#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n LEU 2 N 0.00 0.00 -3.63 4.03 4.32 -1.26 -4.88 117.00 115.58 3i1t n LEU 2 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.95 3i1t n LEU 2 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 3i1t n LEU 2 CO 0.00 0.00 1.09 0.00 -1.22 0.00 0.00 177.39 177.26 3i1t s GLN 3 N 0.00 0.16 0.23 3.23 -2.07 -1.26 -4.74 119.66 115.21 3i1t s GLN 3 Ca 0.00 0.04 -0.30 0.00 -1.82 0.00 0.00 55.36 53.28 3i1t s GLN 3 Cb 0.00 0.08 -0.15 0.00 -1.09 0.00 0.00 33.01 31.84 3i1t s GLN 3 CO 0.00 -0.05 1.01 -0.35 -1.32 0.00 0.00 175.29 174.58 3i1t n PRO 4 N 0.59 1.08 0.00 9.60 -0.04 -1.26 -4.80 135.00 140.17 3i1t n PRO 4 Ca -0.02 0.38 -0.02 0.00 -0.04 0.00 0.00 63.50 63.80 3i1t n PRO 4 Cb 0.59 -1.76 0.24 0.00 -0.04 0.00 0.00 33.50 32.53 3i1t n PRO 4 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i1t h LYS 5 N 2.42 0.52 -3.76 0.54 1.63 -2.03 -3.45 116.57 112.45 3i1t h LYS 5 Ca -0.40 -0.15 -0.08 0.00 -0.85 0.00 0.00 60.65 59.17 3i1t h LYS 5 Cb 1.36 -0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 32.83 3i1t h LYS 5 CO 0.64 0.64 -0.18 -0.98 -3.45 0.00 0.00 179.45 176.12 3i1t s ARG 6 N -4.74 1.48 -0.24 1.90 1.70 -1.26 -5.17 118.95 112.62 3i1t s ARG 6 Ca -0.07 -1.28 -0.16 0.00 -0.47 0.00 0.00 55.73 53.75 3i1t s ARG 6 Cb 0.15 0.44 0.07 0.00 -0.57 0.00 0.00 34.95 35.04 3i1t s ARG 6 CO 0.78 -0.60 0.60 0.99 -1.08 0.00 0.00 175.30 175.99 3i1t s THR 7 N -4.03 -0.01 -2.00 4.99 2.01 -1.26 -5.02 115.64 110.32 3i1t s THR 7 Ca 0.24 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.28 3i1t s THR 7 Cb 0.00 -0.86 0.06 0.00 0.01 0.00 0.00 72.50 71.71 3i1t s THR 7 CO 0.08 0.01 0.54 0.29 -0.69 0.00 0.00 174.62 174.86 3i1t n LYS 8 N 3.80 0.42 -3.62 4.92 4.01 -1.26 -4.36 118.16 122.08 3i1t n LYS 8 Ca -0.19 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.49 3i1t n LYS 8 Cb 0.57 -1.07 -0.12 0.00 -0.51 0.00 0.00 35.03 33.90 3i1t n LYS 8 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3i1t s PHE 9 N -2.00 -0.53 0.06 2.13 0.08 -1.26 -5.06 117.98 111.40 3i1t s PHE 9 Ca 0.03 1.01 -0.37 0.00 0.12 0.00 0.00 56.93 57.73 3i1t s PHE 9 Cb 0.01 0.01 -0.20 0.00 -0.57 0.00 0.00 43.02 42.28 3i1t s PHE 9 CO 0.02 -0.44 1.52 0.00 -0.10 0.00 0.00 175.22 176.23 3i1t h ARG 10 N 8.26 -1.27 -6.71 0.44 2.47 -2.04 -3.45 114.38 112.08 3i1t h ARG 10 Ca -0.15 0.09 -0.68 0.00 -1.26 0.00 0.00 59.98 57.97 3i1t h ARG 10 Cb 1.12 0.29 -0.21 0.00 -1.65 0.00 0.00 29.97 29.52 3i1t h ARG 10 CO 0.16 -0.85 -0.82 0.15 0.56 0.00 0.00 179.97 179.17 3i1t s LYS 11 N -5.84 1.81 0.43 0.04 1.02 -1.26 -4.86 119.74 111.08 3i1t s LYS 11 Ca -0.19 -1.14 0.08 0.00 0.02 0.00 0.00 55.97 54.73 3i1t s LYS 11 Cb 0.02 -2.09 -0.00 0.00 -0.52 0.00 0.00 37.83 35.23 3i1t s LYS 11 CO 0.58 0.49 0.44 -1.64 -0.92 0.00 0.00 175.35 174.31 3i1t s MET 12 N -1.86 2.57 0.00 1.68 -1.94 -1.26 -5.08 119.30 113.41 3i1t s MET 12 Ca 0.16 -1.51 0.00 0.00 -1.71 0.00 0.00 55.69 52.63 3i1t s MET 12 Cb -0.10 -2.46 0.00 0.00 2.01 0.00 0.00 34.83 34.28 3i1t s MET 12 CO 0.08 -0.27 0.01 0.72 -0.01 0.00 0.00 175.02 175.54 3i1t n HIS 13 N -1.67 0.00 0.00 -0.03 8.25 -1.26 -4.92 115.22 115.59 3i1t n HIS 13 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3i1t n HIS 13 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 3i1t n HIS 13 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3i1t n LYS 14 N -0.02 0.00 0.00 -0.41 4.81 -1.26 -5.04 118.16 116.25 3i1t n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i1t n LYS 14 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i1t n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1t n GLY 15 N -0.53 1.31 0.00 3.14 0.00 -1.26 -4.90 105.19 102.95 3i1t n GLY 15 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3i1t n GLY 15 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1t n ARG 16 N 8.06 0.00 -1.32 1.61 1.85 -1.26 -5.16 116.66 120.45 3i1t n ARG 16 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 3i1t n ARG 16 Cb 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 32.46 31.52 3i1t n ARG 16 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3i1t s ASN 17 N 0.00 3.90 -0.22 2.89 0.01 -1.26 -5.01 114.94 115.25 3i1t s ASN 17 Ca 0.00 2.47 0.21 0.00 -0.71 0.00 0.00 52.86 54.83 3i1t s ASN 17 Cb 0.00 -2.60 0.46 0.00 0.41 0.00 0.00 41.25 39.52 3i1t s ASN 17 CO 0.00 -2.47 1.19 0.54 -1.51 0.00 0.00 177.10 174.85 3i1t n ARG 18 N -2.83 1.32 -0.52 -0.60 5.12 -1.26 -5.15 116.66 112.74 3i1t n ARG 18 Ca 0.14 -2.78 0.07 0.00 -1.93 0.00 0.00 57.85 53.35 3i1t n ARG 18 Cb 0.50 -0.93 -0.03 0.00 -1.16 0.00 0.00 32.46 30.84 