 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.84 3i1n h GLN 58 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.15 3i1n h GLN 58 CO -0.61 0.06 -0.26 1.25 0.09 0.00 0.00 178.83 179.37 3i1n h LEU 59 N 0.00 -0.61 -0.72 0.06 7.12 0.77 -2.55 115.31 119.38 3i1n h LEU 59 Ca -0.00 -0.03 0.16 0.00 0.13 0.00 0.00 57.88 58.14 3i1n h LEU 59 Cb 0.35 0.16 -0.12 0.00 -0.53 0.00 0.00 40.66 40.51 3i1n h LEU 59 CO 0.01 -0.22 0.04 -0.50 -0.13 0.00 0.00 178.44 177.64 3i1n h TRP 60 N -1.11 0.03 -0.41 1.25 6.55 -0.19 -0.71 115.95 121.35 3i1n h TRP 60 Ca -0.07 0.05 0.05 0.00 0.95 0.00 0.00 58.89 59.86 3i1n h TRP 60 Cb 0.61 0.10 -0.04 0.00 -0.86 0.00 0.00 29.16 28.97 3i1n h TRP 60 CO 0.01 -0.19 0.17 0.82 -1.05 0.00 0.00 178.44 178.19 3i1n h ILE 61 N 0.14 0.91 -0.70 1.49 2.04 -1.02 0.55 117.51 120.92 3i1n h ILE 61 Ca 0.39 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 66.21 3i1n h ILE 61 Cb 0.68 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 3i1n h ILE 61 CO -0.60 0.06 0.38 0.00 0.00 0.00 0.00 178.15 177.99 3i1n h ALA 62 N 1.25 0.95 -0.05 1.87 0.00 -0.70 0.11 119.26 122.68 3i1n h ALA 62 Ca 0.19 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 3i1n h ALA 62 Cb 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i1n h ALA 62 CO -0.17 0.04 -0.80 0.07 0.00 0.00 0.00 179.25 178.38 3i1n h ARG 63 N 0.68 0.41 -0.80 0.00 -0.00 -0.81 -2.20 114.38 111.68 3i1n h ARG 63 Ca 0.32 -0.37 0.01 0.00 -0.00 0.00 0.00 59.98 59.94 3i1n h ARG 63 Cb 0.25 0.09 -0.04 0.00 -0.00 0.00 0.00 29.97 30.26 3i1n h ARG 63 CO -0.21 1.02 0.52 0.82 -0.00 0.00 0.00 179.97 182.12 3i1n h ILE 64 N 0.27 1.21 0.49 0.08 2.04 0.07 -1.07 117.51 120.60 3i1n h ILE 64 Ca -0.05 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3i1n h ILE 64 Cb 1.40 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3i1n h ILE 64 CO 0.14 0.21 -0.29 -1.13 0.00 0.00 0.00 178.15 177.07 3i1n h ASN 65 N 1.08 -0.72 -0.79 1.72 -0.00 -0.63 0.37 115.58 116.62 3i1n h ASN 65 Ca 0.29 0.04 0.19 0.00 -0.00 0.00 0.00 56.30 56.82 3i1n h ASN 65 Cb -0.11 0.21 -0.13 0.00 -0.00 0.00 0.00 38.32 38.29 3i1n h ASN 65 CO -0.06 -0.46 0.13 0.00 -0.00 0.00 0.00 177.43 177.04 3i1n h ALA 66 N -0.27 0.99 0.78 1.57 0.00 -1.20 0.52 119.26 121.65 3i1n h ALA 66 Ca -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i1n h ALA 66 Cb 0.60 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.72 3i1n h ALA 66 CO 0.07 -0.41 -0.37 0.00 0.00 0.00 0.00 179.25 178.54 3i1n h ALA 67 N 1.70 -1.13 -0.28 0.00 0.00 -0.62 -2.06 119.26 116.87 3i1n h ALA 67 Ca 0.46 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3i1n h ALA 67 Cb 0.84 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 3i1n h ALA 67 CO -0.61 -1.06 -0.26 0.00 0.00 0.00 0.00 179.25 177.32 3i1n h ALA 68 