#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m n ASN 2 N 0.00 2.71 -4.66 6.12 3.02 -1.26 -4.95 115.26 116.23 3i4m n ASN 2 Ca 0.00 -1.88 -0.46 0.00 -0.03 0.00 0.00 54.58 52.21 3i4m n ASN 2 Cb 0.00 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.07 3i4m n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4m n ALA 3 N 1.08 1.08 -1.01 5.41 0.00 -1.26 -4.97 120.51 120.84 3i4m n ALA 3 Ca 0.16 0.44 -0.07 0.00 0.00 0.00 0.00 53.44 53.98 3i4m n ALA 3 Cb 0.53 -2.30 0.09 0.00 0.00 0.00 0.00 19.45 17.77 3i4m n ALA 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i4m n PRO 4 N 2.90 -1.80 -3.35 0.00 -0.04 -1.26 -4.97 135.00 126.48 3i4m n PRO 4 Ca 0.15 -0.60 -0.38 0.00 -0.04 0.00 0.00 63.50 62.63 3i4m n PRO 4 Cb 0.29 -0.57 -0.07 0.00 -0.04 0.00 0.00 33.50 33.11 3i4m n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i4m s ASP 5 N -2.52 6.45 0.18 3.54 1.01 -1.26 -4.97 116.67 119.10 3i4m s ASP 5 Ca 0.24 0.54 -0.16 0.00 0.71 0.00 0.00 52.55 53.88 3i4m s ASP 5 Cb -0.02 -2.25 0.17 0.00 1.01 0.00 0.00 42.92 41.83 3i4m s ASP 5 CO 0.19 -0.11 1.27 0.54 0.21 0.00 0.00 175.17 177.26 3i4m n ARG 6 N 4.63 -0.21 0.32 8.23 5.12 -1.26 0.65 116.66 134.14 3i4m n ARG 6 Ca -0.07 1.26 0.20 0.00 -1.93 0.00 0.00 57.85 57.31 3i4m n ARG 6 Cb 0.51 -1.86 1.10 0.00 -1.16 0.00 0.00 32.46 31.05 3i4m n ARG 6 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3i4m h PHE 7 N 0.00 0.00 0.00 -1.55 -5.15 -2.00 -2.87 116.94 105.37 3i4m h PHE 7 Ca 0.27 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.04 3i4m h PHE 7 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.64 3i4m h PHE 7 CO -0.73 0.01 0.00 0.39 -2.00 0.00 0.00 178.31 175.97 3i4m n GLU 8 N -3.27 0.00 0.00 6.09 1.02 0.21 -0.13 120.64 124.56 3i4m n GLU 8 Ca -0.03 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.22 3i4m n GLU 8 Cb 0.10 -1.00 0.01 0.00 -0.02 0.00 0.00 31.44 30.53 3i4m n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i4m n LEU 9 N -0.38 0.85 0.00 -4.62 4.77 -1.09 -4.61 117.00 111.93 3i4m n LEU 9 Ca 0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3i4m n LEU 9 Cb 0.00 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3i4m n LEU 9 CO 0.00 0.21 0.00 2.22 -1.33 0.00 0.00 177.39 178.49 3i4m n PHE 10 N -1.47 0.00 -3.70 -1.77 -0.00 0.81 -4.20 117.46 107.12 3i4m n PHE 10 Ca 0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.12 3i4m n PHE 10 Cb 0.33 0.01 -0.12 0.00 -0.00 0.00 0.00 39.48 39.70 3i4m n PHE 10 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3i4m s LEU 11 N 0.00 4.04 -0.62 5.98 2.01 -1.05 -4.96 118.68 124.08 3i4m s LEU 11 Ca 0.00 -0.66 -0.27 0.00 0.01 0.00 0.00 54.13 53.21 3i4m s LEU 11 Cb 0.00 -1.94 0.00 0.00 0.01 0.00 0.00 46.19 44.26 3i4m s LEU 11 CO 0.00 -0.21 1.55 -0.76 1.01 0.00 0.00 176.35 177.94 3i4m s LEU 12 N 1.55 3.30 0.08 1.79 1.02 -1.26 -4.80 118.68 120.36 3i4m s LEU 12 Ca 0.03 0.14 -0.29 0.00 0.02 0.00 0.00 54.13 54.03 3i4m s LEU 12 Cb -0.17 -2.76 -0.05 0.00 0.02 0.00 0.00 46.19 43.23 3i4m s LEU 12 CO 0.04 -1.97 0.93 -0.83 0.02 0.00 0.00 176.35 174.54 3i4m s GLY 13 N 5.56 2.95 -0.37 -3.19 0.00 -1.26 -4.51 107.32 106.51 3i4m s GLY 13 Ca 0.54 0.52 -0.26 0.00 0.00 0.00 0.00 44.72 45.52 3i4m s GLY 13 CO 0.21 1.44 0.51 1.18 0.00 0.00 0.00 173.10 176.44 3i4m n GLU 14 N 3.00 -1.88 -2.61 2.90 1.02 -1.26 -4.41 120.64 117.39 3i4m n GLU 14 Ca 0.02 1.57 -0.00 0.00 -0.02 0.00 0.00 57.16 58.73 3i4m n GLU 14 Cb 0.50 -2.90 -0.00 0.00 -0.02 0.00 0.00 31.44 29.01 3i4m n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4m n GLY 15 N 0.08 -0.67 2.93 0.62 0.00 -1.26 -5.02 105.19 101.87 3i4m n GLY 15 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 3i4m n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i4m s GLU 16 N -0.08 0.97 0.16 1.61 2.02 -1.26 -5.13 118.70 116.99 3i4m s GLU 16 Ca -0.02 -0.77 -0.34 0.00 0.02 0.00 0.00 54.97 53.86 3i4m s GLU 16 Cb 0.00 -0.02 -0.15 0.00 0.10 0.00 0.00 34.13 34.06 3i4m s GLU 16 CO 0.06 -1.27 1.42 0.45 