#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n LEU 3 N 0.00 0.00 -1.65 0.55 0.00 -1.26 -1.57 117.00 113.07 3i1n n LEU 3 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 3i1n n LEU 3 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.43 3i1n n LEU 3 CO 0.00 0.00 0.22 -0.46 0.00 0.00 0.00 177.39 177.15 3i1n n ASN 4 N -0.98 0.09 0.00 1.96 2.04 -1.26 -4.76 115.26 112.35 3i1n n ASN 4 Ca 0.12 -2.03 0.00 0.00 -0.44 0.00 0.00 54.58 52.23 3i1n n ASN 4 Cb 0.05 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.31 3i1n n ASN 4 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 3i1n n THR 5 N -0.07 0.12 -3.85 5.53 -2.24 -0.61 -5.03 114.28 108.14 3i1n n THR 5 Ca -0.09 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.16 3i1n n THR 5 Cb 0.91 1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 70.41 3i1n n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3i1n s LEU 6 N -0.12 4.07 0.12 3.22 0.05 -1.17 -5.05 118.68 119.81 3i1n s LEU 6 Ca 0.00 0.19 0.06 0.00 0.05 0.00 0.00 54.13 54.43 3i1n s LEU 6 Cb 0.00 -2.04 -0.04 0.00 -2.05 0.00 0.00 46.19 42.06 3i1n s LEU 6 CO 0.00 0.19 -0.14 -0.94 -0.55 0.00 0.00 176.35 174.91 3i1n s SER 7 N 0.26 2.05 0.80 1.48 1.04 -1.26 -5.09 113.70 112.98 3i1n s SER 7 Ca 0.07 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.57 3i1n s SER 7 Cb -0.12 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.00 3i1n s SER 7 CO -0.01 -0.13 1.09 -2.16 0.98 0.00 0.00 173.24 173.01 3i1n s PRO 8 N -2.67 2.08 0.22 4.02 0.04 -1.26 -4.95 135.00 132.47 3i1n s PRO 8 Ca 0.09 0.72 -0.32 0.00 0.04 0.00 0.00 61.00 61.53 3i1n s PRO 8 Cb -0.05 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.44 3i1n s PRO 8 CO 0.03 -1.64 1.38 0.00 0.04 0.00 0.00 177.00 176.81 3i1n n ALA 9 N -3.46 0.74 -1.66 8.56 0.00 -1.26 -4.86 120.51 118.57 3i1n n ALA 9 Ca 0.07 0.43 -0.45 0.00 0.00 0.00 0.00 53.44 53.49 3i1n n ALA 9 Cb 0.56 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 3i1n n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1n n GLU 10 N 2.12 1.94 -0.99 0.00 4.07 -1.26 -1.30 120.64 125.22 3i1n n GLU 10 Ca 0.13 0.69 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 3i1n n GLU 10 Cb 0.30 -2.33 0.00 0.00 -0.06 0.00 0.00 31.44 29.35 3i1n n GLU 10 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i1n n GLY 11 N 2.15 0.27 0.00 8.31 0.00 -1.26 -4.90 105.19 109.75 3i1n n GLY 11 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i1n n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1n n SER 12 N -0.47 0.00 -3.50 1.61 2.88 -0.42 -4.41 113.62 109.32 3i1n n SER 12 Ca 0.00 0.36 -0.38 0.00 -1.33 0.00 0.00 58.87 57.52 3i1n n SER 12 Cb 0.23 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.41 3i1n n SER 12 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i1n n LYS 13 N -1.29 2.48 -0.93 -1.46 4.76 -1.26 -4.97 118.16 115.49 3i1n n LYS 13 Ca 0.00 -2.06 -0.33 0.00 -2.87 0.00 0.00 58.31 53.04 3i1n n LYS 13 Cb 0.00 -2.91 0.12 0.00 -1.84 0.00 0.00 35.03 30.40 3i1n n LYS 13 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3i1n n LYS 14 N 5.45 -0.11 0.00 1.97 4.81 -1.26 -4.98 118.16 124.03 3i1n n LYS 14 Ca 0.55 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3i1n n LYS 14 Cb 0.31 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.35 3i1n n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1n n ALA 15 N -3.38 0.00 0.00 3.14 0.00 -1.26 -5.07 120.51 113.94 3i1n n ALA 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3i1n n ALA 15 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3i1n n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 16 N 0.00 3.36 3.74 0.00 0.00 -1.26 -5.12 105.19 105.91 3i1n n GLY 16 Ca 0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3i1n n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s LYS 17 N -2.13 4.26 -0.14 1.61 1.02 -1.26 -4.92 119.74 118.18 3i1n s LYS 17 Ca 0.00 2.29 -0.10 0.00 0.02 0.00 0.00 55.97 58.18 3i1n s LYS 17 Cb 0.00 -3.13 -0.06 0.00 -0.52 0.00 0.00 37.83 34.12 3i1n s LYS 17 CO 0.00 -0.46 -0.23 0.54 -0.92 0.00 0.00 175.35 174.28 3i1n n ARG 18 N 2.80 0.37 -0.57 1.68 1.74 -1.26 -5.11 116.66 116.30 3i1n n ARG 18 Ca 0.09 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 3i1n n ARG 18 Cb 0.40 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3i1n n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3i1n n LEU 19 N -3.95 -0.76 -1.47 0.55 0.00 -1.26 -4.85 117.00 105.27 3i1n n LEU 19 Ca -0.25 1.05 -0.11 0.00 0.00 0.00 0.00 56.01 56.70 3i1n n LEU 19 Cb 0.58 -0.50 0.01 0.00 0.00 0.00 0.00 43.42 43.51 3i1n n LEU 19 CO 0.07 -0.22 -0.06 0.61 0.00 0.00 0.00 177.39 177.79 3i1n n GLY 20 N -1.74 0.01 1.87 -3.96 0.00 0.19 -4.95 105.19 96.61 3i1n n GLY 20 