N -1.39 -0.14 -0.52 0.00 0.00 0.35 0.36 119.26 117.92 3i1n h ALA 68 Ca -0.11 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.01 3i1n h ALA 68 Cb 0.80 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3i1n h ALA 68 CO 0.18 -0.68 0.36 -0.09 0.00 0.00 0.00 179.25 179.02 3i1n h ARG 69 N -0.25 0.12 -0.03 0.00 9.65 0.10 0.47 114.38 124.45 3i1n h ARG 69 Ca 0.15 -0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 58.91 3i1n h ARG 69 Cb 0.48 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 3i1n h ARG 69 CO -0.42 0.08 -0.50 0.37 2.80 0.00 0.00 179.97 182.30 3i1n h GLN 70 N 0.13 0.07 -1.01 0.20 5.75 -0.19 -2.44 115.11 117.61 3i1n h GLN 70 Ca 0.25 -0.04 -0.42 0.00 -0.15 0.00 0.00 58.65 58.29 3i1n h GLN 70 Cb 0.80 0.00 -0.24 0.00 1.07 0.00 0.00 27.48 29.11 3i1n h GLN 70 CO -0.03 0.55 0.53 0.09 -2.65 0.00 0.00 178.83 177.32 3i1n n ASN 71 N -3.95 3.83 -1.22 -0.69 3.02 0.16 -4.94 115.26 111.47 3i1n n ASN 71 Ca -0.02 -3.28 -0.12 0.00 -0.03 0.00 0.00 54.58 51.14 3i1n n ASN 71 Cb 0.52 -0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 3i1n n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1n n GLY 72 N -0.77 0.35 2.90 7.41 0.00 -0.92 -5.02 105.19 109.15 3i1n n GLY 72 Ca 0.47 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3i1n n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1n s ILE 73 N -2.55 0.01 0.68 -0.61 1.10 -1.03 -5.00 121.20 113.80 3i1n s ILE 73 Ca 0.00 -0.09 -0.12 0.00 -0.51 0.00 0.00 60.65 59.92 3i1n s ILE 73 Cb 0.00 -0.06 0.00 0.00 0.15 0.00 0.00 42.46 42.55 3i1n s ILE 73 CO 0.00 -0.05 1.07 -0.94 -2.11 0.00 0.00 174.94 172.90 3i1n s SER 74 N -0.14 5.34 0.24 4.50 1.04 -1.26 -1.58 113.70 121.83 3i1n s SER 74 Ca -0.02 1.72 -0.05 0.00 0.48 0.00 0.00 55.95 58.08 3i1n s SER 74 Cb -0.01 -2.51 0.34 0.00 0.10 0.00 0.00 66.02 63.94 3i1n s SER 74 CO -0.00 -1.47 1.84 0.22 0.98 0.00 0.00 173.24 174.81 3i1n h TYR 75 N -0.45 0.96 0.09 5.02 3.20 -1.90 -0.10 116.97 123.79 3i1n h TYR 75 Ca -0.45 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 3i1n h TYR 75 Cb 1.22 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 3i1n h TYR 75 CO 0.60 0.47 -0.06 0.77 -1.64 0.00 0.00 178.16 178.30 3i1n h SER 76 N 0.93 -0.15 -0.64 -2.11 0.02 -2.00 0.06 113.55 109.67 3i1n h SER 76 Ca 0.38 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.47 3i1n h SER 76 Cb 0.21 0.04 -0.12 0.00 0.14 0.00 0.00 62.40 62.67 3i1n h SER 76 CO -0.19 -0.09 -0.14 0.11 -1.14 0.00 0.00 176.83 175.39 3i1n h LYS 77 N -0.14 0.01 -0.11 3.45 1.57 -1.91 -1.72 116.57 117.72 3i1n h LYS 77 Ca -0.01 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3i1n h LYS 77 Cb 0.12 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 3i1n h LYS 77 CO 0.01 0.01 -0.54 0.35 -0.57 0.00 0.00 179.45 178.71 3i1n h