#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n LEU 3 N 0.00 0.00 -0.73 0.55 0.00 -1.26 -1.35 117.00 114.21 3i1r n LEU 3 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.04 3i1r n LEU 3 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 43.42 43.45 3i1r n LEU 3 CO 0.00 0.00 0.24 -0.46 0.00 0.00 0.00 177.39 177.17 3i1r n ASN 4 N -0.85 0.65 0.00 1.96 2.04 -1.26 -4.84 115.26 112.97 3i1r n ASN 4 Ca 0.09 -2.24 0.00 0.00 -0.44 0.00 0.00 54.58 51.99 3i1r n ASN 4 Cb 0.04 -0.27 0.00 0.00 -2.53 0.00 0.00 39.78 37.02 3i1r n ASN 4 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 3i1r n THR 5 N -0.10 0.00 -3.39 5.53 -2.24 -0.46 -5.00 114.28 108.62 3i1r n THR 5 Ca 0.05 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 61.11 3i1r n THR 5 Cb 0.81 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 70.05 3i1r n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3i1r s LEU 6 N -1.08 4.39 0.15 3.22 0.05 -1.17 -5.08 118.68 119.17 3i1r s LEU 6 Ca 0.00 0.92 0.06 0.00 0.05 0.00 0.00 54.13 55.16 3i1r s LEU 6 Cb 0.00 -2.67 -0.04 0.00 -2.05 0.00 0.00 46.19 41.43 3i1r s LEU 6 CO 0.00 0.17 -0.13 -0.94 -0.55 0.00 0.00 176.35 174.90 3i1r s SER 7 N -0.30 2.10 0.89 1.48 1.04 -1.26 -5.09 113.70 112.55 3i1r s SER 7 Ca 0.25 -0.91 -0.12 0.00 0.48 0.00 0.00 55.95 55.65 3i1r s SER 7 Cb -0.16 -0.07 0.13 0.00 0.10 0.00 0.00 66.02 66.01 3i1r s SER 7 CO 0.12 -0.19 1.14 -2.16 0.98 0.00 0.00 173.24 173.14 3i1r s PRO 8 N -3.15 1.32 0.41 4.02 0.04 -1.26 -4.96 135.00 131.42 3i1r s PRO 8 Ca 0.14 0.28 -0.26 0.00 0.04 0.00 0.00 61.00 61.20 3i1r s PRO 8 Cb -0.02 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.55 3i1r s PRO 8 CO 0.03 -2.07 1.27 0.00 0.04 0.00 0.00 177.00 176.28 3i1r n ALA 9 N -3.68 1.30 -1.73 8.56 0.00 -1.26 -4.89 120.51 118.81 3i1r n ALA 9 Ca 0.07 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 3i1r n ALA 9 Cb 0.59 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 3i1r n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1r n GLU 10 N 0.14 2.76 0.00 0.00 4.07 -1.26 -2.53 120.64 123.82 3i1r n GLU 10 Ca 0.06 0.99 0.00 0.00 -0.06 0.00 0.00 57.16 58.15 3i1r n GLU 10 Cb 0.39 -2.80 0.00 0.00 -0.06 0.00 0.00 31.44 28.96 3i1r n GLU 10 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i1r n GLY 11 N 3.03 2.97 0.00 8.31 0.00 -1.26 -4.93 105.19 113.30 3i1r n GLY 11 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i1r n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1r n SER 12 N 0.00 0.00 -4.29 1.61 2.88 -1.05 -3.96 113.62 108.81 3i1r n SER 12 Ca 0.00 0.71 -0.43 0.00 -1.33 0.00 0.00 58.87 57.83 3i1r n SER 12 Cb 0.00 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 3i1r n SER 12 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i1r n LYS 13 N -1.17 3.08 -0.93 -1.46 4.76 -1.26 -4.98 118.16 116.20 3i1r n LYS 13 Ca 0.00 -3.05 -0.30 0.00 -2.87 0.00 0.00 58.31 52.08 3i1r n LYS 13 Cb 0.00 -3.43 0.16 0.00 -1.84 0.00 0.00 35.03 29.92 3i1r n LYS 13 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3i1r s LYS 14 N 3.88 1.04 0.00 1.97 2.20 -1.25 -5.00 119.74 122.57 3i1r s LYS 14 Ca 0.52 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 3i1r s LYS 14 Cb 0.07 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.64 3i1r s LYS 14 CO 0.02 -2.49 0.00 0.00 -0.36 0.00 0.00 175.35 172.53 3i1r n ALA 15 N -4.10 0.00 0.00 3.13 0.00 -1.26 -5.04 120.51 113.24 3i1r n ALA 15 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3i1r n ALA 15 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i1r n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 16 N 0.00 2.56 3.70 0.00 0.00 -1.26 -5.11 105.19 105.08 3i1r n GLY 16 Ca 0.00 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3i1r n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1r n LYS 17 N 0.00 2.30 -0.11 1.61 5.02 -1.26 -4.94 118.16 120.77 3i1r n LYS 17 Ca 0.00 0.82 -0.19 0.00 -2.02 0.00 0.00 58.31 56.91 3i1r n LYS 17 Cb 0.00 -2.51 -0.07 0.00 -0.02 0.00 0.00 35.03 32.43 3i1r n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1r n ARG 18 N 1.86 0.56 -0.09 1.97 1.74 -1.26 -5.12 116.66 116.32 3i1r n ARG 18 Ca 0.09 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 3i1r n ARG 18 Cb 0.34 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3i1r n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3i1r n LEU 19 N -4.36 -1.57 -2.15 0.55 0.00 -1.26 -4.92 117.00 103.29 3i1r n LEU 19 Ca -0.34 0.16 -0.07 0.00 0.00 0.00 0.00 56.01 55.76 3i1r n LEU 19 Cb 0.70 0.79 0.04 0.00 0.00 0.00 0.00 43.42 44.95 3i1r n LEU 19 CO 0.12 -0.00 0.04 0.61 0.00 0.00 0.00 177.39 178.16 3i1r n GLY 20 N -0.76 0.05 2.12 -3.96 0.00 -0.71 -4.97 105.19 96.97 3i1r n GLY 20 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 3i1r