#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m n SER 2 N 0.00 0.00 -4.00 6.12 3.41 -1.26 -4.92 113.62 112.97 3i4m n SER 2 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 3i4m n SER 2 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3i4m n SER 2 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3i4m s ASN 3 N 0.00 0.31 1.35 4.04 0.01 -1.26 -4.49 114.94 114.89 3i4m s ASN 3 Ca 0.00 -0.72 -0.20 0.00 -0.71 0.00 0.00 52.86 51.23 3i4m s ASN 3 Cb 0.00 0.20 0.34 0.00 0.41 0.00 0.00 41.25 42.20 3i4m s ASN 3 CO 0.00 -0.52 0.97 -0.89 -1.51 0.00 0.00 177.10 175.15 3i4m s THR 4 N -2.98 1.41 0.00 1.60 2.01 -1.26 -4.42 115.64 112.00 3i4m s THR 4 Ca -0.02 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.98 3i4m s THR 4 Cb 0.01 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.39 3i4m s THR 4 CO -0.06 0.00 0.42 0.18 -0.69 0.00 0.00 174.62 174.46 3i4m n LEU 5 N -5.39 0.00 0.00 4.42 4.77 0.12 -4.90 117.00 116.01 3i4m n LEU 5 Ca 0.11 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 3i4m n LEU 5 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3i4m n LEU 5 CO 0.46 0.47 0.00 0.33 -1.33 0.00 0.00 177.39 177.32 3i4m n PHE 6 N 0.00 0.00 -3.85 -1.77 7.35 -1.11 -4.12 117.46 113.96 3i4m n PHE 6 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 3i4m n PHE 6 Cb 0.54 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.23 3i4m n PHE 6 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3i4m s ASP 7 N 0.00 -0.07 0.01 -2.13 -1.08 -1.26 -1.58 116.67 110.56 3i4m s ASP 7 Ca 0.00 0.13 -0.28 0.00 -0.52 0.00 0.00 52.55 51.89 3i4m s ASP 7 Cb 0.00 0.14 0.09 0.00 -1.46 0.00 0.00 42.92 41.69 3i4m s ASP 7 CO 0.00 -0.02 1.25 -0.62 0.52 0.00 0.00 175.17 176.29 3i4m s ASP 8 N 0.04 0.00 -0.05 -0.34 2.15 -1.21 -5.01 116.67 112.25 3i4m s ASP 8 Ca -0.00 -0.27 -0.04 0.00 0.43 0.00 0.00 52.55 52.67 3i4m s ASP 8 Cb -0.00 0.20 0.02 0.00 -0.30 0.00 0.00 42.92 42.83 3i4m s ASP 8 CO 0.00 -0.40 0.13 -0.63 -0.17 0.00 0.00 175.17 174.10 3i4m s ILE 9 N -2.05 -0.01 0.43 4.11 1.01 -1.26 -1.05 121.20 122.38 3i4m s ILE 9 Ca 0.28 0.03 0.03 0.00 0.00 0.00 0.00 60.65 61.00 3i4m s ILE 9 Cb -0.01 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.25 3i4m s ILE 9 CO 0.00 0.01 0.09 -0.36 0.00 0.00 0.00 174.94 174.68 3i4m s PHE 10 N 0.28 1.84 -0.05 3.97 0.40 -1.15 -2.88 117.98 120.39 3i4m s PHE 10 Ca -0.02 -1.15 0.01 0.00 -0.60 0.00 0.00 56.93 55.17 3i4m s PHE 10 Cb -0.03 -1.31 0.02 0.00 0.51 0.00 0.00 43.02 42.21 3i4m s PHE 10 CO -0.01 -0.11 -0.05 -1.14 0.70 0.00 0.00 175.22 174.62 3i4m s GLN 11 N -3.77 0.91 -0.38 0.44 0.74 -1.22 -2.54 119.66 113.85 3i4m s GLN 11 Ca 0.20 -0.12 -0.32 0.00 0.05 0.00 0.00 55.36 55.17 3i4m s GLN 11 Cb 0.03 -0.93 -0.10 0.00 1.10 0.00 0.00 33.01 33.11 3i4m s GLN 11 CO 0.11 -0.10 2.26 0.28 -0.55 0.00 0.00 175.29 177.30 3i4m n VAL 12 N 4.16 0.17 0.21 1.34 0.31 -1.24 -3.05 118.33 120.24 3i4m n VAL 12 Ca -0.22 -0.36 0.10 0.00 -0.01 0.00 0.00 64.34 63.84 3i4m n VAL 12 Cb 0.51 -1.92 0.40 0.00 -0.91 0.00 0.00 33.84 31.92 3i4m n VAL 12 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3i4m