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 3i1n n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1n n ARG 21 N -2.25 1.81 0.00 1.61 3.00 -1.25 -4.67 116.66 114.91 3i1n n ARG 21 Ca -0.09 -3.30 0.00 0.00 -0.00 0.00 0.00 57.85 54.46 3i1n n ARG 21 Cb 0.58 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.61 3i1n n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1n n GLY 22 N -0.48 1.82 0.36 5.14 0.00 -1.26 -4.69 105.19 106.08 3i1n n GLY 22 Ca 0.19 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 3i1n n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i1n h ILE 23 N 0.00 0.03 -1.15 -0.61 2.04 -1.91 -3.22 117.51 112.69 3i1n h ILE 23 Ca 0.00 -0.36 0.32 0.00 1.00 0.00 0.00 64.86 65.83 3i1n h ILE 23 Cb 0.00 0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 36.05 3i1n h ILE 23 CO 0.00 0.00 0.79 1.23 0.00 0.00 0.00 178.15 180.17 3i1n h GLY 24 N -1.22 0.56 0.46 5.37 0.00 -1.99 -0.39 103.07 105.86 3i1n h GLY 24 Ca -0.09 -0.09 0.18 0.00 0.00 0.00 0.00 47.33 47.33 3i1n h GLY 24 CO 0.15 -0.08 0.60 1.48 0.00 0.00 0.00 176.54 178.68 3i1n h SER 25 N 0.16 0.00 0.00 0.19 4.64 -1.83 -3.46 113.55 113.24 3i1n h SER 25 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3i1n h SER 25 Cb 2.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 3i1n h SER 25 CO -0.15 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 3i1n n GLY 26 N -1.57 0.98 3.47 -0.77 0.00 -0.16 -4.93 105.19 102.22 3i1n n GLY 26 Ca 0.12 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 3i1n n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i1n s LEU 27 N 0.00 4.91 0.04 0.99 0.05 -1.26 -4.92 118.68 118.48 3i1n s LEU 27 Ca 0.00 -2.39 0.01 0.00 0.05 0.00 0.00 54.13 51.80 3i1n s LEU 27 Cb 0.00 -2.42 -0.02 0.00 -2.05 0.00 0.00 46.19 41.70 3i1n s LEU 27 CO 0.00 -0.97 -0.05 -0.83 -0.55 0.00 0.00 176.35 173.95 3i1n s GLY 28 N 3.43 0.40 0.45 -3.48 0.00 -1.25 -0.64 107.32 106.23 3i1n s GLY 28 Ca 0.38 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.35 3i1n s GLY 28 CO -0.05 -0.82 0.00 1.17 0.00 0.00 0.00 173.10 173.40 3i1n n LYS 29 N 1.35 -3.66 0.00 2.90 4.81 -1.26 -4.38 118.16 117.92 3i1n n LYS 29 Ca -0.22 2.76 0.00 0.00 -0.87 0.00 0.00 58.31 59.97 3i1n n LYS 29 Cb 0.56 -3.31 0.00 0.00 0.02 0.00 0.00 35.03 32.30 3i1n n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i1n n THR 30 N -1.35 0.00 -0.94 3.15 -2.24 -1.26 -4.28 114.28 107.36 3i1n n THR 30 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i1n n THR 30 Cb 0.11 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3i1n n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1n n GLY 31 N 0.00 0.82 3.03 3.38 0.00 -1.26 -3.44 105.19 107.71 3i1n n GLY 31 Ca 0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 3i1n n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1n n GLY 32 N -1.77 -0.16 0.00 -0.02 0.00 -1.26 -4.88 105.19 97.09 3i1n n GLY 32 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3i1n n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1n n ARG 33 N -3.79 2.44 0.00 1.61 1.85 -1.22 -5.11 116.66 112.44 3i1n n ARG 33 Ca -0.03 -1.35 0.00 0.00 -1.00 0.00 0.00 57.85 55.47 3i1n n ARG 33 Cb 0.56 -0.99 0.00 0.00 -1.05 0.00 0.00 32.46 30.98 3i1n n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i1n n GLY 34 N -0.43 0.85 3.05 2.89 0.00 -1.26 -4.43 105.19 105.86 3i1n n GLY 34 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 3i1n n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1n s HIS 35 N 0.00 3.02 0.04 1.61 3.76 -1.26 -4.84 115.29 117.61 3i1n s HIS 35 Ca 0.00 -2.10 0.00 0.00 -0.15 0.00 0.00 55.06 52.81 3i1n s HIS 35 Cb 0.00 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.83 3i1n s HIS 35 CO 0.00 -0.84 0.00 1.63 -0.85 0.00 0.00 174.74 174.68 3i1n n LYS 36 N 4.51 -0.32 -0.00 1.40 5.02 -1.26 -5.03 118.16 122.48 3i1n n LYS 36 Ca -0.15 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3i1n n LYS 36 Cb 0.44 -0.39 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 3i1n n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1n n GLY 37 N -0.47 -2.84 0.65 0.72 0.00 -1.26 -4.24 105.19 97.75 3i1n n GLY 37 Ca 0.00 -1.27 0.50 0.00 0.00 0.00 0.00 46.02 45.25 3i1n n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1n n GLN 38 N -1.37 -0.01 0.13 1.61 7.27 -1.26 -1.11 117.38 122.64 3i1n n GLN 38 Ca 0.00 1.07 -0.01 0.00 0.07 0.00 0.00 57.00 58.13 3i1n n GLN 38 Cb 0.00 -2.41 0.12 0.00 2.41 0.00 0.00 30.24 30.36 3i1n n GLN 38 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3i1n h LYS 39 N 0.00 0.00 0.00 3.69 1.57 -1.81 -3.29 116.57 116.73 3i1n h LYS 39 Ca 0.90 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.68 3i1n h LYS 39 Cb 3.