0.02 0.00 0.00 175.26 175.93 3i4m n SER 17 N 3.54 2.38 -0.11 -0.19 2.88 -1.26 -4.84 113.62 116.02 3i4m n SER 17 Ca 0.15 1.11 -0.05 0.00 -1.33 0.00 0.00 58.87 58.76 3i4m n SER 17 Cb 0.56 -1.33 -0.04 0.00 -0.75 0.00 0.00 64.21 62.65 3i4m n SER 17 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3i4m h LYS 18 N 4.81 -0.07 -7.57 -1.46 1.79 -1.89 -3.41 116.57 108.77 3i4m h LYS 18 Ca -0.45 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.55 3i4m h LYS 18 Cb 1.29 0.01 0.10 0.00 -1.58 0.00 0.00 32.23 32.05 3i4m h LYS 18 CO 0.80 -0.04 0.39 -0.51 -1.08 0.00 0.00 179.45 179.01 3i4m s LEU 19 N -7.54 2.57 -0.30 2.94 1.43 -1.26 -0.44 118.68 116.08 3i4m s LEU 19 Ca -0.05 0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 53.65 3i4m s LEU 19 Cb 0.04 -3.31 0.20 0.00 0.03 0.00 0.00 46.19 43.14 3i4m s LEU 19 CO 0.24 -1.82 1.25 -0.75 0.23 0.00 0.00 176.35 175.50 3i4m s LYS 20 N -5.52 0.06 -0.15 1.70 2.20 -1.16 -4.89 119.74 111.98 3i4m s LYS 20 Ca 0.61 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 3i4m s LYS 20 Cb -0.11 0.07 0.03 0.00 -1.51 0.00 0.00 37.83 36.32 3i4m s LYS 20 CO 0.49 -0.02 -0.10 0.42 -0.36 0.00 0.00 175.35 175.78 3i4m s ILE 21 N 1.86 1.36 -0.13 5.43 1.01 -1.26 0.10 121.20 129.57 3i4m s ILE 21 Ca -0.02 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 3i4m s ILE 21 Cb -0.01 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 3i4m s ILE 21 CO -0.15 0.32 -0.11 -1.81 0.00 0.00 0.00 174.94 173.20 3i4m s ASP 22 N 1.55 4.23 -0.41 3.58 1.01 -0.71 -4.95 116.67 120.96 3i4m s ASP 22 Ca 0.03 -0.27 -0.28 0.00 0.71 0.00 0.00 52.55 52.74 3i4m s ASP 22 Cb -0.14 -1.63 -0.02 0.00 1.01 0.00 0.00 42.92 42.14 3i4m s ASP 22 CO -0.09 0.17 1.78 -2.16 0.21 0.00 0.00 175.17 175.08 3i4m s PRO 23 N 0.31 3.16 0.22 8.23 0.04 -1.26 -0.74 135.00 144.96 3i4m s PRO 23 Ca -0.08 1.16 -0.32 0.00 0.04 0.00 0.00 61.00 61.80 3i4m s PRO 23 Cb -0.15 -4.23 -0.12 0.00 0.04 0.00 0.00 34.50 30.03 3i4m s PRO 23 CO 0.05 -2.07 1.65 -3.47 0.04 0.00 0.00 177.00 173.20 3i4m n ASP 24 N 10.85 3.75 -0.01 6.66 -0.08 -0.64 -4.86 116.55 132.22 3i4m n ASP 24 Ca 0.22 1.09 0.11 0.00 -1.51 0.00 0.00 54.79 54.69 3i4m n ASP 24 Cb 0.48 -1.55 -0.16 0.00 2.34 0.00 0.00 41.12 42.24 3i4m n ASP 24 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3i4m n THR 25 N 3.35 0.00 -0.34 5.18 -2.24 -1.26 -4.43 114.28 114.54 3i4m n THR 25 Ca 0.14 -0.46 0.18 0.00 -2.27 0.00 0.00 64.05 61.65 3i4m n THR 25 Cb 0.34 0.07 0.39 0.00 -2.10 0.00 0.00 70.33 69.03 3i4m n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3i4m h LYS 26 N 0.00 0.50 -4.12 -0.78 1.79 -1.95 -3.41 116.57 108.60 3i4m h LYS 26 Ca 0.00 -0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.21 3i4m h LYS 26 Cb 0.93 -0.11 -0.24 0.00 -1.58 0.00 0.00 32.23 31.24 3i4m h LYS 26 CO 0.00 0.33 -0.72 0.00 -1.08 0.00 0.00 179.45 177.98 3i4m s ALA 27 N -5.77 0.25 0.38 3.86 0.00 -1.26 -5.14 121.76 114.08 3i4m s ALA 27 Ca -0.11 -0.45 -0.26 0.00 0.00 0.00 0.00 51.96 51.13 3i4m s ALA 27 Cb 0.27 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 23.34 3i4m s ALA 27 CO 0.79 -0.05 1.25 -0.35 0.00 0.00 0.00 175.76 177.40 3i4m n PRO 28 N 2.08 1.94 -3.33 0.00 -0.04 -1.26 -4.16 135.00 130.22 3i4m n PRO 28 Ca -0.19 0.69 -0.18 0.00 -0.04 0.00 0.00 63.50 63.77 3i4m n PRO 28 Cb 0.56 -2.31 0.02 0.00 -0.04 0.00 0.00 33.50 31.73 3i4m n PRO 28 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3i4m n ASN 29 N 0.49 -6.09 -3.65 3.54 2.85 -1.26 -4.82 115.26 106.33 3i4m n ASN 29 Ca 0.06 0.15 -0.05 0.00 -0.11 0.00 0.00 54.58 54.64 3i4m n ASN 29 Cb 0.38 -1.62 -0.07 0.00 1.24 0.00 0.00 39.78 39.71 3i4m n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i4m s ALA 30 N -1.21 -2.15 0.31 5.20 0.00 -1.26 -3.01 121.76 119.64 3i4m s ALA 30 Ca 0.17 1.74 0.03 0.00 0.00 0.00 0.00 51.96 53.90 3i4m s ALA 30 Cb -0.02 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3i4m s ALA 30 CO 0.40 -0.14 0.13 0.08 0.00 0.00 0.00 175.76 176.23 3i4m s VAL 31 N 0.09 