3i1t n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i1t n GLY 19 N -0.56 -2.29 1.95 -0.13 0.00 -1.26 -5.06 105.19 97.84 3i1t n GLY 19 Ca 0.01 -1.35 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 3i1t n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1t n LEU 20 N -3.11 -3.77 -4.81 0.99 7.99 -1.26 -4.96 117.00 108.07 3i1t n LEU 20 Ca -0.02 0.93 -0.29 0.00 -0.01 0.00 0.00 56.01 56.62 3i1t n LEU 20 Cb 0.24 -1.95 0.16 0.00 -0.11 0.00 0.00 43.42 41.76 3i1t n LEU 20 CO 0.01 -1.64 0.75 0.00 -1.51 0.00 0.00 177.39 175.00 3i1t s ALA 21 N -0.31 1.87 -0.02 -1.18 0.00 -0.41 -4.91 121.76 116.79 3i1t s ALA 21 Ca -0.11 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3i1t s ALA 21 Cb 0.01 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 3i1t s ALA 21 CO 0.33 -2.41 0.02 1.04 0.00 0.00 0.00 175.76 174.74 3i1t n GLN 22 N -3.84 2.71 -3.01 0.00 1.13 -1.26 -4.89 117.38 108.23 3i1t n GLN 22 Ca 0.10 -0.01 -0.44 0.00 -1.94 0.00 0.00 57.00 54.71 3i1t n GLN 22 Cb 0.60 -1.08 -0.00 0.00 0.11 0.00 0.00 30.24 29.87 3i1t n GLN 22 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3i1t s GLY 23 N -3.15 2.52 0.00 1.08 0.00 -1.26 -4.85 107.32 101.66 3i1t s GLY 23 Ca -0.01 -3.41 0.00 0.00 0.00 0.00 0.00 44.72 41.29 3i1t s GLY 23 CO 0.13 1.93 0.00 2.41 0.00 0.00 0.00 173.10 177.57 3i1t n THR 24 N 4.35 0.00 -0.33 0.90 -1.04 -1.26 -1.19 114.28 115.72 3i1t n THR 24 Ca 0.34 0.20 -0.27 0.00 -2.04 0.00 0.00 64.05 62.28 3i1t n THR 24 Cb 0.42 -0.97 0.25 0.00 -1.82 0.00 0.00 70.33 68.22 3i1t n THR 24 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i1t n ASP 25 N -1.59 -3.68 -4.28 8.00 10.43 -1.26 -4.58 116.55 119.59 3i1t n ASP 25 Ca 0.00 -0.69 -0.45 0.00 2.57 0.00 0.00 54.79 56.23 3i1t n ASP 25 Cb 0.00 -0.97 -0.04 0.00 1.84 0.00 0.00 41.12 41.95 3i1t n ASP 25 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3i1t s VAL 26 N -2.13 5.12 -1.63 2.53 1.01 -1.26 -4.89 120.40 119.14 3i1t s VAL 26 Ca 0.59 -2.31 0.11 0.00 0.00 0.00 0.00 61.98 60.37 3i1t s VAL 26 Cb -0.12 -4.22 0.36 0.00 0.00 0.00 0.00 36.38 32.40 3i1t s VAL 26 CO 0.51 -0.95 1.25 -1.20 0.00 0.00 0.00 175.10 174.71 3i1t n SER 27 N 4.21 2.42 0.00 3.32 7.64 -1.26 -4.56 113.62 125.40 3i1t n SER 27 Ca 0.06 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.81 3i1t n SER 27 Cb 0.44 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3i1t n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3i1t n PHE 28 N 0.54 0.00 -2.59 1.43 3.72 -1.26 -5.14 117.46 114.17 3i1t n PHE 28 Ca 0.13 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.38 3i1t n PHE 28 Cb 0.43 0.42 0.08 0.00 -0.94 0.00 0.00 39.48 39.47 3i1t n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i1t n GLY 29 N 1.76 0.90 0.56 1.37 0.00 -1.26 -5.03 105.19 103.49 3i1t n GLY 29 Ca 0.00 -2.04 0.12 0.00 0.00 0.00 0.00 46.02 44.10 3i1t n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1t n SER 30 N -2.87 1.97 -3.77 1.61 3.41 -1.15 -4.86 113.62 107.96 3i1t n SER 30 Ca 0.11 -1.50 -0.17 0.00 -0.26 0.00 0.00 58.87 57.06 3i1t n SER 30 Cb 0.41 0.21 -0.16 0.00 -0.26 0.00 0.00 64.21 64.41 3i1t n SER 30 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3i1t s PHE 31 N -2.29 0.15 0.31 7.33 0.40 -1.15 -3.36 117.98 119.37 3i1t s PHE 31 Ca 0.25 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.73 3i1t s PHE 31 Cb 0.19 -0.35 -0.03 0.00 0.51 0.00 0.00 43.02 43.34 3i1t s PHE 31 CO 0.46 -0.12 0.23 0.20 0.70 0.00 0.00 175.22 176.68 3i1t s GLY 32 N 1.23 2.16 -0.23 4.36 0.00 -0.98 0.19 107.32 114.05 3i1t s GLY 32 Ca -0.07 -1.93 0.02 0.00 0.00 0.00 0.00 44.72 42.74 3i1t s GLY 32 CO -0.03 -1.49 -0.10 -2.27 0.00 0.00 0.00 173.10 169.22 3i1t s LEU 33 N -3.35 2.75 0.59 0.66 0.20 -0.99 -1.07 118.68 117.47 3i1t s LEU 33 Ca 0.39 -1.13 -0.16 0.00 0.69 0.00 0.00 54.13 53.92 3i1t s LEU 33 Cb 0.03 -1.34 -0.04 0.00 -0.43 0.00 0.00 46.19 44.42 3i1t s LEU 33 CO 0.23 -0.18 1.06 -0.75 -0.29 0.00 0.00 176.35 176.42 3i1t s LYS 34 N 1.29 3.35 0.00 1.98 2.47 -0.21 -0.14 119.74 128.48 3i1t s LYS 34 Ca -0.05 1.21 0.00 0.00 -1.56 0.00 0.00 55.97 55.57 3i1t s LYS 34 Cb -0.18 -2.04 0.00 0.00 -1.46 0.00 0.00 37.83 34.15 3i1t s LYS 34 CO -0.07 -0.78 0.30 0.00 0.16 0.00 0.00 175.35 174.96 3i1t n ALA 35 N -1.97 0.00 -2.74 3.13 0.00 -0.91 -3.02 120.51 115.00 3i1t n ALA 35 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 3i1t n ALA 35 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i1t n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1t n VAL 36 N -0.41 -9.07 0.00 0.00 0.31 -1.26 -3.68 118.33 104.22 3i1t n VAL 36 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 