PHE 78 N 0.01 -1.59 -0.27 -1.35 3.04 -0.76 0.33 116.94 116.36 3i1n h PHE 78 Ca 0.31 0.06 0.05 0.00 3.98 0.00 0.00 57.97 62.37 3i1n h PHE 78 Cb 0.48 0.71 -0.08 0.00 2.56 0.00 0.00 35.95 39.62 3i1n h PHE 78 CO -0.50 -0.55 -0.45 0.82 -2.02 0.00 0.00 178.31 175.61 3i1n h ILE 79 N -0.60 0.11 -0.76 1.41 1.08 -0.28 -0.63 117.51 117.83 3i1n h ILE 79 Ca 0.03 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.66 3i1n h ILE 79 Cb 0.69 0.11 -0.11 0.00 -3.07 0.00 0.00 36.82 34.44 3i1n h ILE 79 CO -0.42 0.00 0.25 -1.13 -0.69 0.00 0.00 178.15 176.16 3i1n h ASN 80 N -0.42 0.15 0.01 1.72 -0.00 -0.38 0.20 115.58 116.86 3i1n h ASN 80 Ca 0.10 0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.53 3i1n h ASN 80 Cb 0.61 0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 39.07 3i1n h ASN 80 CO -0.49 0.02 -0.08 1.23 -0.00 0.00 0.00 177.43 178.10 3i1n h GLY 81 N 0.35 -1.27 -0.61 1.57 0.00 0.91 0.48 103.07 104.50 3i1n h GLY 81 Ca 0.43 0.57 0.34 0.00 0.00 0.00 0.00 47.33 48.68 3i1n h GLY 81 CO -0.47 -0.45 0.70 1.41 0.00 0.00 0.00 176.54 177.72 3i1n h LEU 82 N -0.11 0.40 0.36 3.11 3.38 0.06 2.48 115.31 124.99 3i1n h LEU 82 Ca 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3i1n h LEU 82 Cb 0.11 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3i1n h LEU 82 CO -0.05 -0.08 -0.17 0.50 0.09 0.00 0.00 178.44 178.73 3i1n h LYS 83 N 0.26 -0.46 -0.11 1.13 3.64 0.57 -3.00 116.57 118.60 3i1n h LYS 83 Ca 0.72 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 60.07 3i1n h LYS 83 Cb 1.94 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.85 3i1n h LYS 83 CO -0.44 -0.14 -0.22 0.87 -2.27 0.00 0.00 179.45 177.24 3i1n h LYS 84 N -0.83 0.18 -6.22 1.90 1.57 0.20 -3.38 116.57 109.99 3i1n h LYS 84 Ca -0.05 -0.05 -0.67 0.00 -1.87 0.00 0.00 60.65 58.01 3i1n h LYS 84 Cb 0.53 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.84 3i1n h LYS 84 CO 0.08 0.40 0.99 0.00 -0.57 0.00 0.00 179.45 180.35 3i1n n ALA 85 N -2.49 0.35 0.00 3.86 0.00 0.81 -4.13 120.51 118.92 3i1n n ALA 85 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3i1n n ALA 85 Cb 0.32 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.41 3i1n n ALA 85 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i1n n SER 86 N 5.92 0.00 0.00 0.00 7.64 -1.26 -2.77 113.62 123.15 3i1n n SER 86 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 3i1n n SER 86 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 3i1n n SER 86 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3i1n n VAL 87 N 0.00 0.00 -1.93 0.44 0.31 -1.26 -4.78 118.33 111.12 3i1n n VAL 87 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3i1n n VAL 87 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1n n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i1n