0.50 -0.22 0.00 1.01 0.11 -1.62 120.40 120.26 3i4m s VAL 31 Ca 0.06 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.03 3i4m s VAL 31 Cb -0.05 -2.55 0.07 0.00 0.00 0.00 0.00 36.38 33.85 3i4m s VAL 31 CO -0.13 0.00 0.02 -0.69 0.00 0.00 0.00 175.10 174.30 3i4m s VAL 32 N -3.56 0.86 -0.12 2.92 1.01 0.08 -0.99 120.40 120.60 3i4m s VAL 32 Ca 0.35 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 3i4m s VAL 32 Cb 0.06 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3i4m s VAL 32 CO 0.16 -0.26 0.41 -0.63 0.00 0.00 0.00 175.10 174.78 3i4m s ILE 33 N 1.69 5.21 -0.38 2.22 1.01 0.58 -1.74 121.20 129.79 3i4m s ILE 33 Ca -0.01 0.80 -0.13 0.00 0.00 0.00 0.00 60.65 61.31 3i4m s ILE 33 Cb -0.18 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.56 3i4m s ILE 33 CO -0.10 0.37 0.26 -0.89 0.00 0.00 0.00 174.94 174.58 3i4m s THR 34 N 0.39 5.11 -0.45 2.92 2.01 0.29 0.27 115.64 126.17 3i4m s THR 34 Ca 0.22 -0.57 -0.22 0.00 0.31 0.00 0.00 61.69 61.43 3i4m s THR 34 Cb -0.15 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.61 3i4m s THR 34 CO 0.08 -0.20 0.75 -0.36 -0.69 0.00 0.00 174.62 174.20 3i4m s PHE 35 N 1.66 3.01 0.31 4.92 0.40 -0.20 -2.99 117.98 125.09 3i4m s PHE 35 Ca 0.05 0.07 -0.19 0.00 -0.60 0.00 0.00 56.93 56.26 3i4m s PHE 35 Cb -0.19 -3.59 -0.09 0.00 0.51 0.00 0.00 43.02 39.67 3i4m s PHE 35 CO 0.09 -0.97 0.80 -1.21 0.70 0.00 0.00 175.22 174.63 3i4m s GLU 36 N 3.16 4.19 -1.03 0.44 0.41 0.41 -2.60 118.70 123.68 3i4m s GLU 36 Ca 0.27 0.89 -0.17 0.00 -0.41 0.00 0.00 54.97 55.55 3i4m s GLU 36 Cb -0.13 -2.57 0.01 0.00 -1.78 0.00 0.00 34.13 29.67 3i4m s GLU 36 CO 0.21 0.21 0.69 1.63 -0.49 0.00 0.00 175.26 177.52 3i4m n LYS 37 N 0.02 -1.02 -1.81 1.61 4.76 -0.64 -4.79 118.16 116.29 3i4m n LYS 37 Ca 0.02 0.53 -0.03 0.00 -2.87 0.00 0.00 58.31 55.96 3i4m n LYS 37 Cb 0.52 -3.21 0.00 0.00 -1.84 0.00 0.00 35.03 30.51 3i4m n LYS 37 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i4m n GLU 38 N -3.76 0.26 -0.47 1.97 -0.58 -1.19 -4.66 120.64 112.22 3i4m n GLU 38 Ca -0.16 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 55.98 3i4m n GLU 38 Cb 0.61 0.70 0.00 0.00 -0.57 0.00 0.00 31.44 32.18 3i4m n GLU 38 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3i4m n ASP 39 N -1.33 0.00 -0.28 1.62 5.75 -1.26 -2.55 116.55 118.49 3i4m n ASP 39 Ca -0.02 -0.31 0.07 0.00 -0.01 0.00 0.00 54.79 54.53 3i4m n ASP 39 Cb 0.15 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.47 3i4m n ASP 39 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3i4m h HIS 40 N 0.31 0.66 -0.65 2.11 3.86 -1.95 0.95 115.15 120.44 3i4m h HIS 40 Ca 0.00 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.30 3i4m h HIS 40 Cb 0.00 -0.17 -0.08 0.00 1.06 0.00 0.00 27.41 28.22 3i4m h HIS 40 CO 0.00 0.11 -0.38 2.41 0.86 0.00 0.00 177.93 180.92 3i4m n THR 41 N -4.94 -0.44 -0.07 2.45 -1.04 -1.26 -2.07 114.28 106.91 3i4m n THR 41 Ca 0.17 1.75 -0.13 0.00 -2.04 0.00 0.00 64.05 63.80 3i4m n THR 41 Cb 0.46 -2.19 -0.11 0.00 -1.82 0.00 0.00 70.33 66.68 3i4m n THR 41 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3i4m h LEU 42 N 0.00 0.00 0.00 -4.42 6.46 -1.68 -3.40 115.31 112.27 3i4m h LEU 42 Ca 0.10 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.12 3i4m h LEU 42 Cb 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 3i4m h LEU 42 CO -0.61 1.02 0.00 0.61 -0.62 0.00 0.00 178.44 178.84 3i4m n GLY 43 N 1.60 -3.53 0.28 3.75 0.00 0.32 -2.48 105.19 105.13 3i4m n GLY 43 Ca -0.13 0.65 0.22 0.00 0.00 0.00 0.00 46.02 46.76 3i4m n GLY 43 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i4m n ASN 44 N -1.07 0.14 -0.07 1.61 5.15 -0.88 -0.17 115.26 119.97 3i4m n ASN 44 Ca 0.00 1.44 -0.11 0.00 -0.60 0.00 0.00 54.58 55.32 3i4m n ASN 44 Cb 0.00 -0.63 -0.04 0.00 -0.53 0.00 0.00 39.78 38.58 3i4m n ASN 44 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3i4m h LEU 45 N 0.00 0.33 -0.94 1.20 5.85 -1.69 0.20 115.31 120.25 3i4m h LEU 45 Ca 0.65 