3i1t n VAL 36 Cb 0.00 -6.54 0.00 0.00 -0.91 0.00 0.00 33.84 26.39 3i1t n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1t n GLY 37 N -1.14 3.94 3.77 2.92 0.00 -1.26 -4.37 105.19 109.05 3i1t n GLY 37 Ca 0.04 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 3i1t n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1t s ARG 38 N -3.52 2.79 0.00 1.61 0.52 -1.26 -3.10 118.95 115.98 3i1t s ARG 38 Ca 0.00 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 3i1t s ARG 38 Cb 0.00 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.92 3i1t s ARG 38 CO 0.00 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.18 3i1t n GLY 39 N -0.54 1.07 3.48 -3.53 0.00 -1.09 -4.89 105.19 99.69 3i1t n GLY 39 Ca -0.08 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 3i1t n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1t s ARG 40 N -1.65 3.10 -0.27 1.61 1.70 -1.26 -2.03 118.95 120.15 3i1t s ARG 40 Ca 0.00 -0.61 -0.11 0.00 -0.47 0.00 0.00 55.73 54.55 3i1t s ARG 40 Cb 0.00 -2.64 -0.05 0.00 -0.57 0.00 0.00 34.95 31.69 3i1t s ARG 40 CO 0.00 0.43 0.18 -0.51 -1.08 0.00 0.00 175.30 174.32 3i1t s LEU 41 N -0.20 4.01 0.35 -1.89 1.02 -0.77 -4.90 118.68 116.30 3i1t s LEU 41 Ca 0.02 0.01 -0.27 0.00 0.02 0.00 0.00 54.13 53.90 3i1t s LEU 41 Cb -0.13 -2.10 -0.09 0.00 0.02 0.00 0.00 46.19 43.88 3i1t s LEU 41 CO 0.03 -0.02 1.18 -0.89 0.02 0.00 0.00 176.35 176.67 3i1t s THR 42 N 1.58 3.16 0.34 5.49 2.01 -1.26 -1.15 115.64 125.81 3i1t s THR 42 Ca 0.07 1.07 0.15 0.00 0.31 0.00 0.00 61.69 63.29 3i1t s THR 42 Cb -0.15 -3.64 0.34 0.00 0.01 0.00 0.00 72.50 69.05 3i1t s THR 42 CO 0.09 0.18 1.64 0.00 -0.69 0.00 0.00 174.62 175.84 3i1t h ALA 43 N 3.13 1.95 0.03 7.40 0.00 -1.75 0.21 119.26 130.24 3i1t h ALA 43 Ca -0.48 0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3i1t h ALA 43 Cb 1.23 0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.25 3i1t h ALA 43 CO 0.64 -0.67 -0.41 0.00 0.00 0.00 0.00 179.25 178.81 3i1t h ARG 44 N 0.22 0.22 -0.37 0.00 3.08 -1.90 -2.77 114.38 112.86 3i1t h ARG 44 Ca 0.75 -0.28 0.08 0.00 0.07 0.00 0.00 59.98 60.60 3i1t h ARG 44 Cb 1.79 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 31.84 3i1t h ARG 44 CO -0.67 1.04 -0.33 1.96 -1.07 0.00 0.00 179.97 180.91 3i1t h GLN 45 N -0.47 -0.26 -0.58 0.04 4.20 -1.01 0.45 115.11 117.48 3i1t h GLN 45 Ca -0.06 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3i1t h GLN 45 Cb 1.21 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 3i1t h GLN 45 CO 0.08 -0.17 0.10 -0.84 -0.67 0.00 0.00 178.83 177.32 3i1t h ILE 46 N -0.27 1.24 -0.14 2.54 3.07 -1.12 0.31 117.51 123.14 3i1t h ILE 46 Ca 0.16 -0.93 -0.06 0.00 1.55 0.00 0.00 64.86 65.58 3i1t h ILE 46 Cb 0.54 0.70 -0.00 0.00 -0.27 0.00 0.00 36.82 37.78 3i1t h ILE 46 CO -0.52 0.35 -0.13 -0.08 -1.05 0.00 0.00 178.15 176.72 3i1t h GLU 47 N 0.87 0.34 -0.77 0.16 4.22 -1.03 -1.30 114.58 117.07 3i1t h GLU 47 Ca 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 3i1t h GLU 47 Cb 0.38 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 3i1t h GLU 47 CO 0.01 0.72 0.39 0.00 -2.18 0.00 0.00 179.01 177.94 3i1t h ALA 48 N 0.61 0.98 0.00 2.92 0.00 0.22 0.34 119.26 124.34 3i1t h ALA 48 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i1t h ALA 48 Cb 0.65 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i1t h ALA 48 CO 0.03 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.80 3i1t h ALA 49 N 1.20 1.02 0.13 0.00 0.00 -0.31 -0.32 119.26 120.97 3i1t h ALA 49 Ca 0.27 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.95 3i1t h ALA 49 Cb 0.09 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3i1t h ALA 49 CO -0.04 0.02 -0.98 -0.09 0.00 0.00 0.00 179.25 178.16 3i1t h ARG 50 N 0.00 0.28 0.01 0.00 2.43 0.03 -3.19 114.38 113.95 3i1t h ARG 50 Ca -0.00 -0.48 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 3i1t h ARG 50 Cb 0.38 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3i1t h ARG 50 CO 0.00 1.23 -0.09 -0.09 -1.51 0.00 0.00 179.97 179.51 3i1t h ARG 51 N -0.36 -0.16 0.00 0.20 2.43 0.71 0.16 114.38 117.36 3i1t h ARG 51 Ca -0.19 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3i1t h ARG 51 Cb 1.67 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.25 3i1t h ARG 51 CO 0.12 -0.11 -0.14 0.00 -1.51 0.00 0.00 179.97 178.34 3i1t h ALA 52 N 0.80 1.31 -0.15 2.80 0.00 -1.28 -2.79 119.26 119.96 3i1t h ALA 52 Ca 0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3i1t h ALA 52 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i1t h ALA 52 CO -0.08 0.17 -0.35 1.98 0.00 0.00 0.00 179.25 180.96 