n GLU 88 N 0.00 -0.96 -4.98 5.55 0.00 -1.12 -4.33 120.64 114.80 3i1n n GLU 88 Ca 0.00 1.14 -0.27 0.00 0.00 0.00 0.00 57.16 58.03 3i1n n GLU 88 Cb 0.00 -2.69 -0.16 0.00 0.00 0.00 0.00 31.44 28.59 3i1n n GLU 88 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 3i1n s ILE 89 N -1.08 1.60 -0.30 6.31 -4.36 -1.26 -4.45 121.20 117.66 3i1n s ILE 89 Ca 0.04 -0.85 -0.17 0.00 -0.26 0.00 0.00 60.65 59.41 3i1n s ILE 89 Cb -0.01 -1.35 0.18 0.00 1.25 0.00 0.00 42.46 42.53 3i1n s ILE 89 CO 0.26 0.46 1.21 -0.62 0.24 0.00 0.00 174.94 176.48 3i1n s ASP 90 N -0.31 -0.03 0.76 4.36 -1.08 -1.26 -5.16 116.67 113.94 3i1n s ASP 90 Ca 0.04 0.01 -0.14 0.00 -0.52 0.00 0.00 52.55 51.93 3i1n s ASP 90 Cb -0.09 1.02 -0.12 0.00 -1.46 0.00 0.00 42.92 42.26 3i1n s ASP 90 CO 0.00 -0.01 -0.58 0.54 0.52 0.00 0.00 175.17 175.65 3i1n n ARG 91 N 5.16 0.00 0.11 4.34 1.74 -1.26 -4.73 116.66 122.02 3i1n n ARG 91 Ca 0.04 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.93 3i1n n ARG 91 Cb 0.58 -0.81 -0.15 0.00 -1.02 0.00 0.00 32.46 31.06 3i1n n ARG 91 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i1n h LYS 92 N -0.70 0.36 -0.37 5.56 1.57 -1.99 -2.35 116.57 118.65 3i1n h LYS 92 Ca -0.35 -0.62 0.02 0.00 -1.87 0.00 0.00 60.65 57.82 3i1n h LYS 92 Cb 1.07 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 3i1n h LYS 92 CO 0.21 1.28 0.25 0.97 -0.57 0.00 0.00 179.45 181.58 3i1n h ILE 93 N 0.10 1.06 0.00 1.86 2.10 -1.94 -2.42 117.51 118.27 3i1n h ILE 93 Ca -0.22 -0.15 -0.16 0.00 1.08 0.00 0.00 64.86 65.41 3i1n h ILE 93 Cb 2.06 0.58 -0.02 0.00 -1.09 0.00 0.00 36.82 38.34 3i1n h ILE 93 CO 0.22 0.08 -0.78 0.25 -1.08 0.00 0.00 178.15 176.83 3i1n h LEU 94 N 0.44 0.00 -4.00 2.19 7.12 -1.86 -3.12 115.31 116.08 3i1n h LEU 94 Ca 0.14 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 58.01 3i1n h LEU 94 Cb 0.04 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.12 3i1n h LEU 94 CO -0.03 0.78 -0.25 0.00 -0.13 0.00 0.00 178.44 178.81 3i1n n ALA 95 N -2.30 5.50 1.11 1.25 0.00 -0.90 -2.94 120.51 122.25 3i1n n ALA 95 Ca 0.01 -1.42 0.12 0.00 0.00 0.00 0.00 53.44 52.15 3i1n n ALA 95 Cb 0.85 -2.17 0.18 0.00 0.00 0.00 0.00 19.45 18.31 3i1n n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i1n n ASP 96 N 2.44 2.41 0.08 0.00 3.85 -1.18 -3.44 116.55 120.71 3i1n n ASP 96 Ca 0.33 -1.75 0.17 0.00 -0.71 0.00 0.00 54.79 52.84 3i1n n ASP 96 Cb 0.77 0.10 0.70 0.00 -1.35 0.00 0.00 41.12 41.34 3i1n n ASP 96 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.20 176.35 3i1n h ILE 97 N 3.62 0.73 -0.82 2.12 -0.00 -1.85 -0.46 117.51 120.86 3i1n h ILE 97 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 64.86 65.01 3i1n h ILE 97 Cb 0.83 0.80 -0.15 0.00 -0.00 0.00 0.00 36.82 38.30 3i1n h ILE 97 CO 