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.83 3i1n h LYS 39 CO -0.08 0.65 0.00 -1.13 -0.57 0.00 0.00 179.45 178.32 3i1n n SER 40 N -3.56 -0.27 -0.33 0.86 3.41 -0.27 -4.80 113.62 108.67 3i1n n SER 40 Ca -0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 3i1n n SER 40 Cb 0.69 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3i1n n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i1n n ARG 41 N -0.66 0.00 -1.69 4.33 5.12 -1.26 -4.55 116.66 117.95 3i1n n ARG 41 Ca 0.00 0.31 -0.43 0.00 -1.93 0.00 0.00 57.85 55.80 3i1n n ARG 41 Cb 0.00 -0.03 -0.03 0.00 -1.16 0.00 0.00 32.46 31.24 3i1n n ARG 41 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i1n s SER 42 N 0.00 5.92 -0.16 0.55 0.15 -1.26 -2.91 113.70 115.99 3i1n s SER 42 Ca 0.00 2.14 -0.03 0.00 0.70 0.00 0.00 55.95 58.76 3i1n s SER 42 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3i1n s SER 42 CO 0.00 -1.56 0.19 0.61 1.20 0.00 0.00 173.24 173.68 3i1n n GLY 43 N 5.20 -0.75 3.64 9.45 0.00 -1.26 -5.08 105.19 116.38 3i1n n GLY 43 Ca 0.25 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 3i1n n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1n s GLY 44 N -1.79 -0.55 0.00 -0.02 0.00 -1.14 -5.12 107.32 98.70 3i1n s GLY 44 Ca 0.04 2.53 0.00 0.00 0.00 0.00 0.00 44.72 47.30 3i1n s GLY 44 CO 0.22 2.46 0.00 0.61 0.00 0.00 0.00 173.10 176.39 3i1n n GLY 45 N 4.26 -0.62 2.88 0.20 0.00 -1.24 -4.56 105.19 106.10 3i1n n GLY 45 Ca -0.20 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 3i1n n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1n s VAL 46 N -3.00 0.00 0.51 1.61 -7.23 -1.26 -5.01 120.40 106.02 3i1n s VAL 46 Ca 0.00 -0.03 -0.20 0.00 -1.81 0.00 0.00 61.98 59.93 3i1n s VAL 46 Cb 0.00 -0.02 -0.09 0.00 0.56 0.00 0.00 36.38 36.83 3i1n s VAL 46 CO 0.00 -0.02 0.74 -2.11 -0.31 0.00 0.00 175.10 173.40 3i1n n ARG 47 N 3.02 0.81 -1.66 4.82 1.85 -1.26 -4.84 116.66 119.40 3i1n n ARG 47 Ca -0.12 0.30 -0.44 0.00 -1.00 0.00 0.00 57.85 56.59 3i1n n ARG 47 Cb 0.60 -1.85 -0.02 0.00 -1.05 0.00 0.00 32.46 30.14 3i1n n ARG 47 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3i1n n ARG 48 N -0.09 1.89 0.00 2.89 3.00 -1.26 -1.54 116.66 121.56 3i1n n ARG 48 Ca 0.11 0.67 0.00 0.00 -0.01 0.00 0.00 57.85 58.62 3i1n n ARG 48 Cb 0.44 -2.24 0.00 0.00 0.00 0.00 0.00 32.46 30.65 3i1n n ARG 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1n n GLY 49 N 1.56 2.51 3.55 -0.13 0.00 -1.26 -5.01 105.19 106.41 3i1n n GLY 49 Ca 0.09 -0.28 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 3i1n n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i1n n PHE 50 N 0.00 0.84 -2.92 1.61 -0.00 -0.59 -4.80 117.46 111.60 3i1n n PHE 50 Ca 0.00 0.74 -0.13 0.00 -0.00 0.00 0.00 57.45 58.06 3i1n n PHE 50 Cb 0.00 -2.18 0.02 0.00 -0.00 0.00 0.00 39.48 37.33 3i1n n PHE 50 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 3i1n n GLU 51 N 0.74 1.05 0.00 -4.13 0.28 -1.26 -4.95 120.64 112.36 3i1n n GLU 51 Ca 0.11 -2.89 0.00 0.00 -0.16 0.00 0.00 57.16 54.22 3i1n n GLU 51 Cb 0.31 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 31.91 3i1n n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i1n n GLY 52 N 0.12 -0.87 0.15 -1.84 0.00 -1.26 -3.70 105.19 97.78 3i1n n GLY 52 Ca 0.14 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 45.12 3i1n n GLY 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i1n h GLY 53 N 0.00 0.00 -2.86 -0.02 0.00 -2.02 -3.47 103.07 94.70 3i1n h GLY 53 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3i1n h GLY 53 CO 0.00 0.00 -0.93 -0.18 0.00 0.00 0.00 176.54 175.43 3i1n n GLN 54 N -2.42 0.08 -2.32 4.80 7.27 -1.24 -4.81 117.38 118.73 3i1n n GLN 54 Ca 0.03 0.05 -0.42 0.00 0.07 0.00 0.00 57.00 56.73 3i1n n GLN 54 Cb 0.32 -1.47 -0.03 0.00 2.41 0.00 0.00 30.24 31.47 3i1n n GLN 54 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 3i1n s MET 55 N -2.37 4.34 0.47 3.69 -2.45 -1.26 -4.69 119.30 117.02 3i1n s MET 55 Ca 0.56 1.86 -0.23 0.00 -1.25 0.00 0.00 55.69 56.64 3i1n s MET 55 Cb -0.31 -3.48 -0.07 0.00 1.25 0.00 0.00 34.83 32.22 3i1n s MET 55 CO 0.67 -0.45 1.16 -2.14 1.05 0.00 0.00 175.02 175.31 3i1n s PRO 56 N 1.88 3.72 0.27 4.11 0.02 -1.26 -4.67 135.00 139.07 3i1n s PRO 56 Ca 0.61 1.76 -0.03 0.00 0.02 0.00 0.00 61.00 63.35 3i1n s PRO 56 Cb -0.30 -2.37 0.56 0.00 0.02 0.00 0.00 34.50 32.41 3i1n s PRO 56 CO 0.26 -0.58 1.63 1.25 -0.33 0.00 0.00 177.00 179.24 3i1n h LEU 57 N 1.97 -0.27 -0.42 -5.54 5.85 -1.93 0.45 115.31 115.43 3i1n h LEU 57 Ca -0.49 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3i1n h LEU 57 Cb 1.25 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.62 3i1n h LEU 57 CO 0.60 -0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.50 3i1n n TYR 58 N -5.33 0.00 0.00 1.25 0.18 -1.26 -2.57 117.16 109.43 3i1n n TYR 58 Ca 