3i1t h MET 53 N 0.00 0.50 -0.25 0.00 1.85 -0.76 -3.18 114.93 113.10 3i1t h MET 53 Ca -0.00 -0.34 -0.09 0.00 -0.61 0.00 0.00 59.70 58.66 3i1t h MET 53 Cb 0.36 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 3i1t h MET 53 CO 0.02 0.96 -0.22 1.15 -0.40 0.00 0.00 176.91 178.41 3i1t h THR 54 N 0.13 1.25 -0.68 -0.77 2.02 -0.91 -3.19 112.91 110.76 3i1t h THR 54 Ca -0.00 -1.18 0.11 0.00 0.77 0.00 0.00 66.41 66.10 3i1t h THR 54 Cb 0.96 1.31 -0.08 0.00 -1.74 0.00 0.00 68.15 68.60 3i1t h THR 54 CO 0.08 0.38 0.27 -0.09 0.37 0.00 0.00 175.52 176.52 3i1t h ARG 55 N 0.41 0.44 0.53 6.66 9.65 -1.47 0.63 114.38 131.22 3i1t h ARG 55 Ca 0.06 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 3i1t h ARG 55 Cb 0.61 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.10 3i1t h ARG 55 CO 0.04 0.29 -0.26 0.00 2.80 0.00 0.00 179.97 182.85 3i1t h ALA 56 N 1.47 -0.72 -0.04 2.80 0.00 -1.64 -2.69 119.26 118.45 3i1t h ALA 56 Ca 0.35 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i1t h ALA 56 Cb 0.46 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i1t h ALA 56 CO -0.34 -0.76 0.03 -0.39 0.00 0.00 0.00 179.25 177.79 3i1t h VAL 57 N -1.01 0.98 0.00 0.00 -1.51 -1.65 -3.48 116.25 109.58 3i1t h VAL 57 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 3i1t h VAL 57 Cb 0.63 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 3i1t h VAL 57 CO 0.12 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.75 3i1t n LYS 58 N -4.52 0.00 -1.49 5.19 5.02 0.20 -3.73 118.16 118.83 3i1t n LYS 58 Ca -0.02 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.87 3i1t n LYS 58 Cb 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.12 3i1t n LYS 58 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i1t n ARG 59 N 9.18 3.02 -4.07 1.97 0.63 -1.26 -4.84 116.66 121.30 3i1t n ARG 59 Ca 0.00 -2.34 -0.14 0.00 -0.92 0.00 0.00 57.85 54.45 3i1t n ARG 59 Cb 0.00 -3.04 -0.13 0.00 0.45 0.00 0.00 32.46 29.73 3i1t n ARG 59 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3i1t s GLN 60 N 2.97 0.38 2.29 -0.14 -0.21 -1.24 -5.14 119.66 118.57 3i1t s GLN 60 Ca 0.56 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.57 3i1t s GLN 60 Cb 0.15 -0.27 0.00 0.00 1.00 0.00 0.00 33.01 33.90 3i1t s GLN 60 CO -0.06 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.58 3i1t n GLY 61 N 2.41 -0.47 3.34 3.09 0.00 -1.26 -4.86 105.19 107.45 3i1t n GLY 61 Ca -0.17 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 3i1t n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1t s LYS 62 N 0.00 1.36 -0.04 1.61 2.47 -1.26 -4.75 119.74 119.13 3i1t s LYS 62 Ca 0.00 -1.24 -0.00 0.00 -1.56 0.00 0.00 55.97 53.17 3i1t s LYS 62 Cb 0.00 -1.73 0.03 0.00 -1.46 0.00 0.00 37.83 34.67 3i1t s LYS 62 CO 0.00 0.41 0.01 0.42 0.16 0.00 0.00 175.35 176.36 3i1t s ILE 63 N -1.04 0.14 0.36 5.43 1.09 -1.25 -3.25 121.20 122.67 3i1t s ILE 63 Ca 0.11 0.17 0.06 0.00 -1.10 0.00 0.00 60.65 59.89 3i1t s ILE 63 Cb -0.10 -0.28 -0.07 0.00 -1.06 0.00 0.00 42.46 40.95 3i1t s ILE 63 CO 0.05 0.17 0.02 0.26 -0.10 0.00 0.00 174.94 175.34 3i1t s TRP 64 N 1.43 2.22 -0.23 3.97 0.51 -1.14 -4.97 118.94 120.73 3i1t s TRP 64 Ca -0.04 -0.79 -0.03 0.00 -2.12 0.00 0.00 56.10 53.12 3i1t s TRP 64 Cb -0.13 -1.48 0.10 0.00 -0.81 0.00 0.00 33.47 31.15 3i1t s TRP 64 CO -0.03 0.25 0.23 0.42 -0.51 0.00 0.00 176.95 177.31 3i1t s ILE 65 N -2.99 -0.32 -0.01 2.03 1.01 -1.26 -2.90 121.20 116.77 3i1t s ILE 65 Ca 0.35 -0.24 0.13 0.00 0.00 0.00 0.00 60.65 60.89 3i1t s ILE 65 Cb 0.09 -0.76 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 3i1t s ILE 65 CO 0.16 -0.30 1.46 0.03 0.00 0.00 0.00 174.94 176.29 3i1t h ARG 66 N 8.31 0.00 -5.96 2.79 3.08 -1.48 -3.44 114.38 117.68 3i1t h ARG 66 Ca -0.17 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.32 3i1t h ARG 66 Cb 1.13 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 3i1t h ARG 66 CO 0.31 0.62 0.04 0.14 -1.07 0.00 0.00 179.97 180.01 3i1t s VAL 67 N -3.03 5.08 -0.17 2.04 -7.23 -1.26 -5.05 120.40 110.78 3i1t s VAL 67 Ca 0.02 1.33 0.01 0.00 -1.81 0.00 0.00 61.98 61.53 3i1t s VAL 67 Cb 0.09 -3.99 0.03 0.00 0.56 0.00 0.00 36.38 33.07 3i1t s VAL 67 CO 0.76 0.27 -0.13 0.12 -0.31 0.00 0.00 175.10 175.81 3i1t s PHE 68 N 0.77 2.31 0.00 2.82 5.36 -1.26 -5.07 117.98 122.90 3i1t s PHE 68 Ca 0.35 -1.41 0.00 0.00 -0.96 0.00 0.00 56.93 54.91 3i1t s PHE 68 Cb -0.17 -1.63 0.00 0.00 -0.34 0.00 0.00 43.02 40.88 3i1t s PHE 68 CO 0.16 -0.71 0.00 -2.30 -1.46 0.00 0.00 175.22 170.91 3i1t n PRO 69 N 4.73 0.00 0.00 10.12 -0.02 -1.26 -4.66 135.00 143.90 3i1t n PRO 69 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3i1t