n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1r n ARG 21 N -2.36 0.89 0.00 1.61 3.00 -1.26 -4.74 116.66 113.80 3i1r n ARG 21 Ca -0.10 -2.09 0.00 0.00 -0.00 0.00 0.00 57.85 55.66 3i1r n ARG 21 Cb 0.57 -0.31 0.00 0.00 0.00 0.00 0.00 32.46 32.72 3i1r n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1r n GLY 22 N -0.45 1.70 0.49 5.14 0.00 -1.26 -4.70 105.19 106.11 3i1r n GLY 22 Ca -0.06 -1.71 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 3i1r n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i1r h ILE 23 N 0.00 0.01 -0.92 -0.61 2.04 -1.94 -2.34 117.51 113.75 3i1r h ILE 23 Ca 0.00 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.09 3i1r h ILE 23 Cb 0.00 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.03 3i1r h ILE 23 CO 0.00 0.00 0.63 1.23 0.00 0.00 0.00 178.15 180.01 3i1r h GLY 24 N -0.86 0.57 -0.10 5.37 0.00 -1.99 -1.05 103.07 105.02 3i1r h GLY 24 Ca -0.03 -0.12 0.27 0.00 0.00 0.00 0.00 47.33 47.45 3i1r h GLY 24 CO -0.20 -0.02 0.68 1.48 0.00 0.00 0.00 176.54 178.47 3i1r h SER 25 N 0.24 0.39 0.00 0.19 4.64 -1.70 -3.45 113.55 113.86 3i1r h SER 25 Ca 0.47 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3i1r h SER 25 Cb 1.43 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3i1r h SER 25 CO -0.12 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 3i1r n GLY 26 N -1.51 2.31 3.39 -0.77 0.00 -0.40 -4.93 105.19 103.28 3i1r n GLY 26 Ca 0.25 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 3i1r n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i1r s LEU 27 N 0.00 5.40 -0.02 0.99 0.05 -1.26 -4.99 118.68 118.85 3i1r s LEU 27 Ca 0.00 -1.32 -0.08 0.00 0.05 0.00 0.00 54.13 52.78 3i1r s LEU 27 Cb 0.00 -2.32 0.01 0.00 -2.05 0.00 0.00 46.19 41.83 3i1r s LEU 27 CO 0.00 -0.97 0.18 -0.83 -0.55 0.00 0.00 176.35 174.19 3i1r s GLY 28 N 3.24 -0.04 0.42 -3.48 0.00 -1.26 -1.73 107.32 104.47 3i1r s GLY 28 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.97 3i1r s GLY 28 CO 0.07 0.01 0.00 1.17 0.00 0.00 0.00 173.10 174.36 3i1r n LYS 29 N 1.86 -3.11 0.00 2.90 4.81 -1.26 -4.21 118.16 119.14 3i1r n LYS 29 Ca -0.20 2.39 0.00 0.00 -0.87 0.00 0.00 58.31 59.64 3i1r n LYS 29 Cb 0.56 -2.92 0.00 0.00 0.02 0.00 0.00 35.03 32.69 3i1r n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i1r n THR 30 N -2.00 0.00 -4.28 3.15 -2.24 -1.26 -4.05 114.28 103.60 3i1r n THR 30 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 3i1r n THR 30 Cb 0.27 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.41 3i1r n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1r n GLY 31 N -0.16 -0.15 2.33 3.38 0.00 -1.26 -2.25 105.19 107.09 3i1r n GLY 31 Ca 0.00 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3i1r n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1r n GLY 32 N -2.43 0.02 0.15 -0.02 0.00 -1.26 -4.84 105.19 96.81 3i1r n GLY 32 Ca -0.30 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.39 3i1r n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1r n ARG 33 N -2.29 2.71 0.00 1.61 1.85 -0.95 -5.10 116.66 114.48 3i1r n ARG 33 Ca -0.08 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 54.95 3i1r n ARG 33 Cb 0.57 -1.16 0.00 0.00 -1.05 0.00 0.00 32.46 30.83 3i1r n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i1r n GLY 34 N -0.48 -0.27 3.39 2.89 0.00 -1.26 -4.40 105.19 105.06 3i1r n GLY 34 Ca 0.05 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 3i1r n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1r s HIS 35 N 0.00 2.83 0.02 1.61 3.76 -1.26 -4.86 115.29 117.40 3i1r s HIS 35 Ca 0.00 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 3i1r s HIS 35 Cb 0.00 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.85 3i1r s HIS 35 CO 0.00 -0.16 0.00 1.63 -0.85 0.00 0.00 174.74 175.36 3i1r n LYS 36 N 3.44 -0.20 0.00 1.40 5.02 -1.26 -4.99 118.16 121.56 3i1r n LYS 36 Ca -0.18 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3i1r n LYS 36 Cb 0.53 -0.25 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 3i1r n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1r n GLY 37 N -0.40 -1.48 0.45 0.72 0.00 -1.26 -4.21 105.19 99.01 3i1r n GLY 37 Ca 0.00 -1.39 0.23 0.00 0.00 0.00 0.00 46.02 44.86 3i1r n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i1r h GLN 38 N 0.00 0.00 0.00 1.61 4.15 -1.97 -0.11 115.11 118.79 3i1r h GLN 38 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3i1r h GLN 38 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3i1r h GLN 38 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 178.83 177.77 3i1r h LYS 39 N 0.00 0.00 0.00 1.69 1.57 -1.86 -3.25 116.57 114.72 3i1r h LYS 39 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3i1r h LYS 39 Cb 1.