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 178.15 177.88 3i1n h ALA 98 N 1.78 0.36 0.15 0.16 0.00 -1.80 0.39 119.26 120.30 3i1n h ALA 98 Ca 0.18 0.28 -0.24 0.00 0.00 0.00 0.00 54.91 55.13 3i1n h ALA 98 Cb 0.74 0.74 0.03 0.00 0.00 0.00 0.00 17.79 19.30 3i1n h ALA 98 CO -0.00 -0.50 -1.05 0.28 0.00 0.00 0.00 179.25 177.98 3i1n h VAL 99 N -0.03 1.40 -0.01 0.00 2.07 -1.45 -3.42 116.25 114.81 3i1n h VAL 99 Ca 0.36 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.36 3i1n h VAL 99 Cb 0.60 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3i1n h VAL 99 CO -0.85 0.74 -0.73 0.49 0.02 0.00 0.00 177.57 177.23 3i1n n PHE 100 N -3.97 0.00 -2.97 1.57 0.99 -0.32 -4.67 117.46 108.09 3i1n n PHE 100 Ca -0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.18 3i1n n PHE 100 Cb 0.91 -0.04 -0.02 0.00 -1.00 0.00 0.00 39.48 39.33 3i1n n PHE 100 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3i1n n ASP 101 N -1.01 -2.21 0.28 4.37 4.64 0.14 -5.01 116.55 117.75 3i1n n ASP 101 Ca 0.06 -2.82 0.14 0.00 -1.38 0.00 0.00 54.79 50.80 3i1n n ASP 101 Cb 0.37 0.91 0.84 0.00 -1.04 0.00 0.00 41.12 42.21 3i1n n ASP 101 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3i1n h LYS 102 N 4.89 0.00 0.24 -0.67 1.57 -1.80 -1.08 116.57 119.72 3i1n h LYS 102 Ca 0.08 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.54 3i1n h LYS 102 Cb 1.02 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.36 3i1n h LYS 102 CO 0.21 0.05 -1.45 0.28 -0.57 0.00 0.00 179.45 177.96 3i1n h VAL 103 N 0.00 1.26 0.00 0.50 2.07 -1.95 -1.76 116.25 116.36 3i1n h VAL 103 Ca -0.00 -2.66 -0.05 0.00 0.82 0.00 0.00 66.70 64.82 3i1n h VAL 103 Cb 0.13 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3i1n h VAL 103 CO 0.01 0.81 -0.21 0.00 0.02 0.00 0.00 177.57 178.19 3i1n h ALA 104 N 0.13 1.62 0.02 1.67 0.00 -1.84 -1.60 119.26 119.27 3i1n h ALA 104 Ca -0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i1n h ALA 104 Cb 2.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3i1n h ALA 104 CO 0.25 0.27 -0.01 0.35 0.00 0.00 0.00 179.25 180.11 3i1n h PHE 105 N 0.00 -0.02 -0.83 0.00 3.04 -1.04 -2.05 116.94 116.03 3i1n h PHE 105 Ca -0.00 -0.00 0.21 0.00 3.98 0.00 0.00 57.97 62.16 3i1n h PHE 105 Cb 0.39 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.86 3i1n h PHE 105 CO 0.00 0.43 0.58 1.15 -2.02 0.00 0.00 178.31 178.45 3i1n h THR 106 N -0.49 0.65 -0.79 4.41 2.02 -1.27 0.51 112.91 117.94 3i1n h THR 106 Ca -0.00 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.14 3i1n h THR 106 Cb 0.47 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3i1n h THR 106 CO 0.00 0.04 0.52 0.00 0.37 0.00 0.00 175.52 176.45 3i1n h ALA 107 N 1.61 1.52 0.18 6.16 0.00 -0.58 -1.64 119.26 126.51 3i1n h ALA 107 Ca 0.41 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.97 