n PRO 69 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 3i1t n PRO 69 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i1t n ASP 70 N -0.99 0.00 -4.72 2.55 2.03 -1.26 -2.77 116.55 111.39 3i1t n ASP 70 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 3i1t n ASP 70 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 3i1t n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3i1t s LYS 71 N 0.00 4.27 0.00 -0.67 2.20 -1.11 -4.84 119.74 119.59 3i1t s LYS 71 Ca 0.00 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.84 3i1t s LYS 71 Cb 0.00 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3i1t s LYS 71 CO 0.00 -0.48 0.00 -2.30 -0.36 0.00 0.00 175.35 172.21 3i1t n PRO 72 N 3.49 0.00 0.00 4.03 -0.02 -1.26 -1.36 135.00 139.88 3i1t n PRO 72 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3i1t n PRO 72 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 3i1t n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i1t n ILE 73 N 0.00 0.00 -4.31 4.25 2.08 -1.26 -3.78 119.36 116.35 3i1t n ILE 73 Ca 0.00 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.07 3i1t n ILE 73 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 38.77 3i1t n ILE 73 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3i1t s THR 74 N 0.00 1.79 -0.04 1.39 -4.23 -1.26 -2.92 115.64 110.37 3i1t s THR 74 Ca 0.00 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 3i1t s THR 74 Cb 0.00 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.21 3i1t s THR 74 CO 0.00 -0.10 0.05 -1.61 -0.54 0.00 0.00 174.62 172.42 3i1t s GLU 75 N -2.11 0.03 0.10 3.99 2.02 -1.18 -4.96 118.70 116.59 3i1t s GLU 75 Ca 0.09 0.32 -0.31 0.00 0.02 0.00 0.00 54.97 55.09 3i1t s GLU 75 Cb -0.09 -0.55 -0.07 0.00 0.10 0.00 0.00 34.13 33.52 3i1t s GLU 75 CO 0.05 -0.31 1.31 0.21 0.02 0.00 0.00 175.26 176.54 3i1t s LYS 76 N 2.01 4.37 0.00 1.61 2.20 -1.26 -4.56 119.74 124.10 3i1t s LYS 76 Ca 0.03 1.95 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 3i1t s LYS 76 Cb -0.12 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3i1t s LYS 76 CO -0.03 -0.35 0.00 -2.30 -0.36 0.00 0.00 175.35 172.31 3i1t n PRO 77 N 3.83 3.14 0.00 4.03 -0.02 -1.26 -5.03 135.00 139.68 3i1t n PRO 77 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3i1t n PRO 77 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 3i1t n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i1t n LEU 78 N 0.00 0.00 -1.85 2.45 -0.00 -1.26 -4.70 117.00 111.65 3i1t n LEU 78 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 3i1t n LEU 78 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 3i1t n LEU 78 CO 0.00 0.00 0.95 0.00 -0.00 0.00 0.00 177.39 178.34 3i1t n ALA 79 N -3.00 3.91 -2.49 1.96 0.00 -1.26 -4.84 120.51 114.79 3i1t n ALA 79 Ca 0.00 -0.53 -0.32 0.00 0.00 0.00 0.00 53.44 52.59 3i1t n ALA 79 Cb 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 19.45 17.62 3i1t n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1t s VAL 80 N 0.98 3.11 0.74 0.00 0.11 -1.26 -5.11 120.40 118.97 3i1t s VAL 80 Ca 0.19 -0.84 -0.12 0.00 -2.93 0.00 0.00 61.98 58.28 3i1t s VAL 80 Cb 0.09 -2.27 0.04 0.00 -1.53 0.00 0.00 36.38 32.72 3i1t s VAL 80 CO 0.00 0.49 1.10 -0.13 -3.33 0.00 0.00 175.10 173.24 3i1t s ARG 81 N -1.03 2.36 1.13 1.54 0.52 -1.26 -5.02 118.95 117.19 3i1t s ARG 81 Ca 0.13 1.26 -0.18 0.00 -0.52 0.00 0.00 55.73 56.43 3i1t s ARG 81 Cb -0.11 -1.90 0.26 0.00 0.52 0.00 0.00 34.95 33.72 3i1t s ARG 81 CO 0.03 -1.57 1.16 -1.64 0.02 0.00 0.00 175.30 173.30 3i1t s MET 82 N -4.63 -0.62 -0.49 3.54 -1.94 -1.26 -4.43 119.30 109.46 3i1t s MET 82 Ca 0.63 -0.12 -0.09 0.00 -1.71 0.00 0.00 55.69 54.40 3i1t s MET 82 Cb -0.19 -1.67 0.01 0.00 2.01 0.00 0.00 34.83 35.00 3i1t s MET 82 CO 0.52 -3.30 0.31 0.41 -0.01 0.00 0.00 175.02 172.94 3i1t n GLY 83 N -1.70 -0.50 0.12 -0.03 0.00 -1.26 -4.84 105.19 96.98 3i1t n GLY 83 Ca 0.13 0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.42 3i1t n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1t n LYS 84 N -2.28 1.40 0.00 1.61 4.76 -1.26 -5.09 118.16 117.30 3i1t n LYS 84 Ca -0.10 -1.85 0.00 0.00 -2.87 0.00 0.00 58.31 53.49 3i1t n LYS 84 Cb 0.30 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 3i1t n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1t n GLY 85 N -0.83 3.41 3.58 0.72 0.00 -1.26 -5.02 105.19 105.80 3i1t n GLY 85 Ca 0.08 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3i1t n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1t s LYS 86 N -3.97 3.38 0.09 1.61 2.20 -1.26 -4.94 119.74 116.86 3i1t s LYS 86 Ca 0.00 0.49 -0.32 