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.19 3i1r h LYS 39 CO -0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 3i1r n SER 40 N -3.10 0.00 -1.23 0.86 3.41 -0.05 -4.85 113.62 108.66 3i1r n SER 40 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3i1r n SER 40 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3i1r n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i1r n ARG 41 N 0.00 -2.00 -1.58 4.33 5.12 -1.26 -4.17 116.66 117.10 3i1r n ARG 41 Ca 0.00 1.74 -0.41 0.00 -1.93 0.00 0.00 57.85 57.25 3i1r n ARG 41 Cb 0.00 -1.74 -0.03 0.00 -1.16 0.00 0.00 32.46 29.53 3i1r n ARG 41 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i1r n SER 42 N 0.69 2.97 -0.59 0.55 2.88 -1.26 -1.22 113.62 117.64 3i1r n SER 42 Ca 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 3i1r n SER 42 Cb 0.00 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.90 3i1r n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1r n GLY 43 N 5.86 0.53 3.33 0.46 0.00 -1.26 -5.09 105.19 109.00 3i1r n GLY 43 Ca 0.32 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3i1r n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1r s GLY 44 N -2.30 1.33 0.00 -0.02 0.00 -0.36 -5.10 107.32 100.86 3i1r s GLY 44 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3i1r s GLY 44 CO 0.00 -1.00 0.00 0.61 0.00 0.00 0.00 173.10 172.71 3i1r n GLY 45 N 2.20 -1.79 3.00 0.20 0.00 -1.23 -4.77 105.19 102.81 3i1r n GLY 45 Ca -0.16 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 3i1r n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1r s VAL 46 N -2.58 0.78 0.96 1.61 -7.23 -1.26 -5.04 120.40 107.65 3i1r s VAL 46 Ca 0.00 -0.37 -0.14 0.00 -1.81 0.00 0.00 61.98 59.67 3i1r s VAL 46 Cb 0.00 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.25 3i1r s VAL 46 CO 0.00 0.24 0.16 -2.11 -0.31 0.00 0.00 175.10 173.08 3i1r n ARG 47 N 3.24 -0.25 -2.00 4.82 1.85 -1.26 -4.83 116.66 118.23 3i1r n ARG 47 Ca -0.18 -0.04 -0.41 0.00 -1.00 0.00 0.00 57.85 56.22 3i1r n ARG 47 Cb 0.55 -1.69 -0.02 0.00 -1.05 0.00 0.00 32.46 30.25 3i1r n ARG 47 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3i1r s ARG 48 N -3.31 4.27 0.00 2.89 3.00 -1.26 -2.59 118.95 121.94 3i1r s ARG 48 Ca 0.53 2.33 0.00 0.00 0.00 0.00 0.00 55.73 58.60 3i1r s ARG 48 Cb -0.20 -3.06 0.00 0.00 0.00 0.00 0.00 34.95 31.69 3i1r s ARG 48 CO 0.70 -0.36 0.00 0.41 0.00 0.00 0.00 175.30 176.06 3i1r n GLY 49 N 1.28 2.96 3.74 -3.53 0.00 -1.26 -5.00 105.19 103.37 3i1r n GLY 49 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3i1r n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i1r s PHE 50 N -1.86 2.82 -0.32 1.61 2.19 -1.07 -4.72 117.98 116.63 3i1r s PHE 50 Ca 0.00 0.63 0.16 0.00 0.33 0.00 0.00 56.93 58.05 3i1r s PHE 50 Cb 0.00 -4.09 0.47 0.00 -1.31 0.00 0.00 43.02 38.09 3i1r s PHE 50 CO 0.00 -3.83 1.05 -0.85 1.83 0.00 0.00 175.22 173.42 3i1r n GLU 51 N 2.85 1.91 0.00 10.12 0.28 -1.26 -4.90 120.64 129.64 3i1r n GLU 51 Ca 0.11 -3.61 0.00 0.00 -0.16 0.00 0.00 57.16 53.50 3i1r n GLU 51 Cb 0.37 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.63 3i1r n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i1r n GLY 52 N -0.35 -1.67 0.08 -1.84 0.00 -1.26 -4.37 105.19 95.77 3i1r n GLY 52 Ca 0.16 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.77 3i1r n GLY 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i1r h GLY 53 N 0.00 0.00 -3.66 -0.02 0.00 -2.02 -3.46 103.07 93.91 3i1r h GLY 53 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3i1r h GLY 53 CO 0.00 0.00 -1.17 -0.18 0.00 0.00 0.00 176.54 175.19 3i1r n GLN 54 N -2.20 0.06 -2.57 4.80 7.27 -1.26 -4.84 117.38 118.64 3i1r n GLN 54 Ca 0.03 0.02 -0.42 0.00 0.07 0.00 0.00 57.00 56.70 3i1r n GLN 54 Cb 0.45 -1.11 -0.03 0.00 2.41 0.00 0.00 30.24 31.96 3i1r n GLN 54 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 3i1r s MET 55 N -1.38 4.44 0.53 3.69 -2.45 -1.26 -4.71 119.30 118.16 3i1r s MET 55 Ca 0.55 1.56 -0.21 0.00 -1.25 0.00 0.00 55.69 56.34 3i1r s MET 55 Cb -0.43 -3.49 -0.05 0.00 1.25 0.00 0.00 34.83 32.11 3i1r s MET 55 CO 0.68 -0.28 1.23 -2.14 1.05 0.00 0.00 175.02 175.56 3i1r s PRO 56 N 1.64 3.29 0.22 4.11 0.02 -1.26 -4.63 135.00 138.40 3i1r s PRO 56 Ca 0.54 1.92 -0.09 0.00 0.02 0.00 0.00 61.00 63.38 3i1r s PRO 56 Cb -0.23 -2.18 0.35 0.00 0.02 0.00 0.00 34.50 32.45 3i1r s PRO 56 CO 0.24 -0.97 1.67 1.25 -0.33 0.00 0.00 177.00 178.86 3i1r h LEU 57 N 1.44 -0.16 -1.79 -5.54 5.85 -1.95 0.76 115.31 113.92 3i1r h LEU 57 Ca -0.50 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3i1r h LEU 57 Cb 1.28 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.55 3i1r h LEU 57 CO 0.57 -0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.59 3i1r n TYR 58 N -5.23 0.00 0.00 1.25 0.18 -1.26 -1.97 117.16 110.12 3i1r n TYR 58 Ca 0.11 -0.25 0.00 0.00 1.88 0.00 