0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.95 3i1n n TYR 58 Cb 0.57 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 3i1n n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3i1n n ARG 59 N -0.17 0.27 -0.01 -3.48 5.12 0.15 -4.75 116.66 113.78 3i1n n ARG 59 Ca 0.00 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.99 3i1n n ARG 59 Cb 0.04 -0.69 0.46 0.00 -1.16 0.00 0.00 32.46 31.11 3i1n n ARG 59 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i1n h ARG 60 N 0.00 0.46 -5.95 5.56 3.08 -1.09 -3.42 114.38 113.02 3i1n h ARG 60 Ca 0.00 -0.03 -0.62 0.00 0.07 0.00 0.00 59.98 59.40 3i1n h ARG 60 Cb 0.38 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 3i1n h ARG 60 CO 0.00 0.31 -0.30 -0.51 -1.07 0.00 0.00 179.97 178.40 3i1n s LEU 61 N -9.42 4.41 0.44 3.04 1.02 -1.06 -5.08 118.68 112.03 3i1n s LEU 61 Ca -0.08 0.75 -0.16 0.00 0.02 0.00 0.00 54.13 54.67 3i1n s LEU 61 Cb 0.18 -2.61 -0.08 0.00 0.02 0.00 0.00 46.19 43.70 3i1n s LEU 61 CO 0.73 0.29 0.89 -2.16 0.02 0.00 0.00 176.35 176.12 3i1n s PRO 62 N -1.42 3.97 0.84 1.29 0.04 -1.26 -4.90 135.00 133.57 3i1n s PRO 62 Ca 0.25 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.00 3i1n s PRO 62 Cb -0.14 -2.25 0.10 0.00 0.04 0.00 0.00 34.50 32.24 3i1n s PRO 62 CO 0.13 -0.10 1.09 0.15 0.04 0.00 0.00 177.00 178.32 3i1n s LYS 63 N -3.67 1.68 0.00 4.56 1.02 -1.26 -4.99 119.74 117.08 3i1n s LYS 63 Ca 0.57 0.92 0.00 0.00 0.02 0.00 0.00 55.97 57.48 3i1n s LYS 63 Cb -0.10 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 3i1n s LYS 63 CO 0.25 -1.98 0.07 1.97 -0.92 0.00 0.00 175.35 174.75 3i1n n PHE 64 N -3.72 0.00 0.00 3.18 1.16 -1.26 -5.15 117.46 111.67 3i1n n PHE 64 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 3i1n n PHE 64 Cb 0.55 0.06 0.00 0.00 -1.61 0.00 0.00 39.48 38.48 3i1n n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i1n n GLY 65 N 0.00 -1.41 0.00 4.97 0.00 -1.26 -5.10 105.19 102.39 3i1n n GLY 65 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3i1n n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i1n n PHE 66 N 0.00 0.00 -3.35 1.61 7.35 -1.26 -5.16 117.46 116.65 3i1n n PHE 66 Ca 0.00 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 3i1n n PHE 66 Cb 0.00 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.78 3i1n n PHE 66 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3i1n s THR 67 N 0.00 4.94 -0.20 -2.13 2.01 -1.26 -5.06 115.64 113.94 3i1n s THR 67 Ca 0.00 0.39 -0.18 0.00 0.31 0.00 0.00 61.69 62.21 3i1n s THR 67 Cb 0.00 -3.65 -0.14 0.00 0.01 0.00 0.00 72.50 68.72 3i1n s THR 67 CO 0.00 -0.17 0.04 -0.24 -0.69 0.00 0.00 174.62 173.56 3i1n n SER 68 N -0.43 1.86 0.00 3.53 2.88 -1.26 -4.98 113.62 115.23 3i1n n SER 68 Ca 0.00 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 3i1n n SER 68 Cb 0.53 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 3i1n n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i1n n ARG 69 N -4.46 0.00 -0.05 -1.46 1.74 -1.26 -4.49 116.66 106.68 3i1n n ARG 69 Ca -0.28 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.73 3i1n n ARG 69 Cb 0.60 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.16 3i1n n ARG 69 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3i1n h LYS 70 N 0.00 0.67 -0.69 5.56 3.64 -1.97 -2.48 116.57 121.31 3i1n h LYS 70 Ca 0.00 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.14 3i1n h LYS 70 Cb 0.00 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3i1n h LYS 70 CO 0.00 0.86 0.46 0.00 -2.27 0.00 0.00 179.45 178.50 3i1n h ALA 71 N 1.13 1.63 0.00 5.00 0.00 -1.93 -1.80 119.26 123.29 3i1n h ALA 71 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3i1n h ALA 71 Cb 0.74 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i1n h ALA 71 CO 0.06 0.29 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 3i1n h ALA 72 N 1.60 1.52 -0.54 0.00 0.00 -1.79 -2.71 119.26 117.33 3i1n h ALA 72 Ca 0.28 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.79 3i1n h ALA 72 Cb 0.10 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.68 3i1n h ALA 72 CO -0.08 0.09 -0.07 0.44 0.00 0.00 0.00 179.25 179.63 3i1n n ILE 73 N -3.93 2.73 -3.98 0.00 -5.35 -0.69 -4.91 119.36 103.23 3i1n n ILE 73 Ca -0.02 -3.03 -0.23 0.00 -0.27 0.00 0.00 62.75 59.20 3i1n n ILE 73 Cb 0.17 -0.59 -0.17 0.00 -1.74 0.00 0.00 39.64 37.31 3i1n n ILE 73 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i1n s THR 74 N -3.72 0.60 0.35 7.28 -4.23 -1.02 -1.96 115.64 112.93 3i1n s THR 74 Ca 0.49 -0.07 0.09 0.00 -1.18 0.00 0.00 61.69 61.02 3i1n s THR 74 Cb 0.43 -0.67 -0.06 0.00 1.34 0.00 0.00 72.50 73.54 3i1n s THR 74 CO 0.01 0.27 -0.01 0.00 -0.54 0.00 0.00 174.62 174.35 3i1n s ALA 75 N 1.48 3.15 0.10 3.99 0.00 0.02 -4.94 121.76 125.56 3i1n s ALA 75 Ca -0.02 -2.04 