h SER 13 N 13.89 0.00 0.00 4.52 4.64 -0.21 0.98 113.55 137.38 3i4m h SER 13 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3i4m h SER 13 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3i4m h SER 13 CO 1.05 0.23 0.00 1.21 -0.87 0.00 0.00 176.83 178.45 3i4m n GLU 14 N -3.34 0.00 -4.66 4.77 2.13 -1.21 -4.90 120.64 113.43 3i4m n GLU 14 Ca 0.01 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 3i4m n GLU 14 Cb 0.47 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.05 3i4m n GLU 14 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i4m s VAL 15 N -2.00 3.01 -0.08 6.31 1.01 -1.26 -2.95 120.40 124.44 3i4m s VAL 15 Ca 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 3i4m s VAL 15 Cb 0.00 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.14 3i4m s VAL 15 CO 0.00 0.39 -0.05 -0.62 0.00 0.00 0.00 175.10 174.82 3i4m s ASP 16 N -1.32 1.64 -0.54 3.32 2.15 -0.83 -5.01 116.67 116.09 3i4m s ASP 16 Ca 0.15 -0.19 0.01 0.00 0.43 0.00 0.00 52.55 52.95 3i4m s ASP 16 Cb -0.11 -0.61 0.46 0.00 -0.30 0.00 0.00 42.92 42.36 3i4m s ASP 16 CO 0.05 -0.11 1.75 -0.81 -0.17 0.00 0.00 175.17 175.88 3i4m n PRO 17 N 4.67 2.98 -1.47 4.34 -0.04 -1.26 -1.20 135.00 143.02 3i4m n PRO 17 Ca -0.15 -3.58 -0.48 0.00 -0.04 0.00 0.00 63.50 59.25 3i4m n PRO 17 Cb 0.50 -2.28 -0.07 0.00 -0.04 0.00 0.00 33.50 31.62 3i4m n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i4m n GLY 18 N -0.86 0.46 2.19 0.55 0.00 -1.26 -2.06 105.19 104.21 3i4m n GLY 18 Ca 0.56 0.91 -0.15 0.00 0.00 0.00 0.00 46.02 47.34 3i4m n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4m n ARG 19 N 8.33 -1.37 -4.84 1.61 5.12 -1.26 -4.95 116.66 119.30 3i4m n ARG 19 Ca 0.41 0.90 -0.26 0.00 -1.93 0.00 0.00 57.85 56.98 3i4m n ARG 19 Cb 0.26 -5.20 -0.16 0.00 -1.16 0.00 0.00 32.46 26.21 3i4m n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3i4m s TYR 20 N -2.32 1.65 -1.24 -1.55 4.12 -0.87 -5.04 117.35 112.09 3i4m s TYR 20 Ca 0.00 -0.39 0.23 0.00 0.02 0.00 0.00 57.07 56.92 3i4m s TYR 20 Cb 0.00 -1.09 0.10 0.00 -1.52 0.00 0.00 41.96 39.45 3i4m s TYR 20 CO 0.00 -0.10 1.13 0.09 0.02 0.00 0.00 175.55 176.70 3i4m n ASN 21 N 2.90 1.04 -0.05 2.29 3.02 -1.26 -4.48 115.26 118.71 3i4m n ASN 21 Ca -0.16 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 3i4m n ASN 21 Cb 0.53 0.63 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 3i4m n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i4m n LYS 22 N -1.18 0.00 -3.96 3.52 5.02 -1.26 -4.97 118.16 115.33 3i4m n LYS 22 Ca 0.06 -0.42 -0.11 0.00 -2.02 0.00 0.00 58.31 55.82 3i4m n LYS 22 Cb 0.36 -0.38 -0.13 0.00 -0.02 0.00 0.00 35.03 34.86 3i4m n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i4m s VAL 23 N 0.00 0.15 -0.03 -0.18 1.01 -1.26 -1.78 120.40 118.30 3i4m s VAL 23 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3i4m s VAL 23 Cb 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.20 3i4m s VAL 23 CO 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 175.10 174.94 3i4m s ARG 25 N 1.69 4.26 0.43 0.00 3.52 -0.34 -0.19 118.95 128.31 3i4m s ARG 25 Ca -0.01 0.93 0.04 