0.00 57.90 59.63 3i1r n TYR 58 Cb 0.38 -0.17 0.00 0.00 -0.38 0.00 0.00 39.34 39.17 3i1r n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3i1r n ARG 59 N 0.57 0.00 0.21 -3.48 5.12 0.24 -4.79 116.66 114.54 3i1r n ARG 59 Ca 0.00 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.00 3i1r n ARG 59 Cb 0.29 -0.35 0.46 0.00 -1.16 0.00 0.00 32.46 31.70 3i1r n ARG 59 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i1r h ARG 60 N 0.00 0.00 -6.01 5.56 3.08 -0.62 -3.43 114.38 112.96 3i1r h ARG 60 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3i1r h ARG 60 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3i1r h ARG 60 CO 0.00 0.28 -0.20 -0.51 -1.07 0.00 0.00 179.97 178.48 3i1r s LEU 61 N -7.27 4.47 0.51 3.04 1.02 -0.83 -5.08 118.68 114.53 3i1r s LEU 61 Ca -0.01 0.97 -0.17 0.00 0.02 0.00 0.00 54.13 54.93 3i1r s LEU 61 Cb 0.12 -2.60 -0.08 0.00 0.02 0.00 0.00 46.19 43.65 3i1r s LEU 61 CO 0.66 0.31 0.99 -2.16 0.02 0.00 0.00 176.35 176.17 3i1r s PRO 62 N -1.02 3.91 0.81 1.29 0.04 -1.26 -4.89 135.00 133.89 3i1r s PRO 62 Ca 0.24 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 3i1r s PRO 62 Cb -0.17 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.32 3i1r s PRO 62 CO 0.13 -0.30 1.09 0.15 0.04 0.00 0.00 177.00 178.12 3i1r s LYS 63 N -3.89 1.98 0.00 4.56 1.02 -1.26 -4.99 119.74 117.16 3i1r s LYS 63 Ca 0.60 0.69 0.00 0.00 0.02 0.00 0.00 55.97 57.29 3i1r s LYS 63 Cb -0.11 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3i1r s LYS 63 CO 0.28 -1.71 0.00 1.97 -0.92 0.00 0.00 175.35 174.98 3i1r n PHE 64 N -3.50 0.00 0.00 3.18 1.16 -1.26 -5.15 117.46 111.90 3i1r n PHE 64 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.65 3i1r n PHE 64 Cb 0.56 0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.53 3i1r n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i1r n GLY 65 N 0.00 -1.38 0.00 4.97 0.00 -1.26 -5.08 105.19 102.44 3i1r n GLY 65 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3i1r n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i1r n PHE 66 N -0.04 0.00 -3.15 1.61 7.35 -1.26 -5.17 117.46 116.80 3i1r n PHE 66 Ca 0.00 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.39 3i1r n PHE 66 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 3i1r n PHE 66 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3i1r s THR 67 N 0.00 4.88 -0.18 -2.13 2.01 -1.26 -5.05 115.64 113.91 3i1r s THR 67 Ca 0.00 0.44 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 3i1r s THR 67 Cb 0.00 -3.70 -0.21 0.00 0.01 0.00 0.00 72.50 68.60 3i1r s THR 67 CO 0.00 -0.34 0.24 -0.24 -0.69 0.00 0.00 174.62 173.59 3i1r n SER 68 N -0.87 1.96 0.00 3.53 2.88 -1.26 -4.96 113.62 114.91 3i1r n SER 68 Ca 0.01 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 3i1r n SER 68 Cb 0.54 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 3i1r n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i1r n ARG 69 N -4.07 0.00 0.10 -1.46 1.74 -1.26 -4.31 116.66 107.40 3i1r n ARG 69 Ca -0.33 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.73 3i1r n ARG 69 Cb 0.83 -0.08 0.22 0.00 -1.02 0.00 0.00 32.46 32.40 3i1r n ARG 69 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3i1r h LYS 70 N 0.00 0.22 0.00 5.56 3.64 -1.98 -2.52 116.57 121.49 3i1r h LYS 70 Ca 0.00 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3i1r h LYS 70 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3i1r h LYS 70 CO 0.00 0.62 -0.18 0.00 -2.27 0.00 0.00 179.45 177.62 3i1r h ALA 71 N 1.37 1.48 0.00 5.00 0.00 -1.93 -2.38 119.26 122.80 3i1r h ALA 71 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i1r h ALA 71 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i1r h ALA 71 CO 0.07 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3i1r h ALA 72 N 1.82 1.00 -0.12 0.00 0.00 -1.79 -3.06 119.26 117.12 3i1r h ALA 72 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3i1r h ALA 72 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3i1r h ALA 72 CO 0.02 0.00 -0.19 0.44 0.00 0.00 0.00 179.25 179.53 3i1r n ILE 73 N -2.36 2.20 -4.18 0.00 -5.35 -0.91 -4.83 119.36 103.94 3i1r n ILE 73 Ca 0.04 -2.65 -0.28 0.00 -0.27 0.00 0.00 62.75 59.59 3i1r n ILE 73 Cb 0.35 -0.26 -0.17 0.00 -1.74 0.00 0.00 39.64 37.82 3i1r n ILE 73 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i1r s THR 74 N -3.08 1.30 0.53 7.28 -4.23 -1.16 -0.54 115.64 115.75 3i1r s THR 74 Ca 0.38 -0.49 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 3i1r s THR 74 Cb 0.35 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.97 3i1r s THR 74 CO -0.00 0.41 0.26 0.00 -0.54 0.00 0.00 174.62 174.74 3i1r s ALA 75 N 1.31 4.31 0.16 3.99 0.00 -0.31 -4.96 121.76 126.27 3i1r s ALA 75 Ca -0.01 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.10 