0.05 0.00 0.00 0.00 0.00 51.96 49.96 3i1n s ALA 75 Cb -0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3i1n s ALA 75 CO -0.03 0.04 0.01 -1.83 0.00 0.00 0.00 175.76 173.95 3i1n s GLU 76 N -3.70 2.57 -0.42 0.00 -1.05 -1.26 -1.43 118.70 113.41 3i1n s GLU 76 Ca 0.35 -0.86 0.02 0.00 -0.15 0.00 0.00 54.97 54.32 3i1n s GLU 76 Cb 0.02 -2.53 0.13 0.00 -0.44 0.00 0.00 34.13 31.30 3i1n s GLU 76 CO 0.19 0.53 0.22 0.42 0.95 0.00 0.00 175.26 177.56 3i1n s ILE 77 N -1.39 1.34 0.51 1.83 1.09 0.11 -4.90 121.20 119.79 3i1n s ILE 77 Ca 0.26 -2.40 -0.19 0.00 -1.10 0.00 0.00 60.65 57.22 3i1n s ILE 77 Cb -0.11 -1.95 -0.11 0.00 -1.06 0.00 0.00 42.46 39.22 3i1n s ILE 77 CO 0.19 -0.86 0.42 0.54 -0.10 0.00 0.00 174.94 175.12 3i1n n ARG 78 N 3.72 0.44 0.30 2.79 1.74 -1.17 -4.25 116.66 120.23 3i1n n ARG 78 Ca 0.07 0.17 0.19 0.00 -0.77 0.00 0.00 57.85 57.51 3i1n n ARG 78 Cb 0.35 -1.51 0.96 0.00 -1.02 0.00 0.00 32.46 31.24 3i1n n ARG 78 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i1n h LEU 79 N 0.39 0.00 0.15 0.55 3.38 -1.72 -2.79 115.31 115.27 3i1n h LEU 79 Ca -0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3i1n h LEU 79 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3i1n h LEU 79 CO 0.48 0.03 -0.07 0.77 0.09 0.00 0.00 178.44 179.73 3i1n h SER 80 N 0.00 -0.17 -1.57 -0.43 4.64 -1.58 -3.37 113.55 111.08 3i1n h SER 80 Ca -0.00 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.15 3i1n h SER 80 Cb 0.20 0.04 0.07 0.00 -0.31 0.00 0.00 62.40 62.41 3i1n h SER 80 CO 0.00 -0.06 -0.06 0.47 -0.87 0.00 0.00 176.83 176.32 3i1n n ASP 81 N -5.14 -2.61 0.00 4.97 8.00 -1.05 -3.83 116.55 116.88 3i1n n ASP 81 Ca -0.09 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.13 3i1n n ASP 81 Cb 0.13 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3i1n n ASP 81 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3i1n n LEU 82 N 0.00 0.00 0.00 0.64 0.00 -1.26 -4.39 117.00 111.99 3i1n n LEU 82 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.07 3i1n n LEU 82 Cb 0.20 0.00 0.09 0.00 0.00 0.00 0.00 43.42 43.70 3i1n n LEU 82 CO 0.13 0.00 0.50 0.00 0.00 0.00 0.00 177.39 178.02 3i1n n ALA 83 N 0.00 1.30 -1.34 1.96 0.00 -1.25 -2.84 120.51 118.35 3i1n n ALA 83 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.45 3i1n n ALA 83 Cb 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.43 3i1n n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i1n n LYS 84 N -1.35 0.68 0.22 0.00 2.85 -1.26 -4.65 118.16 114.65 3i1n n LYS 84 Ca 0.01 -1.38 0.13 0.00 -1.05 0.00 0.00 58.31 56.03 3i1n n LYS 84 Cb 0.03 -0.82 0.32 0.00 -0.65 0.00 0.00 35.03 33.91 3i1n n LYS 84 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 3i1n h VAL 85 N 3.60 0.00 -4.44 0.58 3.04 -1.88 -3.48 116.25 113.67 3i1n h VAL 85 Ca 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 3i1n h VAL 85 Cb 1.12 1.82 -0.03 0.00 -2.01 0.00 0.00 31.29 32.19 3i1n h VAL 85 CO 0.00 0.00 -0.80 1.21 -1.01 0.00 0.00 177.57 176.97 3i1n n GLU 86 N -3.02 -2.63 0.00 4.17 2.13 -1.26 -4.77 120.64 115.26 3i1n n GLU 86 Ca 0.03 2.21 0.00 0.00 0.66 0.00 0.00 57.16 60.07 3i1n n GLU 86 Cb 0.46 -3.96 0.00 0.00 0.27 0.00 0.00 31.44 28.21 3i1n n GLU 86 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i1n n GLY 87 N 0.67 0.84 0.11 8.31 0.00 -1.26 -4.98 105.19 108.88 3i1n n GLY 87 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3i1n n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1n n GLY 88 N 0.00 0.00 3.72 -0.02 0.00 -1.26 -4.48 105.19 103.15 3i1n n GLY 88 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i1n n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s VAL 89 N 0.00 4.24 -0.61 1.61 0.11 -1.26 -3.62 120.40 120.87 3i1n s VAL 89 Ca 0.00 1.70 -0.22 0.00 -2.93 0.00 0.00 61.98 60.53 3i1n s VAL 89 Cb 0.00 -4.09 0.07 0.00 -1.53 0.00 0.00 36.38 30.84 3i1n s VAL 89 CO 0.00 0.18 0.87 -0.69 -3.33 0.00 0.00 175.10 172.13 3i1n s VAL 90 N 0.64 4.50 0.61 2.04 1.01 0.73 -4.92 120.40 125.01 3i1n s VAL 90 Ca 0.54 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 3i1n s VAL 90 Cb -0.27 -4.58 -0.00 0.00 0.00 0.00 0.00 36.38 31.53 3i1n s VAL 90 CO 0.30 -1.26 0.95 -1.81 0.00 0.00 0.00 175.10 173.28 3i1n s ASP 91 N 3.43 5.72 0.54 3.32 1.01 -1.26 -1.45 116.67 127.99 3i1n s ASP 91 Ca 0.20 0.93 0.34 0.00 0.71 0.00 0.00 52.55 54.72 3i1n s ASP 91 Cb -0.18 -1.92 1.51 0.00 1.01 0.00 0.00 42.92 43.34 3i1n s ASP 91 CO 0.11 -1.04 1.86 -0.07 0.21 0.00 0.00 175.17 176.23 3i1n h LEU 92 N -0.26 0.00 0.00 1.23 3.38 -1.91 -3.38 115.31 114.38 3i1n h LEU 92 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3i1n h LEU 92 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3i1n h LEU 92 CO 0.62 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.69 