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.18 3i4m h LEU 45 Cb 1.60 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.55 3i4m h LEU 45 CO -0.72 0.43 0.00 0.40 -0.34 0.00 0.00 178.44 178.21 3i4m h ILE 46 N 0.20 0.00 0.06 4.05 2.04 -0.24 -1.61 117.51 122.01 3i4m h ILE 46 Ca 0.07 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 3i4m h ILE 46 Cb 0.22 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3i4m h ILE 46 CO -0.00 0.00 -0.03 -0.09 0.00 0.00 0.00 178.15 178.03 3i4m h ARG 47 N 0.00 -0.08 0.00 2.37 1.12 -0.45 -2.79 114.38 114.56 3i4m h ARG 47 Ca 0.00 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 3i4m h ARG 47 Cb 0.48 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 3i4m h ARG 47 CO 0.00 0.27 0.00 0.00 -3.11 0.00 0.00 179.97 177.13 3i4m n ALA 48 N -2.70 -0.13 -0.29 2.80 0.00 0.63 -0.74 120.51 120.08 3i4m n ALA 48 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.47 3i4m n ALA 48 Cb 0.19 0.30 0.19 0.00 0.00 0.00 0.00 19.45 20.12 3i4m n ALA 48 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i4m h GLU 49 N 0.00 0.06 -0.20 0.00 4.39 -1.47 1.90 114.58 119.25 3i4m h GLU 49 Ca 0.00 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.75 3i4m h GLU 49 Cb 0.00 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3i4m h GLU 49 CO 0.00 0.04 0.16 1.25 -1.16 0.00 0.00 179.01 179.30 3i4m h LEU 50 N 0.06 0.00 -1.31 1.33 6.46 -1.15 -0.20 115.31 120.49 3i4m h LEU 50 Ca 0.47 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.23 3i4m h LEU 50 Cb 0.85 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 3i4m h LEU 50 CO -0.79 0.00 0.00 -0.11 -0.62 0.00 0.00 178.44 176.92 3i4m n LEU 51 N -4.26 1.59 -0.04 2.25 7.94 0.64 -3.16 117.00 121.96 3i4m n LEU 51 Ca 0.02 -0.80 -0.06 0.00 -1.11 0.00 0.00 56.01 54.06 3i4m n LEU 51 Cb 0.30 -0.52 -0.05 0.00 0.53 0.00 0.00 43.42 43.67 3i4m n LEU 51 CO 0.33 0.30 -0.79 0.59 -1.11 0.00 0.00 177.39 176.70 3i4m n ASN 52 N 0.08 3.16 -4.52 1.96 3.02 -0.09 -4.92 115.26 113.94 3i4m n ASN 52 Ca 0.03 -0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 3i4m n ASN 52 Cb 0.37 0.22 -0.07 0.00 -0.61 0.00 0.00 39.78 39.68 3i4m n ASN 52 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i4m n ASP 53 N -2.57 1.67 0.29 6.41 -0.08 -1.19 -4.73 116.55 116.35 3i4m n ASP 53 Ca -0.15 -0.15 0.12 0.00 -1.51 0.00 0.00 54.79 53.09 3i4m n ASP 53 Cb 0.72 -1.33 0.66 0.00 2.34 0.00 0.00 41.12 43.51 3i4m n ASP 53 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3i4m h ARG 54 N 16.16 0.00 -0.58 -0.67 2.47 -1.91 0.50 114.38 130.35 3i4m h ARG 54 Ca -0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 3i4m h ARG 54 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 3i4m h ARG 54 CO 1.21 0.00 0.00 1.63 0.56 0.00 0.00 179.97 183.37 3i4m n LYS 55 N -2.63 2.58 -3.64 0.04 5.02 -1.26 -4.78 118.16 113.49 3i4m n LYS 55 Ca -0.02 -1.68 -0.40 0.00 -2.02 0.00 0.00 58.31 54.19 3i4m n LYS 55 Cb 0.37 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 3i4m n LYS 55 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i4m s VAL 56 N -1.69 4.34 0.01 -0.18 1.01 0.17 -1.38 120.40 122.68 3i4m s VAL 56 Ca 0.30 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 3i4m s VAL 56 Cb 0.19 -3.45 -0.18 0.00 0.00 0.00 0.00 36.38 32.95 3i4m s VAL 56 CO 0.15 -0.24 1.31 -0.07 0.00 0.00 0.00 175.10 176.25 3i4m h LEU 57 N 8.38 0.14 -8.13 3.92 3.38 -0.79 -3.46 115.31 118.75 3i4m h LEU 57 Ca -0.25 -0.47 -0.30 0.00 0.09 0.00 0.00 57.88 56.96 3i4m h LEU 57 Cb 1.10 -0.04 -0.23 0.00 0.09 0.00 0.00 40.66 41.58 3i4m h LEU 57 CO 0.66 0.58 -0.74 0.12 0.09 0.00 0.00 178.44 179.15 3i4m s PHE 58 N -4.34 0.68 -0.30 1.13 5.36 -0.73 -4.93 117.98 114.85 3i4m s PHE 58 Ca -0.15 -0.41 -0.11 0.00 -0.96 0.00 0.00 56.93 55.29 3i4m s PHE 58 Cb 0.03 -0.41 0.16 0.00 -0.34 0.00 0.00 43.02 42.46 3i4m s PHE 58 CO 0.70 -0.06 0.84 0.00 -1.46 0.00 0.00 175.22 175.24 3i4m s ALA 59 N -1.11 -2.51 0.20 11.12 0.00 -1.24 -0.81 121.76 127.40 3i4m s ALA 59 Ca -0.07 2.06 -0.23 