3i1r s ALA 75 Cb -0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3i1r s ALA 75 CO -0.05 -0.29 -0.23 -1.83 0.00 0.00 0.00 175.76 173.36 3i1r s GLU 76 N -4.14 1.39 -0.36 0.00 -1.05 -1.26 -1.52 118.70 111.76 3i1r s GLU 76 Ca 0.24 -1.42 -0.00 0.00 -0.15 0.00 0.00 54.97 53.64 3i1r s GLU 76 Cb -0.01 -1.67 0.13 0.00 -0.44 0.00 0.00 34.13 32.15 3i1r s GLU 76 CO 0.15 0.37 0.20 0.42 0.95 0.00 0.00 175.26 177.34 3i1r s ILE 77 N -1.59 0.38 0.60 1.83 1.09 0.83 -4.90 121.20 119.44 3i1r s ILE 77 Ca 0.16 -1.74 -0.18 0.00 -1.10 0.00 0.00 60.65 57.80 3i1r s ILE 77 Cb -0.08 -1.29 -0.09 0.00 -1.06 0.00 0.00 42.46 39.95 3i1r s ILE 77 CO 0.08 -0.93 0.43 0.54 -0.10 0.00 0.00 174.94 174.95 3i1r n ARG 78 N 4.13 0.40 0.21 2.79 1.74 -1.15 -4.22 116.66 120.56 3i1r n ARG 78 Ca 0.09 0.16 0.11 0.00 -0.77 0.00 0.00 57.85 57.44 3i1r n ARG 78 Cb 0.37 -1.63 0.66 0.00 -1.02 0.00 0.00 32.46 30.84 3i1r n ARG 78 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i1r h LEU 79 N 0.06 0.00 -0.52 0.55 3.38 -1.69 -2.33 115.31 114.77 3i1r h LEU 79 Ca -0.45 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.59 3i1r h LEU 79 Cb 1.39 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 3i1r h LEU 79 CO 0.45 0.00 0.20 0.77 0.09 0.00 0.00 178.44 179.95 3i1r h SER 80 N 0.00 0.23 -0.96 -0.43 4.64 -1.36 -3.37 113.55 112.29 3i1r h SER 80 Ca 0.05 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3i1r h SER 80 Cb 0.22 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3i1r h SER 80 CO -0.00 0.16 0.00 0.47 -0.87 0.00 0.00 176.83 176.59 3i1r n ASP 81 N -4.98 -1.29 0.00 4.97 8.00 -0.88 -3.95 116.55 118.42 3i1r n ASP 81 Ca 0.06 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3i1r n ASP 81 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3i1r n ASP 81 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3i1r n LEU 82 N 0.00 0.00 0.07 0.64 0.00 -1.26 -4.21 117.00 112.23 3i1r n LEU 82 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.05 3i1r n LEU 82 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 43.42 43.66 3i1r n LEU 82 CO 0.00 0.00 0.64 0.00 0.00 0.00 0.00 177.39 178.03 3i1r n ALA 83 N 0.00 0.95 -0.95 1.96 0.00 -1.25 -1.99 120.51 119.22 3i1r n ALA 83 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.59 3i1r n ALA 83 Cb 0.00 -1.05 0.10 0.00 0.00 0.00 0.00 19.45 18.49 3i1r n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i1r n LYS 84 N -1.79 1.45 0.19 0.00 2.85 -1.26 -4.61 118.16 115.00 3i1r n LYS 84 Ca -0.01 -2.16 0.07 0.00 -1.05 0.00 0.00 58.31 55.17 3i1r n LYS 84 Cb 0.06 -1.28 0.31 0.00 -0.65 0.00 0.00 35.03 33.47 3i1r n LYS 84 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 3i1r h VAL 85 N 0.77 0.69 -4.04 0.58 3.04 -1.75 -3.48 116.25 112.06 3i1r h VAL 85 Ca 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.21 3i1r h VAL 85 Cb 0.94 1.97 0.00 0.00 -2.01 0.00 0.00 31.29 32.19 3i1r h VAL 85 CO 0.00 0.32 -0.36 1.21 -1.01 0.00 0.00 177.57 177.73 3i1r n GLU 86 N -3.38 -1.42 0.00 4.17 2.13 -1.26 -4.76 120.64 116.12 3i1r n GLU 86 Ca 0.01 1.44 0.00 0.00 0.66 0.00 0.00 57.16 59.27 3i1r n GLU 86 Cb 0.53 -3.28 0.00 0.00 0.27 0.00 0.00 31.44 28.96 3i1r n GLU 86 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i1r n GLY 87 N -0.02 0.61 0.58 8.31 0.00 -1.26 -4.99 105.19 108.43 3i1r n GLY 87 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3i1r n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1r n GLY 88 N 0.00 0.00 3.71 -0.02 0.00 -1.26 -4.50 105.19 103.12 3i1r n GLY 88 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i1r n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1r s VAL 89 N 0.00 4.23 -0.58 1.61 0.11 -1.26 -3.58 120.40 120.93 3i1r s VAL 89 Ca 0.00 1.60 -0.23 0.00 -2.93 0.00 0.00 61.98 60.42 3i1r s VAL 89 Cb 0.00 -4.02 0.06 0.00 -1.53 0.00 0.00 36.38 30.88 3i1r s VAL 89 CO 0.00 0.12 0.88 -0.69 -3.33 0.00 0.00 175.10 172.08 3i1r s VAL 90 N 1.12 4.47 0.61 2.04 1.01 -0.21 -4.91 120.40 124.53 3i1r s VAL 90 Ca 0.57 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 3i1r s VAL 90 Cb -0.27 -4.54 0.01 0.00 0.00 0.00 0.00 36.38 31.58 3i1r s VAL 90 CO 0.28 -1.17 0.94 -1.81 0.00 0.00 0.00 175.10 173.35 3i1r s ASP 91 N 3.11 5.54 0.36 3.32 1.01 -1.26 -1.97 116.67 126.78 3i1r s ASP 91 Ca 0.24 0.78 0.14 0.00 0.71 0.00 0.00 52.55 54.43 3i1r s ASP 91 Cb -0.16 -1.73 1.01 0.00 1.01 0.00 0.00 42.92 43.06 3i1r s ASP 91 CO 0.14 -1.13 1.73 -0.07 0.21 0.00 0.00 175.17 176.06 3i1r h LEU 92 N -0.27 0.55 0.00 1.23 3.38 -1.90 -3.38 115.31 114.93 3i1r h LEU 92 Ca -0.45 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3i1r h LEU 92 Cb 1.26 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3i1r h LEU 92 CO 0.61 0.06 0.00 -0.46 0.09 0.00 0.00 178.44 178.75 3i1r n ASN 93 N -4.79 0.00 