3i1n n ASN 93 N -4.22 0.00 0.00 -0.43 2.04 -1.26 -4.85 115.26 106.54 3i1n n ASN 93 Ca 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.35 3i1n n ASN 93 Cb 1.07 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.32 3i1n n ASN 93 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89 3i1n n THR 94 N 0.00 0.00 -0.31 5.53 5.66 -1.26 -3.36 114.28 120.54 3i1n n THR 94 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 3i1n n THR 94 Cb 0.00 0.00 0.30 0.00 -1.55 0.00 0.00 70.33 69.08 3i1n n THR 94 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3i1n h LEU 95 N 0.00 -0.16 -0.51 1.09 3.38 -1.90 0.35 115.31 117.56 3i1n h LEU 95 Ca 0.00 0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.28 3i1n h LEU 95 Cb 0.00 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 3i1n h LEU 95 CO 0.00 -0.24 0.13 0.50 0.09 0.00 0.00 178.44 178.92 3i1n h LYS 96 N 0.12 0.27 0.00 1.13 3.64 -1.87 -1.66 116.57 118.20 3i1n h LYS 96 Ca 0.58 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.88 3i1n h LYS 96 Cb 1.20 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3i1n h LYS 96 CO -0.75 0.18 -0.28 0.00 -2.27 0.00 0.00 179.45 176.33 3i1n h ALA 97 N 1.38 0.92 -0.22 5.00 0.00 -0.92 -2.44 119.26 122.98 3i1n h ALA 97 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1n h ALA 97 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i1n h ALA 97 CO -0.31 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3i1n n ALA 98 N -2.21 2.47 -1.24 0.00 0.00 0.89 -4.90 120.51 115.52 3i1n n ALA 98 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 52.97 3i1n n ALA 98 Cb 0.52 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 3i1n n ALA 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1n n ASN 99 N 0.15 -4.62 0.06 0.00 5.15 -0.92 -4.87 115.26 110.21 3i1n n ASN 99 Ca 0.08 0.21 0.12 0.00 -0.60 0.00 0.00 54.58 54.39 3i1n n ASN 99 Cb 0.20 -2.87 0.19 0.00 -0.53 0.00 0.00 39.78 36.77 3i1n n ASN 99 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3i1n n ILE 100 N -2.55 0.32 0.00 -1.44 -6.64 -0.75 -4.84 119.36 103.46 3i1n n ILE 100 Ca -0.08 -0.25 0.00 0.00 -1.77 0.00 0.00 62.75 60.65 3i1n n ILE 100 Cb 0.38 -0.11 0.00 0.00 -1.44 0.00 0.00 39.64 38.46 3i1n n ILE 100 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 3i1n n ILE 101 N -2.05 0.00 0.00 7.28 -0.00 -1.23 -4.99 119.36 118.37 3i1n n ILE 101 Ca 0.04 0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.90 3i1n n ILE 101 Cb 0.43 -0.98 0.00 0.00 -0.00 0.00 0.00 39.64 39.09 3i1n n ILE 101 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3i1n n GLY 102 N 3.03 3.49 0.28 7.39 0.00 -1.26 -4.95 105.19 113.18 3i1n n GLY 102 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.37 3i1n n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i1n h ILE 103 N 0.00 0.90 0.00 -0.61 2.04 -2.01 -0.62 117.51 117.20 3i1n h ILE 103 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3i1n h ILE 103 Cb 0.00 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3i1n h ILE 103 CO 0.00 0.13 0.00 1.56 0.00 0.00 0.00 178.15 179.84 3i1n h GLN 104 N 0.70 0.00 -6.73 2.37 1.08 -1.98 -3.46 115.11 107.10 3i1n h GLN 104 Ca 0.36 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 57.04 3i1n h GLN 104 Cb 0.34 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 27.83 3i1n h GLN 104 CO -0.24 0.00 0.86 0.42 -0.95 0.00 0.00 178.83 178.92 3i1n s ILE 105 N -3.37 2.34 -0.12 2.54 -1.09 -0.24 -4.92 121.20 116.33 3i1n s ILE 105 Ca 0.03 0.27 0.15 0.00 -2.23 0.00 0.00 60.65 58.87 3i1n s ILE 105 Cb 0.09 -3.18 -0.21 0.00 -1.58 0.00 0.00 42.46 37.59 3i1n s ILE 105 CO 0.38 0.04 0.13 -0.62 -1.23 0.00 0.00 174.94 173.64 3i1n n GLU 106 N 2.81 1.24 -4.07 2.79 1.02 -0.83 -5.03 120.64 118.57 3i1n n GLU 106 Ca 0.10 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.07 3i1n n GLU 106 Cb 0.38 -1.40 -0.12 0.00 -0.02 0.00 0.00 31.44 30.28 3i1n n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3i1n s PHE 107 N -2.56 0.60 -0.02 -0.32 0.08 -0.86 -5.06 117.98 109.84 3i1n s PHE 107 Ca -0.07 -0.43 -0.12 0.00 0.12 0.00 0.00 56.93 56.43 3i1n s PHE 107 Cb 0.06 -0.36 0.02 0.00 -0.57 0.00 0.00 43.02 42.16 3i1n s PHE 107 CO 0.65 -0.08 0.25 0.00 -0.10 0.00 0.00 175.22 175.95 3i1n s ALA 108 N -1.17 -0.63 0.31 5.36 0.00 -1.26 -0.80 121.76 123.57 3i1n s ALA 108 Ca -0.08 0.25 0.10 0.00 0.00 0.00 0.00 51.96 52.23 3i1n s ALA 108 Cb -0.09 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 3i1n s ALA 108 CO 0.00 -0.23 -0.14 0.15 0.00 0.00 0.00 175.76 175.55 3i1n s LYS 109 N -1.14 1.74 -0.17 0.00 1.02 -0.51 -1.23 119.74 119.45 3i1n s LYS 109 Ca -0.12 -1.86 -0.14 0.00 0.02 0.00 0.00 55.97 53.87 3i1n s LYS 109 Cb -0.06 -1.70 -0.09 0.00 -0.52 0.00 0.00 37.83 35.47 3i1n s LYS 109 CO 0.03 