0.00 0.00 0.00 0.00 51.96 53.73 3i4m s ALA 59 Cb -0.08 -2.02 0.05 0.00 0.00 0.00 0.00 23.12 21.06 3i4m s ALA 59 CO 0.00 -1.04 0.73 0.00 0.00 0.00 0.00 175.76 175.45 3i4m s ALA 60 N 2.70 -1.46 0.20 0.00 0.00 -0.98 -4.96 121.76 117.26 3i4m s ALA 60 Ca -0.01 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3i4m s ALA 60 Cb -0.10 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 3i4m s ALA 60 CO -0.18 -0.92 0.21 2.48 0.00 0.00 0.00 175.76 177.35 3i4m n TYR 61 N -0.42 -0.66 -3.65 0.00 -0.00 -1.26 -1.29 117.16 109.88 3i4m n TYR 61 Ca -0.09 -1.56 -0.01 0.00 -0.00 0.00 0.00 57.90 56.24 3i4m n TYR 61 Cb 0.61 0.22 -0.07 0.00 -0.00 0.00 0.00 39.34 40.11 3i4m n TYR 61 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.86 175.27 3i4m s LYS 62 N -2.69 0.07 -0.34 -3.48 -2.85 -0.80 -4.98 119.74 104.68 3i4m s LYS 62 Ca 0.21 0.11 -0.23 0.00 -1.00 0.00 0.00 55.97 55.06 3i4m s LYS 62 Cb 0.01 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.81 3i4m s LYS 62 CO 0.15 -0.01 0.75 0.14 0.10 0.00 0.00 175.35 176.48 3i4m s VAL 63 N 0.49 4.78 0.21 1.79 -7.23 -1.26 -1.37 120.40 117.82 3i4m s VAL 63 Ca 0.00 0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 60.96 3i4m s VAL 63 Cb -0.04 -4.16 0.25 0.00 0.56 0.00 0.00 36.38 32.99 3i4m s VAL 63 CO -0.13 -0.35 1.62 -0.33 -0.31 0.00 0.00 175.10 175.60 3i4m h GLU 64 N 8.36 0.00 -1.44 4.82 4.39 -1.86 -3.43 114.58 125.42 3i4m h GLU 64 Ca -0.25 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.57 3i4m h GLU 64 Cb 1.10 -0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.48 3i4m h GLU 64 CO 0.89 0.00 0.35 -1.58 -1.16 0.00 0.00 179.01 177.51 3i4m s HIS 65 N -6.23 -0.60 0.27 4.33 5.04 -1.26 -5.05 115.29 111.79 3i4m s HIS 65 Ca -0.14 1.16 0.19 0.00 -1.54 0.00 0.00 55.06 54.72 3i4m s HIS 65 Cb 0.20 0.36 0.94 0.00 0.04 0.00 0.00 32.58 34.11 3i4m s HIS 65 CO 0.74 -0.30 1.01 -0.35 -2.34 0.00 0.00 174.74 173.50 3i4m n PRO 66 N 3.95 -0.03 0.29 2.88 -0.04 -1.26 0.66 135.00 141.45 3i4m n PRO 66 Ca -0.17 0.83 0.17 0.00 -0.04 0.00 0.00 63.50 64.29 3i4m n PRO 66 Cb 0.57 -1.60 0.84 0.00 -0.04 0.00 0.00 33.50 33.27 3i4m n PRO 66 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3i4m h PHE 67 N 0.00 0.00 -3.27 0.54 0.05 -2.00 -3.42 116.94 108.85 3i4m h PHE 67 Ca 0.56 0.00 -0.66 0.00 3.82 0.00 0.00 57.97 61.69 3i4m h PHE 67 Cb 1.74 0.00 -0.30 0.00 2.00 0.00 0.00 35.95 39.38 3i4m h PHE 67 CO -0.00 0.06 -0.78 -0.06 -0.18 0.00 0.00 178.31 177.34 3i4m s PHE 68 N -4.04 2.87 -0.86 -0.55 2.99 0.21 -5.05 117.98 113.55 3i4m s PHE 68 Ca -0.02 -1.17 -0.25 0.00 0.00 0.00 0.00 56.93 55.48 3i4m s PHE 68 Cb 0.12 -2.00 -0.02 0.00 0.00 0.00 0.00 43.02 41.11 3i4m s PHE 68 CO 0.53 -0.61 1.80 0.00 -0.00 0.00 0.00 175.22 176.94 3i4m s ALA 69 N 1.28 2.01 -0.09 5.36 0.00 -1.26 -4.59 121.76 124.47 3i4m s ALA 69 Ca 0.03 -1.48 -0.32 0.00 0.00 0.00 0.00 51.96 50.19 3i4m s ALA 69 Cb -0.14 -4.49 0.13 0.00 0.00 0.00 0.00 23.12 18.62 3i4m s ALA 69 CO -0.06 -4.34 1.26 -0.98 0.00 0.00 0.00 175.76 171.64 3i4m s ARG 70 N 6.57 0.35 -0.22 0.00 1.70 -1.06 -1.61 118.95 124.69 3i4m s ARG 70 Ca 0.63 -0.17 -0.28 0.00 -0.47 0.00 0.00 55.73 55.44 3i4m s ARG 70 Cb -0.07 0.13 0.13 0.00 -0.57 0.00 0.00 34.95 34.58 3i4m s ARG 70 CO 0.02 -0.16 1.03 -0.59 -1.08 0.00 0.00 175.30 174.53 3i4m s PHE 71 N -2.41 -0.40 -0.14 5.89 -0.12 -1.07 -3.96 117.98 115.77 3i4m s PHE 71 Ca 0.12 0.83 -0.09 0.00 -0.05 0.00 0.00 56.93 57.74 3i4m s PHE 71 Cb 0.02 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 3i4m s PHE 71 CO -0.04 -0.28 0.17 0.15 -0.05 0.00 0.00 175.22 175.17 3i4m s LYS 72 N -0.50 3.77 -0.17 1.99 1.02 -0.47 -1.03 119.74 124.35 3i4m s LYS 72 Ca 0.01 -0.09 -0.01 0.00 0.02 0.00 0.00 55.97 55.90 3i4m s LYS 72 Cb -0.03 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 3i4m s LYS 72 CO -0.02 0.58 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.68 3i4m s LEU 73 N -0.50 2.51 -0.23 3.17 2.96 0.14 -1.90 118.68 124.84 3i4m s LEU 73 Ca 0.14 