0.00 -0.43 6.94 -1.26 -4.75 115.26 110.97 3i1r n ASN 93 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.83 3i1r n ASN 93 Cb 0.85 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.27 3i1r n ASN 93 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 3i1r n THR 94 N 0.00 0.00 -0.16 5.53 5.66 -1.26 -3.03 114.28 121.02 3i1r n THR 94 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 3i1r n THR 94 Cb 0.00 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 3i1r n THR 94 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3i1r h LEU 95 N 0.00 -0.25 -0.51 1.09 3.38 -1.88 0.53 115.31 117.67 3i1r h LEU 95 Ca 0.00 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.20 3i1r h LEU 95 Cb 0.00 0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 3i1r h LEU 95 CO 0.00 -0.09 -0.00 0.50 0.09 0.00 0.00 178.44 178.94 3i1r h LYS 96 N 0.10 0.11 0.00 1.13 3.64 -1.83 -0.39 116.57 119.33 3i1r h LYS 96 Ca 0.26 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3i1r h LYS 96 Cb 0.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3i1r h LYS 96 CO -0.44 0.07 -0.44 0.00 -2.27 0.00 0.00 179.45 176.37 3i1r h ALA 97 N 1.45 0.95 0.00 5.00 0.00 -1.63 -1.84 119.26 123.20 3i1r h ALA 97 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i1r h ALA 97 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i1r h ALA 97 CO -0.43 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3i1r n ALA 98 N -2.31 2.41 -0.97 0.00 0.00 0.18 -4.88 120.51 114.94 3i1r n ALA 98 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1r n ALA 98 Cb 0.55 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3i1r n ALA 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1r n ASN 99 N -0.47 -4.78 0.02 0.00 5.15 -0.69 -4.85 115.26 109.64 3i1r n ASN 99 Ca 0.00 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.11 3i1r n ASN 99 Cb 0.01 -2.67 0.42 0.00 -0.53 0.00 0.00 39.78 37.01 3i1r n ASN 99 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3i1r n ILE 100 N -2.23 0.11 -0.00 -1.44 -6.64 -0.96 -4.72 119.36 103.49 3i1r n ILE 100 Ca 0.00 -0.07 -0.01 0.00 -1.77 0.00 0.00 62.75 60.90 3i1r n ILE 100 Cb 0.34 -0.22 -0.00 0.00 -1.44 0.00 0.00 39.64 38.32 3i1r n ILE 100 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i1r n ILE 101 N -1.66 0.39 0.00 7.28 0.13 -1.25 -4.98 119.36 119.26 3i1r n ILE 101 Ca 0.06 0.22 0.00 0.00 -1.10 0.00 0.00 62.75 61.93 3i1r n ILE 101 Cb 0.36 -1.38 0.00 0.00 -0.84 0.00 0.00 39.64 37.78 3i1r n ILE 101 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i1r n GLY 102 N 2.76 2.79 0.33 4.50 0.00 -1.26 -4.92 105.19 109.39 3i1r n GLY 102 Ca -0.01 -0.97 0.26 0.00 0.00 0.00 0.00 46.02 45.29 3i1r n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i1r h ILE 103 N 0.00 0.13 0.00 -0.61 2.04 -2.00 -1.72 117.51 115.34 3i1r h ILE 103 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3i1r h ILE 103 Cb 0.00 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3i1r h ILE 103 CO 0.00 0.02 0.00 1.56 0.00 0.00 0.00 178.15 179.73 3i1r h GLN 104 N 0.12 0.00 -6.74 2.37 1.08 -1.96 -3.46 115.11 106.52 3i1r h GLN 104 Ca 0.76 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 57.38 3i1r h GLN 104 Cb 1.84 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 29.38 3i1r h GLN 104 CO -0.73 0.00 0.44 -0.89 -0.95 0.00 0.00 178.83 176.70 3i1r n ILE 105 N -2.93 2.18 -0.02 2.54 2.08 -0.65 -4.88 119.36 117.68 3i1r n ILE 105 Ca 0.03 -0.50 -0.01 0.00 0.56 0.00 0.00 62.75 62.83 3i1r n ILE 105 Cb 0.43 -1.49 -0.06 0.00 -0.75 0.00 0.00 39.64 37.77 3i1r n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i1r n GLU 106 N 0.39 1.81 -4.20 0.38 1.02 0.30 -5.02 120.64 115.34 3i1r n GLU 106 Ca 0.06 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 3i1r n GLU 106 Cb 0.37 -1.19 -0.10 0.00 -0.02 0.00 0.00 31.44 30.50 3i1r n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3i1r s PHE 107 N -2.32 1.08 -0.25 -0.32 0.08 -0.96 -5.05 117.98 110.23 3i1r s PHE 107 Ca -0.03 -0.75 -0.15 0.00 0.12 0.00 0.00 56.93 56.11 3i1r s PHE 107 Cb 0.03 -0.58 0.07 0.00 -0.57 0.00 0.00 43.02 41.98 3i1r s PHE 107 CO 0.31 -0.01 0.63 0.00 -0.10 0.00 0.00 175.22 176.04 3i1r s ALA 108 N -3.01 -1.67 0.13 5.36 0.00 -1.26 -1.16 121.76 120.15 3i1r s ALA 108 Ca 0.10 2.17 0.06 0.00 0.00 0.00 0.00 51.96 54.29 3i1r s ALA 108 Cb 0.01 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 3i1r s ALA 108 CO -0.01 -0.35 0.02 0.15 0.00 0.00 0.00 175.76 175.57 3i1r s LYS 109 N 1.43 2.55 -0.15 0.00 1.02 -0.58 -1.80 119.74 122.21 3i1r s LYS 109 Ca -0.09 -0.94 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 3i1r s LYS 109 Cb -0.06 -2.49 -0.06 0.00 -0.52 0.00 0.00 37.83 34.70 3i1r s LYS 109 CO -0.16 0.50 -0.06 0.28 -0.92 0.00 0.00 175.35 174.99 3i1r h VAL 110 