0.00 -0.36 0.00 0.00 55.97 55.78 3i1t s LYS 86 Cb 0.00 -4.09 -0.17 0.00 -1.51 0.00 0.00 37.83 32.06 3i1t s LYS 86 CO 0.00 -1.83 0.74 0.41 -0.36 0.00 0.00 175.35 174.31 3i1t n GLY 87 N 5.19 -0.96 3.56 5.54 0.00 -1.26 -4.89 105.19 112.38 3i1t n GLY 87 Ca 0.12 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 3i1t n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t s ASN 88 N -0.47 1.69 0.56 1.61 2.20 -1.26 -4.16 114.94 115.10 3i1t s ASN 88 Ca 0.72 1.72 -0.18 0.00 -0.94 0.00 0.00 52.86 54.18 3i1t s ASN 88 Cb -1.03 -2.37 -0.05 0.00 -2.00 0.00 0.00 41.25 35.80 3i1t s ASN 88 CO 0.53 -3.79 1.08 0.68 -2.94 0.00 0.00 177.10 172.66 3i1t s VAL 89 N -2.55 3.49 0.00 3.54 -7.23 -1.26 -3.07 120.40 113.32 3i1t s VAL 89 Ca 0.68 0.84 0.00 0.00 -1.81 0.00 0.00 61.98 61.69 3i1t s VAL 89 Cb -0.24 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.38 3i1t s VAL 89 CO 0.62 -0.29 0.00 -0.62 -0.31 0.00 0.00 175.10 174.50 3i1t n GLU 90 N -1.54 3.02 -3.60 4.82 1.02 -1.15 -4.90 120.64 118.32 3i1t n GLU 90 Ca 0.10 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.16 3i1t n GLU 90 Cb 0.52 -0.25 -0.05 0.00 -0.02 0.00 0.00 31.44 31.64 3i1t n GLU 90 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3i1t s TYR 91 N 0.00 -0.31 0.39 -0.32 1.13 -1.25 -5.11 117.35 111.87 3i1t s TYR 91 Ca 0.00 0.58 0.01 0.00 -1.41 0.00 0.00 57.07 56.25 3i1t s TYR 91 Cb 0.00 0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 41.29 3i1t s TYR 91 CO 0.00 -0.26 0.59 -1.58 -2.51 0.00 0.00 175.55 171.79 3i1t s TRP 92 N -0.87 3.38 -0.16 -3.49 0.52 -1.25 -4.13 118.94 112.95 3i1t s TRP 92 Ca 0.01 0.28 -0.29 0.00 0.02 0.00 0.00 56.10 56.12 3i1t s TRP 92 Cb -0.01 -2.06 0.09 0.00 -1.15 0.00 0.00 33.47 30.34 3i1t s TRP 92 CO -0.02 -0.07 0.82 0.54 0.02 0.00 0.00 176.95 178.25 3i1t s VAL 93 N -2.40 0.00 -0.26 4.03 0.11 -0.46 -2.00 120.40 119.42 3i1t s VAL 93 Ca 0.43 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.43 3i1t s VAL 93 Cb -0.10 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 3i1t s VAL 93 CO 0.37 0.00 0.03 0.00 -3.33 0.00 0.00 175.10 172.17 3i1t s ALA 94 N -0.63 3.00 -0.75 1.54 0.00 -0.30 -2.76 121.76 121.86 3i1t s ALA 94 Ca -0.04 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 3i1t s ALA 94 Cb -0.02 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 3i1t s ALA 94 CO 0.04 -0.65 2.04 -0.51 0.00 0.00 0.00 175.76 176.67 3i1t s LEU 95 N 1.52 3.19 -0.14 0.00 1.02 -1.26 -1.84 118.68 121.16 3i1t s LEU 95 Ca 0.04 -0.05 -0.08 0.00 0.02 0.00 0.00 54.13 54.06 3i1t s LEU 95 Cb -0.16 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.47 3i1t s LEU 95 CO 0.01 -2.81 0.14 0.27 0.02 0.00 0.00 176.35 173.98 3i1t s ILE 96 N 10.67 5.47 0.21 -0.59 -4.36 -0.86 -5.02 121.20 126.72 3i1t s ILE 96 Ca 0.75 0.20 0.08 0.00 -0.26 0.00 0.00 60.65 61.42 3i1t s ILE 96 Cb -0.11 -3.41 -0.05 0.00 1.25 0.00 0.00 42.46 40.14 3i1t s ILE 96 CO 0.10 0.57 -0.15 0.00 0.24 0.00 0.00 174.94 175.71 3i1t s GLN 97 N -0.67 1.35 -0.15 0.37 0.00 -1.26 -2.68 119.66 116.61 3i1t s GLN 97 Ca 0.13 -1.59 -0.40 0.00 -0.00 0.00 0.00 55.36 53.50 3i1t s GLN 97 Cb -0.12 -1.17 -0.18 0.00 0.00 0.00 0.00 33.01 31.54 3i1t s GLN 97 CO 0.02 0.20 1.46 -2.30 0.00 0.00 0.00 175.29 174.67 3i1t n PRO 98 N -0.35 0.70 0.00 9.60 -0.02 -1.18 -1.84 135.00 141.91 3i1t n PRO 98 Ca -0.08 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3i1t n PRO 98 Cb 0.60 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3i1t n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1t n GLY 99 N 3.11 3.41 3.46 -1.23 0.00 -1.26 -1.29 105.19 111.38 3i1t n GLY 99 Ca 0.24 -0.97 -0.45 0.00 0.00 0.00 0.00 46.02 44.84 3i1t n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1t n LYS 100 N 0.00 0.32 -1.69 1.61 4.76 -0.77 -3.87 118.16 118.53 3i1t n LYS 100 Ca 0.00 0.04 -0.44 0.00 -2.87 0.00 0.00 58.31 55.03 3i1t n LYS 100 Cb 0.00 -1.96 -0.04 0.00 -1.84 0.00 0.00 35.03 31.19 3i1t n LYS 100 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3i1t n VAL 101 N 7.38 0.12 -0.06 -0.18 3.14 -0.33 -2.14 118.33 126.25 3i1t n VAL 101 Ca 0.56 -0.03 -0.05 0.00 -2.96 0.00 0.00 64.34 61.86 3i1t n VAL 101 Cb 0.13 -1.70 -0.02 0.00 -1.06 0.00 0.00 33.84 31.19 3i1t n VAL 101 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3i1t n LEU 102 N 3.45 1.60 0.00 6.55 7.99 0.80 -4.33 117.00 133.05 3i1t n LEU 102 Ca 0.16 0.54 -0.27 0.00 -0.01 0.00 0.00 56.01 56.44 3i1t n LEU 102 Cb 0.31 -0.81 -0.04 0.00 -0.11 0.00 0.00 43.42 42.77 3i1t n LEU 102 CO 0.64 -0.45 -0.13 -1.22 -1.51 0.00 0.00 177.39 174.71 3i1t n TYR 103 N -4.30 0.54 -3.62 -1.77 4.02 -1.25 -1.58 117.16 109.20 3i1t n TYR 103 Ca -0.07 -2.13 -0.15 0.00 -0.01 0.00 0.00 57.90 55.54 3i1t n TYR 103 Cb 0.27 -0.32 -0.07 0.00 -0.02 0.00 0.00 39.34 39.20 3i1t n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3i1t s GLU 104 N -3.69 0.85 0.40 -0.72 2.02 -1.14 -2.34 118.70 114.08 3i1t s GLU 104 Ca 0.08 0.72 0.08 0.00 0.02 0.00 0.00 54.97 55.86 3i1t s GLU 104 Cb -0.01 0.41 -0.07 0.00 0.10 0.00 0.00 34.13 34.57 3i1t s GLU 104 CO 0.05 -0.16 0.03 1.41 0.02 0.00 0.00 175.26 176.61 3i1t s MET 105 N -0.11 2.01 0.00 1.61 1.75 0.51 -2.90 119.30 122.17 3i1t s MET 105 Ca -0.03 -2.00 0.00 0.00 -1.25 0.00 0.00 55.69 52.41 3i1t s MET 105 Cb -0.03 -1.75 0.00 0.00 2.84 0.00 0.00 34.83 35.89 3i1t s MET 105 CO 0.03 -0.02 0.00 -3.47 -0.65 0.00 0.00 175.02 170.91 3i1t n ASP 106 N -1.00 0.00 -1.43 1.11 2.03 -1.20 -2.92 116.55 113.14 3i1t n ASP 106 Ca -0.04 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.19 3i1t n ASP 106 Cb 0.66 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.10 3i1t n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i1t n GLY 107 N -1.45 2.86 3.65 0.27 0.00 -1.26 -4.79 105.19 104.48 3i1t n GLY 107 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 3i1t n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t s VAL 108 N -1.05 0.00 1.16 1.61 0.11 -1.26 -4.19 120.40 116.77 3i1t s VAL 108 Ca 0.17 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.09 3i1t s VAL 108 Cb 0.14 -1.00 0.28 0.00 -1.53 0.00 0.00 36.38 34.27 3i1t s VAL 108 CO 0.03 0.00 1.04 -2.84 -3.33 0.00 0.00 175.10 169.99 3i1t s PRO 109 N 0.35 -0.87 -1.00 1.54 0.02 -1.26 -4.56 135.00 129.22 3i1t s PRO 109 Ca 0.02 0.64 -0.26 0.00 0.02 0.00 0.00 61.00 61.42 3i1t s PRO 109 Cb -0.04 -1.58 -0.17 0.00 0.02 0.00 0.00 34.50 32.73 3i1t s PRO 109 CO -0.14 -3.64 2.17 -1.83 -0.33 0.00 0.00 177.00 173.23 3i1t s GLU 110 N -4.66 1.53 0.00 5.54 -1.05 -1.26 -3.11 118.70 115.69 3i1t s GLU 110 Ca 0.68 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.25 3i1t s GLU 110 Cb -0.22 -4.96 0.00 0.00 -0.44 0.00 0.00 34.13 28.51 3i1t s GLU 110 CO 0.62 -4.91 0.00 -1.91 0.95 0.00 0.00 175.26 170.01 3i1t n GLU 111 N 8.41 0.00 0.03 -4.83 4.07 -1.26 -4.79 120.64 122.27 3i1t n GLU 111 Ca 0.43 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.59 3i1t n GLU 111 Cb 0.46 0.00 0.27 0.00 -0.06 0.00 0.00 31.44 32.10 3i1t n GLU 111 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3i1t n LEU 112 N -1.97 0.13 -0.03 4.31 -0.00 -1.24 -1.51 117.00 116.68 3i1t n LEU 112 Ca 0.00 0.54 -0.01 0.00 -0.00 0.00 0.00 56.01 56.54 3i1t n LEU 112 Cb 0.00 -0.53 -0.00 0.00 -0.00 0.00 0.00 43.42 42.88 3i1t n LEU 112 CO 0.00 -0.41 -0.09 0.00 -0.00 0.00 0.00 177.39 176.89 3i1t h ALA 113 N 2.29 0.00 0.00 1.96 0.00 -1.78 -3.04 119.26 118.69 3i1t h ALA 113 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3i1t h ALA 113 Cb 0.18 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i1t h ALA 113 CO 0.00 0.13 -0.06 -0.09 0.00 0.00 0.00 179.25 179.23 3i1t h ARG 114 N -0.60 0.00 0.00 0.00 2.43 -1.82 -0.98 114.38 113.41 3i1t h ARG 114 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3i1t h ARG 114 Cb 0.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3i1t h ARG 114 CO 0.00 0.06 -0.39 1.49 -1.51 0.00 0.00 179.97 179.62 3i1t h GLU 115 N 0.00 0.00 0.00 0.20 4.22 -1.43 -3.03 114.58 114.54 3i1t h GLU 115 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 3i1t h GLU 115 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3i1t h GLU 115 CO 0.01 0.22 -0.08 0.00 -2.18 0.00 0.00 179.01 176.98 3i1t h ALA 116 N 1.76 0.97 -0.48 2.92 0.00 -1.05 -2.72 119.26 120.65 3i1t h ALA 116 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i1t h ALA 116 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3i1t h ALA 116 CO 0.03 0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.57 3i1t n PHE 117 N -3.14 0.82 -0.10 0.00 3.01 -1.12 -3.71 117.46 113.22 3i1t n PHE 117 Ca 0.02 -0.37 -0.16 0.00 1.01 0.00 0.00 57.45 57.96 3i1t n PHE 117 Cb 0.47 -0.07 -0.09 0.00 -0.01 0.00 0.00 39.48 39.78 3i1t n PHE 117 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3i1t n LYS 118 N 0.87 0.49 0.00 -1.08 0.00 -1.03 -2.37 118.16 115.04 3i1t n LYS 118 Ca 0.17 0.13 0.10 0.00 0.00 0.00 0.00 58.31 58.71 3i1t n LYS 118 Cb 0.52 -1.37 0.58 0.00 0.00 0.00 0.00 35.03 34.76 3i1t n LYS 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3i1t n LEU 119 N -3.29 0.00 0.00 3.14 0.00 -1.22 -3.53 117.00 112.10 3i1t n LEU 119 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.64 3i1t n LEU 119 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.28 