0.21 -0.07 0.28 -0.92 0.00 0.00 175.35 174.89 3i1n n VAL 110 N -0.71 1.47 0.00 3.17 0.31 -0.40 0.08 118.33 122.25 3i1n n VAL 110 Ca -0.05 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3i1n n VAL 110 Cb 0.62 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 3i1n n VAL 110 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i1n n ILE 111 N -4.53 -0.31 -3.04 2.52 -0.00 -1.26 -2.88 119.36 109.86 3i1n n ILE 111 Ca -0.18 0.00 -0.45 0.00 -0.00 0.00 0.00 62.75 62.12 3i1n n ILE 111 Cb 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.06 3i1n n ILE 111 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 3i1n s LEU 112 N -2.11 5.47 -0.35 1.39 0.20 -1.26 -3.87 118.68 118.14 3i1n s LEU 112 Ca 0.00 -2.06 0.06 0.00 0.69 0.00 0.00 54.13 52.82 3i1n s LEU 112 Cb 0.00 -2.34 0.47 0.00 -0.43 0.00 0.00 46.19 43.89 3i1n s LEU 112 CO 0.00 -0.97 1.43 0.00 -0.29 0.00 0.00 176.35 176.52 3i1n n ALA 113 N 5.97 4.95 -0.51 5.97 0.00 -1.26 -4.94 120.51 130.68 3i1n n ALA 113 Ca 0.16 -3.50 0.05 0.00 0.00 0.00 0.00 53.44 50.15 3i1n n ALA 113 Cb 0.47 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 3i1n n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 114 N -0.91 -0.60 2.96 0.00 0.00 -1.26 -4.17 105.19 101.21 3i1n n GLY 114 Ca 0.42 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3i1n n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1n n GLU 115 N -1.54 -1.63 -4.71 1.61 1.02 -1.26 -2.82 120.64 111.31 3i1n n GLU 115 Ca 0.00 1.02 -0.26 0.00 -0.02 0.00 0.00 57.16 57.91 3i1n n GLU 115 Cb 0.17 -5.28 -0.17 0.00 -0.02 0.00 0.00 31.44 26.14 3i1n n GLU 115 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i1n s VAL 116 N -3.20 1.30 0.10 2.62 0.11 -1.26 -3.58 120.40 116.49 3i1n s VAL 116 Ca 0.23 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 3i1n s VAL 116 Cb -0.03 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 3i1n s VAL 116 CO 0.65 0.39 0.00 0.41 -3.33 0.00 0.00 175.10 173.22 3i1n n THR 117 N 3.65 0.26 -1.54 5.04 -1.04 -1.26 -4.95 114.28 114.44 3i1n n THR 117 Ca -0.21 0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 3i1n n THR 117 Cb 0.52 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 3i1n n THR 117 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3i1n n THR 118 N -2.98 2.11 -2.43 12.58 -2.24 -1.26 -4.84 114.28 115.22 3i1n n THR 118 Ca 0.00 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 3i1n n THR 118 Cb 0.00 -0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 67.35 3i1n n THR 118 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3i1n s PRO 119 N -1.72 4.30 0.05 -0.78 0.02 -1.23 -4.86 135.00 130.77 3i1n s PRO 119 Ca 0.62 1.68 0.09 0.00 0.02 0.00 0.00 61.00 63.41 3i1n s PRO 119 Cb -0.62 -3.65 -0.03 0.00 0.02 0.00 0.00 34.50 30.22 3i1n s PRO 119 CO 0.58 -0.56 -0.24 0.08 -0.33 0.00 0.00 177.00 176.52 3i1n s VAL 120 N 2.76 1.97 -0.18 3.83 1.01 -1.26 -4.83 120.40 123.69 3i1n s VAL 120 Ca 0.56 -1.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3i1n s VAL 120 Cb -0.24 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3i1n s VAL 120 CO 0.19 0.29 -0.00 0.28 0.00 0.00 0.00 175.10 175.86 3i1n s THR 121 N -0.82 4.12 -0.10 3.92 -1.32 -1.24 -0.15 115.64 120.06 3i1n s THR 121 Ca 0.10 -0.27 0.04 0.00 -1.21 0.00 0.00 61.69 60.35 3i1n s THR 121 Cb -0.10 -2.84 -0.00 0.00 -1.51 0.00 0.00 72.50 68.06 3i1n s THR 121 CO 0.02 0.46 -0.24 0.54 -2.21 0.00 0.00 174.62 173.19 3i1n s VAL 122 N 0.61 2.08 -0.13 5.08 0.11 -0.05 -0.20 120.40 127.91 3i1n s VAL 122 Ca -0.01 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.04 3i1n s VAL 122 Cb -0.14 -1.79 0.02 0.00 -1.53 0.00 0.00 36.38 32.94 3i1n s VAL 122 CO 0.02 0.56 -0.16 -0.60 -3.33 0.00 0.00 175.10 171.60 3i1n s ARG 123 N 0.35 2.33 0.00 1.54 3.52 -0.52 -2.27 118.95 123.89 3i1n s ARG 123 Ca -0.19 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 3i1n s ARG 123 Cb -0.18 -2.03 0.00 0.00 -1.56 0.00 0.00 34.95 31.18 3i1n s ARG 123 CO 0.09 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 3i1n n GLY 124 N 4.40 3.00 3.85 8.12 0.00 -1.03 -2.96 105.19 120.58 3i1n n GLY 124 Ca -0.18 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 3i1n n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1n s LEU 125 N 0.00 3.58 0.33 0.99 1.43 -1.26 -4.93 118.68 118.81 3i1n s LEU 125 Ca 0.00 1.48 -0.21 0.00 -1.03 0.00 0.00 54.13 54.36 3i1n s LEU 125 Cb 0.00 -4.43 -0.10 0.00 0.03 0.00 0.00 46.19 41.70 3i1n s LEU 125 CO 0.00 -0.61 0.86 -0.60 0.23 0.00 0.00 176.35 176.22 3i1n s ARG 126 N -4.25 4.31 -0.03 1.70 3.52 -0.36 -4.97 118.95 118.87 3i1n s ARG 126 Ca 0.57 1.05 -0.01 0.00 -0.13 0.00 0.00 55.73 57.21 3i1n s ARG 126 Cb -0.10 -2.60 0.03 0.00 -1.56 0.00 0.00 34.95 30.72 3i1n s ARG 126 CO 0.35 0.21 