N 2.59 0.20 0.00 3.17 2.07 -1.71 0.24 116.25 122.81 3i1r h VAL 110 Ca -0.47 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 65.81 3i1r h VAL 110 Cb 1.18 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3i1r h VAL 110 CO 0.60 0.07 0.00 -0.38 0.02 0.00 0.00 177.57 177.87 3i1r n ILE 111 N -4.61 -0.39 -2.83 4.57 -0.00 -1.26 -2.74 119.36 112.10 3i1r n ILE 111 Ca -0.10 0.00 -0.43 0.00 -0.00 0.00 0.00 62.75 62.21 3i1r n ILE 111 Cb 0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.93 3i1r n ILE 111 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 3i1r s LEU 112 N -2.12 4.65 -0.38 1.39 0.20 -1.26 -3.64 118.68 117.51 3i1r s LEU 112 Ca 0.00 -2.17 0.05 0.00 0.69 0.00 0.00 54.13 52.70 3i1r s LEU 112 Cb 0.00 -2.45 0.46 0.00 -0.43 0.00 0.00 46.19 43.77 3i1r s LEU 112 CO 0.00 -1.09 1.39 0.00 -0.29 0.00 0.00 176.35 176.36 3i1r n ALA 113 N 6.97 5.34 -0.48 5.97 0.00 -1.26 -4.93 120.51 132.12 3i1r n ALA 113 Ca 0.31 -3.72 0.05 0.00 0.00 0.00 0.00 53.44 50.07 3i1r n ALA 113 Cb 0.48 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 3i1r n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 114 N -0.76 -0.56 2.97 0.00 0.00 -1.26 -3.90 105.19 101.68 3i1r n GLY 114 Ca 0.48 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 3i1r n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1r n GLU 115 N -1.46 -1.94 -3.66 1.61 1.02 -1.26 -2.33 120.64 112.62 3i1r n GLU 115 Ca 0.00 1.84 -0.21 0.00 -0.02 0.00 0.00 57.16 58.77 3i1r n GLU 115 Cb 0.15 -5.57 -0.18 0.00 -0.02 0.00 0.00 31.44 25.83 3i1r n GLU 115 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i1r s VAL 116 N -2.74 -0.11 0.00 2.62 0.11 -1.26 -2.99 120.40 116.02 3i1r s VAL 116 Ca 0.15 0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 3i1r s VAL 116 Cb -0.04 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 3i1r s VAL 116 CO 0.77 0.10 0.00 0.41 -3.33 0.00 0.00 175.10 173.05 3i1r n THR 117 N 5.30 0.00 -1.41 5.04 -1.04 -1.26 -4.91 114.28 116.00 3i1r n THR 117 Ca -0.04 0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.65 3i1r n THR 117 Cb 0.50 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 3i1r n THR 117 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3i1r n THR 118 N -2.28 1.50 -2.51 12.58 -2.24 -1.26 -4.81 114.28 115.26 3i1r n THR 118 Ca 0.00 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 3i1r n THR 118 Cb 0.00 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 3i1r n THR 118 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3i1r s PRO 119 N -1.37 4.42 0.12 -0.78 0.02 -1.23 -4.79 135.00 131.40 3i1r s PRO 119 Ca 0.62 1.64 0.10 0.00 0.02 0.00 0.00 61.00 63.38 3i1r s PRO 119 Cb -0.65 -3.46 -0.04 0.00 0.02 0.00 0.00 34.50 30.37 3i1r s PRO 119 CO 0.59 -0.30 -0.24 0.08 -0.33 0.00 0.00 177.00 176.80 3i1r s VAL 120 N 1.58 2.03 -0.21 3.83 1.01 -1.26 -4.77 120.40 122.61 3i1r s VAL 120 Ca 0.55 -1.70 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 3i1r s VAL 120 Cb -0.25 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3i1r s VAL 120 CO 0.25 0.00 -0.10 0.28 0.00 0.00 0.00 175.10 175.54 3i1r s THR 121 N -1.17 2.86 -0.14 3.92 -1.32 -1.23 0.14 115.64 118.69 3i1r s THR 121 Ca 0.11 -0.72 -0.01 0.00 -1.21 0.00 0.00 61.69 59.87 3i1r s THR 121 Cb -0.10 -2.29 -0.01 0.00 -1.51 0.00 0.00 72.50 68.59 3i1r s THR 121 CO 0.06 0.43 -0.12 0.54 -2.21 0.00 0.00 174.62 173.32 3i1r s VAL 122 N 1.39 3.11 -0.13 5.08 0.11 0.31 -1.04 120.40 129.22 3i1r s VAL 122 Ca 0.05 -0.64 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 3i1r s VAL 122 Cb -0.14 -2.32 0.02 0.00 -1.53 0.00 0.00 36.38 32.41 3i1r s VAL 122 CO -0.07 0.52 -0.15 -0.60 -3.33 0.00 0.00 175.10 171.47 3i1r s ARG 123 N 0.44 2.29 0.00 1.54 3.52 -0.83 -1.85 118.95 124.06 3i1r s ARG 123 Ca -0.09 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 54.94 3i1r s ARG 123 Cb -0.16 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 3i1r s ARG 123 CO 0.05 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 3i1r n GLY 124 N 4.55 3.32 3.81 8.12 0.00 -1.07 -2.97 105.19 120.94 3i1r n GLY 124 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3i1r n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1r s LEU 125 N 0.00 4.34 0.58 0.99 1.43 -1.26 -4.92 118.68 119.84 3i1r s LEU 125 Ca 0.00 1.46 -0.15 0.00 -1.03 0.00 0.00 54.13 54.41 3i1r s LEU 125 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 3i1r s LEU 125 CO 0.00 0.02 1.04 -0.60 0.23 0.00 0.00 176.35 177.04 3i1r s ARG 126 N -2.00 3.45 -0.11 1.70 3.52 -0.75 -4.95 118.95 119.82 3i1r s ARG 126 Ca 0.44 1.11 -0.09 0.00 -0.13 0.00 0.00 55.73 57.06 3i1r s ARG 126 Cb -0.17 -2.06 0.03 0.00 -1.56 0.00 0.00 34.95 31.20 3i1r s ARG 126 CO 0.21 -0.70 0.28 0.54 -0.81 0.00 0.00 175.30 174.82 3i1r s VAL 127 