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.51 3i4m s LEU 73 Cb -0.12 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3i4m s LEU 73 CO 0.03 0.05 0.02 -0.60 -1.32 0.00 0.00 176.35 174.53 3i4m s ARG 74 N 1.02 3.57 -0.08 1.98 3.52 -0.41 -0.31 118.95 128.24 3i4m s ARG 74 Ca -0.01 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 3i4m s ARG 74 Cb -0.15 -3.18 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 3i4m s ARG 74 CO -0.03 -0.15 -0.12 0.42 -0.81 0.00 0.00 175.30 174.61 3i4m s ILE 75 N 1.44 1.22 0.04 4.11 1.01 -0.16 -2.33 121.20 126.53 3i4m s ILE 75 Ca 0.05 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.28 3i4m s ILE 75 Cb -0.15 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 3i4m s ILE 75 CO 0.01 0.38 -0.20 -1.58 0.00 0.00 0.00 174.94 173.55 3i4m s GLN 76 N 0.91 1.99 0.05 2.79 0.74 0.01 0.07 119.66 126.21 3i4m s GLN 76 Ca -0.10 -1.02 -0.02 0.00 0.05 0.00 0.00 55.36 54.27 3i4m s GLN 76 Cb -0.15 -2.13 -0.03 0.00 1.10 0.00 0.00 33.01 31.80 3i4m s GLN 76 CO 0.01 0.53 0.01 0.95 -0.55 0.00 0.00 175.29 176.24 3i4m s THR 77 N -0.90 0.19 -0.12 -0.34 -4.23 -1.16 -0.08 115.64 109.01 3i4m s THR 77 Ca 0.14 -1.59 -0.36 0.00 -1.18 0.00 0.00 61.69 58.70 3i4m s THR 77 Cb -0.10 -1.33 -0.13 0.00 1.34 0.00 0.00 72.50 72.27 3i4m s THR 77 CO 0.04 -0.88 1.79 0.41 -0.54 0.00 0.00 174.62 175.45 3i4m n THR 78 N 0.27 0.42 -1.09 3.99 -1.04 -0.48 -4.75 114.28 111.60 3i4m n THR 78 Ca -0.15 -0.08 -0.37 0.00 -2.04 0.00 0.00 64.05 61.41 3i4m n THR 78 Cb 0.60 -1.60 0.04 0.00 -1.82 0.00 0.00 70.33 67.56 3i4m n THR 78 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3i4m n GLU 79 N 5.80 0.02 0.00 -2.82 2.13 -1.26 -1.44 120.64 123.07 3i4m n GLU 79 Ca 0.23 0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3i4m n GLU 79 Cb 0.24 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.74 3i4m n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i4m n GLY 80 N 2.74 2.89 3.21 8.31 0.00 -1.26 -4.94 105.19 116.13 3i4m n GLY 80 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3i4m n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i4m s TYR 81 N -2.65 3.20 -0.15 1.61 6.04 -0.52 -5.07 117.35 119.82 3i4m s TYR 81 Ca 0.00 -1.65 -0.29 0.00 0.04 0.00 0.00 57.07 55.17 3i4m s TYR 81 Cb 0.00 -2.13 -0.02 0.00 -1.04 0.00 0.00 41.96 38.78 3i4m s TYR 81 CO 0.00 -0.75 1.27 0.34 -1.54 0.00 0.00 175.55 174.87 3i4m s ASP 82 N 1.31 6.95 0.38 4.32 -1.08 -1.26 -4.58 116.67 122.71 3i4m s ASP 82 Ca -0.03 1.73 0.18 0.00 -0.52 0.00 0.00 52.55 53.91 3i4m s ASP 82 Cb -0.19 -2.54 1.10 0.00 -1.46 0.00 0.00 42.92 39.83 3i4m s ASP 82 CO -0.01 -0.74 1.74 1.55 0.52 0.00 0.00 175.17 178.22 3i4m h PRO 83 N 8.15 0.38 -0.65 4.34 0.13 -1.93 0.17 132.00 142.59 3i4m h PRO 83 Ca -0.28 -0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.95 3i4m h PRO 83 Cb 1.11 -0.09 -0.12 0.00 0.13 0.00 0.00 31.00 32.03 3i4m h PRO 83 CO 0.96 0.25 -0.27 0.87 -0.23 0.00 0.00 178.00 179.58 3i4m h LYS 84 N 0.39 -0.09 -0.14 0.86 1.57 -1.95 0.18 116.57 117.40 3i4m h LYS 84 Ca 0.64 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.45 3i4m h LYS 84 Cb 1.58 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.88 3i4m h LYS 84 CO -0.36 -0.06 -0.05 -0.44 -0.57 0.00 0.00 179.45 177.97 3i4m h ASP 85 N -0.09 -0.16 -1.01 0.86 3.32 -1.05 -1.36 116.42 116.92 3i4m h ASP 85 Ca 0.28 0.05 0.29 0.00 0.02 0.00 0.00 57.03 57.67 3i4m h ASP 85 Cb 0.54 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 3i4m h ASP 85 CO -0.70 -0.06 0.72 0.00 -1.72 0.00 0.00 179.24 177.48 3i4m h ALA 86 N 1.12 2.93 -0.05 3.45 0.00 -0.61 0.76 119.26 126.85 3i4m h ALA 86 Ca 0.07 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3i4m h ALA 86 Cb 0.13 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i4m h ALA 86 CO -0.16 -1.22 -0.65 1.25 0.00 0.00 0.00 179.25 178.47 3i4m h LEU 87 N 0.02 0.66 0.14 0.00 5.85 -0.17 -1.27 115.31 120.54 3i4m h LEU 87 Ca 0.48 -0.70 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3i4m