3i1n h ALA 107 Cb 1.32 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 18.87 3i1n h ALA 107 CO -0.09 0.40 -1.35 -0.07 0.00 0.00 0.00 179.25 178.15 3i1n h LEU 108 N 0.98 0.87 -1.54 0.00 3.38 0.32 -2.41 115.31 116.91 3i1n h LEU 108 Ca 0.31 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3i1n h LEU 108 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3i1n h LEU 108 CO -0.09 1.66 0.28 0.58 0.09 0.00 0.00 178.44 180.96 3i1n h VAL 109 N 0.21 1.12 0.73 1.22 2.07 -1.08 0.38 116.25 120.90 3i1n h VAL 109 Ca -0.22 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3i1n h VAL 109 Cb 2.03 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3i1n h VAL 109 CO 0.26 0.12 -0.35 -0.33 0.02 0.00 0.00 177.57 177.29 3i1n h GLU 110 N 0.61 -0.94 -0.85 1.57 4.39 -1.28 0.40 114.58 118.47 3i1n h GLU 110 Ca 0.16 0.06 0.22 0.00 0.34 0.00 0.00 59.36 60.14 3i1n h GLU 110 Cb -0.05 0.21 -0.14 0.00 -0.10 0.00 0.00 28.75 28.67 3i1n h GLU 110 CO -0.03 -0.61 0.11 -0.22 -1.16 0.00 0.00 179.01 177.10 3i1n h LYS 111 N -1.09 0.13 0.27 2.33 1.63 -0.62 -0.78 116.57 118.44 3i1n h LYS 111 Ca -0.10 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 3i1n h LYS 111 Cb 0.77 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 3i1n h LYS 111 CO 0.16 0.09 -0.13 0.00 -3.45 0.00 0.00 179.45 176.12 3i1n h ALA 112 N 1.79 -0.36 -1.22 5.00 0.00 -0.25 -2.66 119.26 121.55 3i1n h ALA 112 Ca 0.50 -0.17 0.35 0.00 0.00 0.00 0.00 54.91 55.60 3i1n h ALA 112 Cb 0.98 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3i1n h ALA 112 CO -0.71 -0.55 0.88 0.87 0.00 0.00 0.00 179.25 179.74 3i1n h LYS 113 N -0.66 0.02 0.05 0.00 1.57 0.12 -2.66 116.57 115.00 3i1n h LYS 113 Ca -0.04 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.45 3i1n h LYS 113 Cb 0.46 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3i1n h LYS 113 CO 0.06 0.01 -1.61 0.00 -0.57 0.00 0.00 179.45 177.34 3i1n n ALA 114 N -2.76 0.84 0.78 3.86 0.00 -0.51 -2.34 120.51 120.38 3i1n n ALA 114 Ca 0.27 -0.54 0.06 0.00 0.00 0.00 0.00 53.44 53.22 3i1n n ALA 114 Cb 1.27 -0.60 0.33 0.00 0.00 0.00 0.00 19.45 20.46 3i1n n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n ALA 115 N -3.26 1.96 -0.01 0.00 0.00 -1.01 -1.55 120.51 116.63 3i1n n ALA 115 Ca -0.33 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.07 3i1n n ALA 115 Cb 0.84 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 19.04 3i1n n ALA 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1n n LEU 116 N -0.94 0.00 0.00 0.00 7.94 -1.03 -4.66 117.00 118.31 3i1n n LEU 116 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 3i1n n LEU 116 Cb 0.04 0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.03 3i1n n LEU 116 CO 0.06 0.05 0.19 0.00 -1.11 0.00 0.00 177.39 176.58