3i1t n LEU 119 CO 0.16 0.00 -0.49 0.00 0.00 0.00 0.00 177.39 177.06 3i1t n ALA 120 N -0.82 1.97 -0.25 1.96 0.00 -1.24 -4.60 120.51 117.54 3i1t n ALA 120 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.62 3i1t n ALA 120 Cb 0.07 0.27 0.27 0.00 0.00 0.00 0.00 19.45 20.05 3i1t n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t h ALA 121 N 0.00 1.55 0.00 0.00 0.00 -1.51 -2.65 119.26 116.64 3i1t h ALA 121 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i1t h ALA 121 Cb 0.97 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i1t h ALA 121 CO 0.00 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3i1t n ALA 122 N -2.42 2.06 0.40 0.00 0.00 -1.25 -1.65 120.51 117.66 3i1t n ALA 122 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.61 3i1t n ALA 122 Cb 0.16 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 3i1t n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1t n LYS 123 N -0.27 2.50 -2.32 0.00 4.76 -1.00 -5.03 118.16 116.81 3i1t n LYS 123 Ca 0.00 -0.03 -0.25 0.00 -2.87 0.00 0.00 58.31 55.17 3i1t n LYS 123 Cb 0.05 -1.10 0.06 0.00 -1.84 0.00 0.00 35.03 32.21 3i1t n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i1t s LEU 124 N -2.86 2.94 -0.05 -0.35 1.43 -0.66 -4.86 118.68 114.27 3i1t s LEU 124 Ca 0.02 0.31 0.13 0.00 -1.03 0.00 0.00 54.13 53.56 3i1t s LEU 124 Cb 0.08 -3.00 0.41 0.00 0.03 0.00 0.00 46.19 43.71 3i1t s LEU 124 CO 0.47 -1.50 1.34 -0.81 0.23 0.00 0.00 176.35 176.08 3i1t n PRO 125 N -2.78 2.96 -3.73 1.29 -0.04 -1.26 -4.93 135.00 126.51 3i1t n PRO 125 Ca 0.08 -2.34 -0.14 0.00 -0.04 0.00 0.00 63.50 61.07 3i1t n PRO 125 Cb 0.60 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 3i1t n PRO 125 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i1t s ILE 126 N -1.50 -0.08 0.03 0.52 -5.25 -1.26 -5.04 121.20 108.61 3i1t s ILE 126 Ca 0.31 0.19 -0.35 0.00 -0.99 0.00 0.00 60.65 59.82 3i1t s ILE 126 Cb 0.20 -0.29 -0.18 0.00 2.95 0.00 0.00 42.46 45.14 3i1t s ILE 126 CO 0.16 0.08 0.90 2.29 -1.79 0.00 0.00 174.94 176.58 3i1t n LYS 127 N 4.38 0.00 -4.08 0.37 2.85 -1.26 -4.95 118.16 115.46 3i1t n LYS 127 Ca -0.23 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 56.89 3i1t n LYS 127 Cb 0.52 -1.30 -0.12 0.00 -0.65 0.00 0.00 35.03 33.48 3i1t n LYS 127 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3i1t s THR 128 N -0.14 0.47 0.54 0.58 -4.23 -1.24 -4.32 115.64 107.30 3i1t s THR 128 Ca 0.79 -0.78 0.06 0.00 -1.18 0.00 0.00 61.69 60.58 3i1t s THR 128 Cb -1.11 -0.50 0.04 0.00 1.34 0.00 0.00 72.50 72.27 3i1t s THR 128 CO 0.52 -0.22 0.40 0.28 -0.54 0.00 0.00 174.62 175.05 3i1t s THR 129 N -0.95 1.69 -0.15 3.99 -1.32 -1.17 -4.92 115.64 112.81 3i1t s THR 129 Ca -0.06 -1.49 -0.12 0.00 -1.21 0.00 0.00 61.69 58.80 3i1t s THR 129 Cb -0.07 -2.18 -0.05 0.00 -1.51 0.00 0.00 72.50 68.69 3i1t s THR 129 CO 0.00 0.00 0.25 0.12 -2.21 0.00 0.00 174.62 172.78 3i1t s PHE 130 N -2.76 3.48 0.05 9.09 5.36 -1.26 -1.04 117.98 130.89 3i1t s PHE 130 Ca 0.34 0.55 0.07 0.00 -0.96 0.00 0.00 56.93 56.94 3i1t s PHE 130 Cb -0.02 -2.25 -0.03 0.00 -0.34 0.00 0.00 43.02 40.37 3i1t s PHE 130 CO 0.21 0.33 -0.19 0.08 -1.46 0.00 0.00 175.22 174.19 3i1t s VAL 131 N 0.18 2.72 0.00 3.12 1.01 -0.23 -4.86 120.40 122.35 3i1t s VAL 131 Ca 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.90 3i1t s VAL 131 Cb -0.13 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3i1t s VAL 131 CO 0.03 0.33 0.00 0.35 0.00 0.00 0.00 175.10 175.81 3i1t n THR 132 N 1.53 0.00 0.06 3.92 -2.24 -1.26 -2.32 114.28 113.97 3i1t n THR 132 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3i1t n THR 132 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3i1t n THR 132 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i1t n LYS 133 N 0.00 0.00 -0.40 -0.78 4.81 -1.21 -3.63 118.16 116.94 3i1t n LYS 133 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i1t n LYS 133 Cb 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.04 3i1t n LYS 133 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3i1t n THR 134 N -2.95 -2.05 0.00 3.15 -1.04 -1.26 -4.36 114.28 105.77 3i1t n THR 134 Ca 0.00 0.56 0.00 0.00 -2.04 0.00 0.00 64.05 62.57 3i1t n THR 134 Cb 0.01 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 3i1t n THR 134 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i1t n VAL 135 N -0.27 0.00 1.33 12.58 0.31 -1.26 -5.02 118.33 126.00 3i1t n VAL 135 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3i1t n VAL 135 Cb 0.00 0.00 0.38 0.00 -0.91 0.00 0.00 33.84 33.31 3i1t n VAL 135 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31