h LEU 87 Cb 1.90 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 3i4m h LEU 87 CO -0.02 1.27 -0.24 0.11 -0.34 0.00 0.00 178.44 179.23 3i4m h LYS 88 N 0.12 -0.43 0.00 1.25 1.57 0.10 0.66 116.57 119.84 3i4m h LYS 88 Ca -0.07 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3i4m h LYS 88 Cb 1.33 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.73 3i4m h LYS 88 CO 0.13 -0.29 0.00 0.09 -0.57 0.00 0.00 179.45 178.81 3i4m n ASN 89 N -5.36 0.00 0.07 0.86 3.02 0.19 -0.47 115.26 113.58 3i4m n ASN 89 Ca -0.07 0.87 0.16 0.00 -0.03 0.00 0.00 54.58 55.51 3i4m n ASN 89 Cb 0.27 -0.37 0.37 0.00 -0.61 0.00 0.00 39.78 39.44 3i4m n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4m h ALA 90 N -1.84 2.34 0.03 5.41 0.00 -1.26 0.28 119.26 124.23 3i4m h ALA 90 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i4m h ALA 90 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i4m h ALA 90 CO 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 179.25 178.04 3i4m h ASN 92 N -0.15 0.14 -0.94 0.00 2.35 0.94 0.56 115.58 118.47 3i4m h ASN 92 Ca -0.00 0.16 0.28 0.00 -0.55 0.00 0.00 56.30 56.18 3i4m h ASN 92 Cb 0.03 0.18 -0.16 0.00 0.05 0.00 0.00 38.32 38.43 3i4m h ASN 92 CO 0.01 -0.04 0.24 -1.28 -1.65 0.00 0.00 177.43 174.71 3i4m h SER 93 N 0.32 -0.06 0.16 5.81 0.87 -0.64 0.55 113.55 120.56 3i4m h SER 93 Ca 0.49 0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 61.28 3i4m h SER 93 Cb 0.90 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3i4m h SER 93 CO -0.54 -0.26 -0.08 0.40 -0.53 0.00 0.00 176.83 175.82 3i4m h ILE 94 N 0.12 0.92 -0.22 2.23 2.04 0.22 -1.66 117.51 121.16 3i4m h ILE 94 Ca 0.63 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 66.20 3i4m h ILE 94 Cb 1.37 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 3i4m h ILE 94 CO -0.75 0.08 -0.12 0.40 0.00 0.00 0.00 178.15 177.75 3i4m h ILE 95 N -0.37 0.63 -0.40 -0.67 2.04 0.13 0.25 117.51 119.11 3i4m h ILE 95 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3i4m h ILE 95 Cb 0.29 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 3i4m h ILE 95 CO 0.04 0.00 -0.07 0.78 0.00 0.00 0.00 178.15 178.90 3i4m h ASN 96 N -0.10 -0.31 0.24 1.72 2.35 -0.45 0.88 115.58 119.91 3i4m h ASN 96 Ca 0.12 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3i4m h ASN 96 Cb 0.28 0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 3i4m h ASN 96 CO -0.28 -0.11 -0.32 0.11 -1.65 0.00 0.00 177.43 175.17 3i4m h LYS 97 N 0.03 -0.60 -0.16 0.81 1.57 -0.29 -1.58 116.57 116.35 3i4m h LYS 97 Ca 0.20 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 3i4m h LYS 97 Cb 0.29 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 3i4m h LYS 97 CO -0.39 -0.40 -0.52 -0.07 -0.57 0.00 0.00 179.45 177.49 3i4m h LEU 98 N -0.63 -1.67 -0.63 2.94 3.38 0.63 0.17 115.31 119.50 3i4m h LEU 98 Ca 0.00 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3i4m h LEU 98 Cb 0.60 0.66 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 3i4m h LEU 98 CO -0.11 -0.46 -0.44 1.23 0.09 0.00 0.00 178.44 178.76 3i4m h GLY 99 N -0.54 -1.30 -0.35 0.83 0.00 0.97 1.10 103.07 103.77 3i4m h GLY 99 Ca 0.03 0.86 0.04 0.00 0.00 0.00 0.00 47.33 48.27 3i4m h GLY 99 CO -0.44 -0.24 -0.51 0.00 0.00 0.00 0.00 176.54 175.35 3i4m h ALA 100 N -0.00 -0.76 -0.79 3.60 0.00 -0.66 0.83 119.26 121.48 3i4m h ALA 100 Ca 0.10 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.19 3i4m h ALA 100 Cb 0.34 1.