N -2.56 -0.01 0.71 7.11 0.11 -1.26 -2.51 120.40 121.99 3i1r s VAL 127 Ca 0.62 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.57 3i1r s VAL 127 Cb -0.14 -0.40 0.02 0.00 -1.53 0.00 0.00 36.38 34.34 3i1r s VAL 127 CO 0.37 0.01 1.09 0.42 -3.33 0.00 0.00 175.10 173.66 3i1r s THR 128 N 0.33 3.47 0.04 5.04 -4.23 -1.26 -4.77 115.64 114.26 3i1r s THR 128 Ca -0.01 0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 60.95 3i1r s THR 128 Cb -0.03 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 3i1r s THR 128 CO -0.01 -0.55 1.16 0.11 -0.54 0.00 0.00 174.62 174.79 3i1r h LYS 129 N -0.61 -0.11 -0.99 3.99 1.57 -2.01 0.52 116.57 118.93 3i1r h LYS 129 Ca -0.45 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.55 3i1r h LYS 129 Cb 1.23 0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.38 3i1r h LYS 129 CO 0.54 -0.07 -0.22 0.41 -0.57 0.00 0.00 179.45 179.53 3i1r n GLY 130 N -1.11 -1.62 0.06 3.86 0.00 -1.26 -0.98 105.19 104.13 3i1r n GLY 130 Ca -0.01 1.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.93 3i1r n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1r h ALA 131 N 1.97 0.03 -1.07 4.61 0.00 -1.71 -1.09 119.26 122.01 3i1r h ALA 131 Ca 0.49 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.54 3i1r h ALA 131 Cb 0.77 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 3i1r h ALA 131 CO -1.01 -0.33 0.70 -0.09 0.00 0.00 0.00 179.25 178.52 3i1r h ARG 132 N -0.24 0.32 0.28 0.00 2.43 0.89 0.19 114.38 118.26 3i1r h ARG 132 Ca 0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3i1r h ARG 132 Cb 0.29 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3i1r h ARG 132 CO 0.00 0.21 -0.14 0.00 -1.51 0.00 0.00 179.97 178.54 3i1r h ALA 133 N 1.60 -0.38 0.63 2.80 0.00 -0.25 -2.48 119.26 121.17 3i1r h ALA 133 Ca 0.60 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 3i1r h ALA 133 Cb 1.65 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.59 3i1r h ALA 133 CO -0.27 -0.48 -0.30 0.00 0.00 0.00 0.00 179.25 178.19 3i1r h ALA 134 N -0.35 -0.84 -0.58 0.00 0.00 -0.33 -0.34 119.26 116.82 3i1r h ALA 134 Ca -0.04 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.79 3i1r h ALA 134 Cb 0.51 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 3i1r h ALA 134 CO 0.06 -0.97 -0.35 0.82 0.00 0.00 0.00 179.25 178.81 3i1r h ILE 135 N -0.85 0.16 -0.08 0.00 5.03 -0.74 -0.72 117.51 120.30 3i1r h ILE 135 Ca -0.09 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.65 3i1r h ILE 135 Cb 0.65 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.59 3i1r h ILE 135 CO 0.14 0.00 0.02 -0.33 -0.68 0.00 0.00 178.15 177.31 3i1r h GLU 136 N -0.18 0.13 0.00 2.37 5.08 -1.39 0.80 114.58 121.40 3i1r h GLU 136 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3i1r h GLU 136 Cb 0.55 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3i1r h GLU 136 CO -0.67 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 177.64 3i1r n ALA 137 N -2.23 1.04 -1.82 3.43 0.00 -0.14 -0.16 120.51 120.63 3i1r n ALA 137 Ca -0.06 -0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 3i1r n ALA 137 Cb 0.14 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.68 3i1r n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r n ALA 138 N -1.46 4.66 -0.61 0.00 0.00 -0.59 -4.94 120.51 117.57 3i1r n ALA 138 Ca 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 53.44 49.85 3i1r n ALA 138 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3i1r n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 139 N -0.87 1.70 3.75 0.00 0.00 0.78 -3.52 105.19 107.03 3i1r n GLY 139 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 3i1r n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1r s GLY 140 N -2.00 1.60 0.03 -0.02 0.00 0.24 -4.42 107.32 102.75 3i1r s GLY 140 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 44.46 3i1r s GLY 140 CO 0.00 0.23 -0.08 1.25 0.00 0.00 0.00 173.10 174.49 3i1r s LYS 141 N -5.10 0.57 -0.23 2.90 2.47 0.37 -4.28 119.74 116.45 3i1r s LYS 141 Ca 0.63 -0.62 -0.02 0.00 -1.56 0.00 0.00 55.97 54.41 3i1r s LYS 141 Cb -0.16 -0.45 0.07 0.00 -1.46 0.00 0.00 37.83 35.83 3i1r s LYS 141 CO 0.55 0.10 0.03 0.42 0.16 0.00 0.00 175.35 176.61 3i1r s ILE 142 N -0.97 0.79 0.15 5.43 1.01 -1.26 -0.53 121.20 125.82 3i1r s ILE 142 Ca -0.05 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.78 3i1r s ILE 142 Cb -0.08 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3i1r s ILE 142 CO 0.00 -0.30 0.06 -1.83 0.00 0.00 0.00 174.94 172.87 3i1r s GLU 143 N 1.72 2.65 0.00 2.79 -1.05 -0.77 -4.99 118.70 119.04 3i1r s GLU 143 Ca 0.00 -0.94 0.28 0.00 -0.15 0.00 0.00 54.97 54.16 3i1r s GLU 143 Cb -0.17 -2.52 0.95 0.00 -0.44 0.00 0.00 34.13 31.94 3i1r s GLU 143 CO -0.12 0.49 1.69 -0.85 0.95 0.00 0.00 175.26 177.42