0.04 0.54 -0.81 0.00 0.00 175.30 175.63 3i1n s VAL 127 N -1.80 -0.06 0.91 7.11 0.11 -1.26 -1.28 120.40 124.12 3i1n s VAL 127 Ca 0.52 0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 59.76 3i1n s VAL 127 Cb -0.14 -0.12 0.14 0.00 -1.53 0.00 0.00 36.38 34.73 3i1n s VAL 127 CO 0.19 0.13 1.16 0.42 -3.33 0.00 0.00 175.10 173.67 3i1n s THR 128 N 1.52 2.00 0.06 5.04 -4.23 -1.26 -4.64 115.64 114.14 3i1n s THR 128 Ca -0.03 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.30 3i1n s THR 128 Cb -0.13 -2.05 -0.07 0.00 1.34 0.00 0.00 72.50 71.60 3i1n s THR 128 CO -0.03 -0.00 1.28 0.11 -0.54 0.00 0.00 174.62 175.44 3i1n h LYS 129 N -1.79 -0.28 -0.78 3.99 1.57 -2.00 0.16 116.57 117.43 3i1n h LYS 129 Ca -0.43 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.55 3i1n h LYS 129 Cb 1.27 0.06 -0.13 0.00 0.08 0.00 0.00 32.23 33.52 3i1n h LYS 129 CO 0.42 -0.19 0.08 0.78 -0.57 0.00 0.00 179.45 179.97 3i1n h GLY 130 N -0.29 0.98 0.84 3.86 0.00 -1.98 0.16 103.07 106.64 3i1n h GLY 130 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3i1n h GLY 130 CO -0.24 -0.29 -0.21 0.00 0.00 0.00 0.00 176.54 175.81 3i1n h ALA 131 N 1.71 -0.57 -1.03 3.60 0.00 -1.72 0.98 119.26 122.24 3i1n h ALA 131 Ca 0.44 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.44 3i1n h ALA 131 Cb 0.80 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.70 3i1n h ALA 131 CO -0.64 -0.74 0.63 -0.09 0.00 0.00 0.00 179.25 178.41 3i1n h ARG 132 N -0.74 0.48 0.46 0.00 2.43 -0.00 0.63 114.38 117.64 3i1n h ARG 132 Ca -0.06 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3i1n h ARG 132 Cb 0.52 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3i1n h ARG 132 CO 0.10 0.32 -0.25 0.00 -1.51 0.00 0.00 179.97 178.63 3i1n h ALA 133 N 1.69 -1.14 0.25 2.80 0.00 0.07 -2.35 119.26 120.57 3i1n h ALA 133 Ca 0.63 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.41 3i1n h ALA 133 Cb 1.38 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 3i1n h ALA 133 CO -0.41 -1.10 -0.31 0.00 0.00 0.00 0.00 179.25 177.42 3i1n h ALA 134 N -1.62 -0.62 -0.87 0.00 0.00 0.90 -0.79 119.26 116.26 3i1n h ALA 134 Ca -0.06 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.89 3i1n h ALA 134 Cb 0.51 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 3i1n h ALA 134 CO 0.09 -0.89 -0.42 0.82 0.00 0.00 0.00 179.25 178.84 3i1n h ILE 135 N -0.62 0.04 -0.09 0.00 5.03 0.08 -2.36 117.51 119.59 3i1n h ILE 135 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 3i1n h ILE 135 Cb 0.59 0.04 -0.00 0.00 -3.03 0.00 0.00 36.82 34.41 3i1n h ILE 135 CO -0.10 0.00 0.01 -0.33 -0.68 0.00 0.00 178.15 177.05 3i1n h GLU 136 N -0.06 0.16 0.00 2.37 5.08 -1.02 -0.12 114.58 120.99 3i1n h GLU 136 Ca 0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3i1n h GLU 136 Cb 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3i1n h GLU 136 CO -0.89 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 177.51 3i1n n ALA 137 N -2.27 1.92 -2.14 3.43 0.00 -0.34 -1.34 120.51 119.77 3i1n n ALA 137 Ca -0.06 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 3i1n n ALA 137 Cb 0.18 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.44 3i1n n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n ALA 138 N -1.07 4.80 -0.49 0.00 0.00 -0.93 -4.94 120.51 117.87 3i1n n ALA 138 Ca 0.09 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.79 3i1n n ALA 138 Cb 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3i1n n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 139 N -0.68 1.00 3.89 0.00 0.00 -0.45 -3.49 105.19 105.45 3i1n n GLY 139 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 3i1n n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1n s GLY 140 N -1.68 1.63 0.02 -0.02 0.00 -0.08 -4.48 107.32 102.71 3i1n s GLY 140 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.41 3i1n s GLY 140 CO 0.00 -0.01 -0.13 1.25 0.00 0.00 0.00 173.10 174.20 3i1n s LYS 141 N -5.28 0.94 -0.27 2.90 2.47 0.79 -4.37 119.74 116.91 3i1n s LYS 141 Ca 0.57 -0.64 0.00 0.00 -1.56 0.00 0.00 55.97 54.35 3i1n s LYS 141 Cb -0.11 -0.92 0.08 0.00 -1.46 0.00 0.00 37.83 35.42 3i1n s LYS 141 CO 0.51 0.24 0.02 0.42 0.16 0.00 0.00 175.35 176.69 3i1n s ILE 142 N -0.66 1.37 0.08 5.43 1.01 -1.26 -0.87 121.20 126.30 3i1n s ILE 142 Ca 0.02 -1.39 0.03 0.00 0.00 0.00 0.00 60.65 59.31 3i1n s ILE 142 Cb -0.07 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3i1n s ILE 142 CO 0.01 -0.36 0.05 -1.83 0.00 0.00 0.00 174.94 172.81 3i1n s GLU 143 N 1.42 2.79 0.00 2.79 -1.05 -0.96 -5.01 118.70 118.68 3i1n s GLU 143 Ca 0.02 -0.72 0.29 0.00 -0.15 0.00 0.00 54.97 54.41 3i1n s GLU 143 Cb -0.18 -2.68 1.22 0.00 -0.44 0.00 0.00 34.13 32.06 3i1n s GLU 143 CO -0.12 0.56 1.84 -0.85 0.95 0.00 0.00 175.26 177.65