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.10 3i4m h ALA 100 CO -0.64 -1.00 0.20 1.25 0.00 0.00 0.00 179.25 179.07 3i4m h LEU 101 N -0.38 0.02 0.55 0.00 6.46 0.22 0.14 115.31 122.32 3i4m h LEU 101 Ca 0.06 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 3i4m h LEU 101 Cb 0.55 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 3i4m h LEU 101 CO -0.54 -0.07 -0.44 0.50 -0.62 0.00 0.00 178.44 177.27 3i4m h LYS 102 N 0.26 -0.92 -0.38 1.25 3.64 0.30 -0.37 116.57 120.35 3i4m h LYS 102 Ca 0.46 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.94 3i4m h LYS 102 Cb 0.84 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 3i4m h LYS 102 CO -0.56 -0.62 -0.22 1.15 -2.27 0.00 0.00 179.45 176.93 3i4m h THR 103 N -0.96 0.00 -0.94 1.00 2.02 0.99 0.02 112.91 115.05 3i4m h THR 103 Ca -0.07 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.33 3i4m h THR 103 Cb 0.80 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 3i4m h THR 103 CO 0.00 0.00 0.62 0.78 0.37 0.00 0.00 175.52 177.29 3i4m h ASN 104 N -0.00 0.41 0.26 4.18 4.21 -0.71 0.37 115.58 124.29 3i4m h ASN 104 Ca 0.06 0.05 -0.14 0.00 1.21 0.00 0.00 56.30 57.48 3i4m h ASN 104 Cb 0.16 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 3i4m h ASN 104 CO -0.36 0.15 -0.53 0.15 -1.29 0.00 0.00 177.43 175.55 3i4m h PHE 105 N 0.40 0.38 -0.07 1.19 3.57 0.74 -1.92 116.94 121.24 3i4m h PHE 105 Ca 0.50 -0.13 -0.18 0.00 3.53 0.00 0.00 57.97 61.69 3i4m h PHE 105 Cb 1.25 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 3i4m h PHE 105 CO -0.00 0.77 -0.72 0.93 -2.23 0.00 0.00 178.31 177.06 3i4m h GLU 106 N 0.24 0.34 0.41 1.11 5.08 0.90 -1.68 114.58 120.98 3i4m h GLU 106 Ca 0.01 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3i4m h GLU 106 Cb 1.02 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3i4m h GLU 106 CO 0.09 0.92 -0.23 1.15 -1.00 0.00 0.00 179.01 179.94 3i4m h THR 107 N 0.23 0.00 -0.89 1.13 2.02 -0.29 0.59 112.91 115.70 3i4m h THR 107 Ca -0.03 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.36 3i4m h THR 107 Cb 1.29 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.58 3i4m h THR 107 CO 0.12 0.00 0.41 -0.33 0.37 0.00 0.00 175.52 176.09 3i4m h GLU 108 N -0.59 0.44 -0.10 6.66 4.39 -1.40 -2.32 114.58 121.65 3i4m h GLU 108 Ca -0.06 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3i4m h GLU 108 Cb 0.46 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3i4m h GLU 108 CO 0.07 0.29 -0.01 2.35 -1.16 0.00 0.00 179.01 180.56 3i4m h TRP 109 N 0.45 0.20 0.00 4.33 2.91 -1.13 -2.62 115.95 120.09 3i4m h TRP 109 Ca 0.54 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.53 3i4m h TRP 109 Cb 0.99 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.59 3i4m h TRP 109 CO -0.12 0.45 0.00 0.09 -1.03 0.00 0.00 178.44 177.83 3i4m n ASN 110 N -4.80 0.02 -1.29 2.65 3.02 0.18 -0.98 115.26 114.07 3i4m n ASN 110 Ca -0.06 -0.49 0.01 0.00 -0.03 0.00 0.00 54.58 54.00 3i4m n ASN 110 Cb 0.21 -0.01 0.11 0.00 -0.61 0.00 0.00 39.78 39.48 3i4m n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i4m n LEU 111 N -0.42 2.40 -4.57 3.41 4.77 -0.99 -5.07 117.00 116.53 3i4m n LEU 111 Ca 0.00 -3.36 -0.26 0.00 -0.03 0.00 0.00 56.01 52.35 3i4m n LEU 111 Cb 0.01 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 40.74 3i4m n LEU 111 CO 0.00 1.20 -0.29 -1.10 -1.33 0.00 0.00 177.39 175.87 3i4m s GLN 112 N -2.36 1.88 -0.22 3.23 -1.52 -0.15 -5.04 119.66 115.47 3i4m s GLN 112 Ca 0.38 -2.05 -0.27 0.00 -1.95 0.00 0.00 55.36 51.46 3i4m s GLN 112 Cb 0.38 -1.45 0.12 0.00 -0.22 0.00 0.00 33.01 31.83 3i4m s GLN 112 CO -0.08 -0.08 0.98 0.99 -0.25 0.00 0.00 175.29 176.85 3i4m s THR 113 N -2.85 0.00 -0.27 -0.19 2.01 -1.26 -5.11 115.64 107.97 3i4m s THR 113 Ca 0.35 0.00 -0.32 0.00 0.31 0.00 0.00 61.69 62.03 3i4m s THR 113 Cb 0.09 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.78 3i4m s THR 113 CO 0.17 0.00 1.32 -0.22 -0.69 0.00 0.00 174.62 175.21 3i4m s LEU 114 N -0.34 -0.06 -0.37 4.42 0.20 -1.26 -5.14 118.68 116.13 3i4m s LEU 114 Ca 0.00 0.05 -0.04 0.00 0.69 0.00 0.00 54.13 54.83 3i4m s LEU 114 Cb -0.03 1.16 0.08 0.00 -0.43 0.00 0.00 46.19 46.96 3i4m s LEU 114 CO -0.02 -0.07 0.14 0.00 -0.29 0.00 0.00 176.35 176.11 3i4m s ALA 115 N -1.43 3.07 0.00 5.97 0.00 -1.26 -5.35 121.76 122.76 3i4m s ALA 115 Ca 0.09 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.93 3i4m s ALA 115 Cb -0.01 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.81 3i4m s ALA 115 CO -0.06 -1.55 0.00 0.00 0.00 0.00 0.00 175.76 174.16