0.00 -0.13 0.00 0.00 55.73 56.56 3i4m s ARG 25 Cb -0.12 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.63 3i4m s ARG 25 CO -0.03 -0.35 0.03 0.42 -0.81 0.00 0.00 175.30 174.56 3i4m s ILE 26 N 2.23 1.41 -0.05 4.11 1.01 0.68 -1.96 121.20 128.62 3i4m s ILE 26 Ca 0.36 -2.00 -0.26 0.00 0.00 0.00 0.00 60.65 58.75 3i4m s ILE 26 Cb -0.16 -2.62 0.06 0.00 0.01 0.00 0.00 42.46 39.75 3i4m s ILE 26 CO 0.11 0.00 0.58 -1.61 0.00 0.00 0.00 174.94 174.02 3i4m s GLU 27 N -3.80 0.93 0.33 2.79 2.02 -1.15 -1.12 118.70 118.70 3i4m s GLU 27 Ca 0.25 0.19 -0.04 0.00 0.02 0.00 0.00 54.97 55.38 3i4m s GLU 27 Cb 0.06 0.44 0.00 0.00 0.10 0.00 0.00 34.13 34.73 3i4m s GLU 27 CO 0.12 -0.27 0.48 0.00 0.02 0.00 0.00 175.26 175.61 3i4m s ALA 28 N -1.11 0.59 0.48 5.21 0.00 -1.07 0.58 121.76 126.45 3i4m s ALA 28 Ca -0.11 -1.41 0.04 0.00 0.00 0.00 0.00 51.96 50.48 3i4m s ALA 28 Cb -0.02 1.13 0.04 0.00 0.00 0.00 0.00 23.12 24.28 3i4m s ALA 28 CO 0.08 -0.80 0.36 0.00 0.00 0.00 0.00 175.76 175.40 3i4m n ALA 29 N -0.53 0.75 -2.74 0.00 0.00 -1.17 -2.11 120.51 114.70 3i4m n ALA 29 Ca 0.00 -1.95 -0.34 0.00 0.00 0.00 0.00 53.44 51.16 3i4m n ALA 29 Cb 0.62 0.80 -0.08 0.00 0.00 0.00 0.00 19.45 20.79 3i4m n ALA 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i4m s SER 30 N -3.84 5.48 -0.60 0.00 0.15 -0.82 -3.37 113.70 110.70 3i4m s SER 30 Ca 0.27 0.13 -0.02 0.00 0.70 0.00 0.00 55.95 57.04 3i4m s SER 30 Cb -0.02 -1.55 0.34 0.00 -1.71 0.00 0.00 66.02 63.08 3i4m s SER 30 CO 0.17 0.31 2.10 0.41 1.20 0.00 0.00 173.24 177.44 3i4m n THR 31 N 1.53 3.40 0.00 6.45 -1.04 -1.14 -4.53 114.28 118.96 3i4m n THR 31 Ca -0.15 -2.88 0.00 0.00 -2.04 0.00 0.00 64.05 58.98 3i4m n THR 31 Cb 0.53 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 3i4m n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3i4m n THR 32 N -0.39 0.00 -1.71 12.58 -1.04 -1.26 -4.95 114.28 117.51 3i4m n THR 32 Ca 0.52 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 62.11 3i4m n THR 32 Cb 0.56 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.04 3i4m n THR 32 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3i4m s GLN 33 N 3.05 3.29 0.00 -2.82 0.74 -1.26 -4.77 119.66 117.89 3i4m s GLN 33 Ca 0.00 1.96 0.00 0.00 0.05 0.00 0.00 55.36 57.37 3i4m s GLN 33 Cb 0.00 -4.31 0.00 0.00 1.10 0.00 0.00 33.01 29.80 3i4m s GLN 33 CO 0.00 -1.92 0.71 -0.25 -0.55 0.00 0.00 175.29 173.29 3i4m n ASP 34 N 10.89 0.00 -0.26 6.67 8.00 -1.26 -0.64 116.55 139.95 3i4m n ASP 34 Ca 0.27 0.22 0.14 0.00 0.71 0.00 0.00 54.79 56.13 3i4m n ASP 34 Cb 0.45 -0.22 0.56 0.00 -0.02 0.00 0.00 41.12 41.89 3i4m n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4m n GLN 35 N -1.21 1.10 -3.10 -1.24 6.02 -1.26 -4.70 117.38 112.99 3i4m n GLN 35 Ca 0.00 -0.52 -0.45 0.00 -0.01 0.00 0.00 57.00 56.02 3i4m n GLN 35 Cb 0.01 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.76 3i4m n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4m s LYS 37 N 1.21 1.59 -0.22 0.00 1.02 -1.22 -1.94 119.74 120.18 3i4m s LYS 37 Ca 0.30 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 55.15 3i4m s LYS 37 Cb -0.07 -2.24 0.07 0.00 -0.52 0.00 0.00 37.83 35.08 3i4m s LYS 37 CO -0.07 -1.56 0.72 -1.17 -0.92 0.00 0.00 175.35 172.35 3i4m s LEU 38 N -5.27 -0.72 -0.03 3.17 2.96 -0.90 -3.31 118.68 114.59 3i4m s LEU 38 Ca 0.66 1.28 0.05 0.00 -0.22 0.00 0.00 54.13 55.90 3i4m s LEU 38 Cb -0.06 2.47 -0.01 0.00 0.50 0.00 0.00 46.19 49.10 3i4m s LEU 38 CO 0.46 -0.33 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.10 3i4m s THR 39 N 0.03 1.35 -0.30 3.68 2.01 0.12 -2.59 115.64 119.94 3i4m s THR 39 Ca -0.02 -0.70 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 3i4m s THR 39 Cb -0.04 -1.14 0.16 0.00 0.01 0.00 0.00 72.50 71.49 3i4m s THR 39 CO 0.03 0.39 1.02 -0.22 -0.69 0.00 0.00 174.62 175.14 3i4m s LEU 40 N -0.19 -0.48 0.83 4.42 2.96 -0.28 -0.90 118.68 125.05 3i4m s LEU 40 Ca 0.02 0.71 -0.12 0.00 -0.22 0.00 0.00 54.13 54.52 3i4m s LEU 40 Cb -0.09 1.62 0.09 0.00 0.50 0.00 0.00 46.19 48.31 3i4m s LEU 40 CO 0.01 -0.11 1.11 -1.81 -1.32 0.00 0.00 176.35 174.23 3i4m s ASP 41 N 1.81 4.17 -0.29 3.68 1.01 -1.09 -0.23 116.67 125.73 3i4m s ASP 41 Ca -0.06 1.22 -0.16 0.00 0.71 0.00 0.00 52.55 54.27 3i4m s ASP 41 Cb -0.04 -1.91 0.12 0.00 1.01 0.00 0.00 42.92 42.10 3i4m s ASP 41 CO -0.16 -2.16 0.86 -0.63 0.21 0.00 0.00 175.17 173.29 3i4m s ILE 42 N -3.18 -0.03 -0.43 0.77 1.01 0.73 -4.82 121.20 115.25 3i4m s ILE 42 Ca 0.62 0.00 -0.27 0.00 0.00 0.00 0.00 60.65 61.00 3i4m s ILE 42 Cb -0.15 -1.00 -0.06 0.00 0.01 0.00 0.00 42.46 41.27 3i4m s ILE 42 CO 0.54 0.00 2.27 0.21 0.00 0.00 0.00 174.94 177.96 3i4m s ASN 43 N 1.51 4.85 -0.13 3.58 3.84 -1.26 -1.80 114.94 125.54 3i4m s ASN 43 Ca -0.09 1.21 0.05 0.00 0.21 0.00 0.00 52.86 54.24 3i4m s ASN 43 Cb -0.04 -2.51 0.34 0.00 -0.55 0.00 0.00 41.25 38.49 3i4m s ASN 43 CO -0.17 -2.54 1.14 0.52 -2.79 0.00 0.00 177.10 173.26 3i4m n VAL 44 N 7.83 1.41 -0.01 -5.21 0.31 -0.73 -2.46 118.33 119.46 3i4m n VAL 44 Ca 0.33 -0.67 0.06 0.00 -0.01 0.00 0.00 64.34 64.04 3i4m n VAL 44 Cb 0.52 -0.50 -0.11 0.00 -0.91 0.00 0.00 33.84 32.84 3i4m n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i4m n GLU 45 N 0.14 0.58 -0.09 5.55 2.13 -1.26 -4.07 120.64 123.63 3i4m n GLU 45 Ca 0.16 -0.11 -0.10 0.00 0.66 0.00 0.00 57.16 57.76 3i4m n GLU 45 Cb 0.76 -1.33 -0.14 0.00 0.27 0.00 0.00 31.44 31.00 3i4m n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i4m n LEU 46 N -2.04 0.53 -3.32 4.31 4.77 -1.16 -4.84 117.00 115.26 3i4m n LEU 46 Ca -0.05 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 3i4m n LEU 46 Cb 0.43 0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.66 3i4m n LEU 46 CO 0.29 0.53 -0.18 0.12 -1.33 0.00 0.00 177.39 176.82 3i4m s PHE 47 N -2.45 -0.01 1.06 -1.77 5.36 -1.03 -5.06 117.98 114.09 3i4m s PHE 47 Ca -0.13 -1.23 -0.14 0.00 -0.96 0.00 0.00 56.93 54.47 3i4m s PHE 47 Cb 0.06 -0.51 0.13 0.00 -0.34 0.00 0.00 43.02 42.37 3i4m s PHE 47 CO 0.71 -0.95 0.50 -2.30 -1.46 0.00 0.00 175.22 171.72 3i4m n PRO 48 N 3.78 -1.28 -3.74 10.12 -0.02 -1.26 -4.41 135.00 138.20 3i4m n PRO 48 Ca 0.16 -0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.17 3i4m n PRO 48 Cb 0.46 -1.94 -0.10 0.00 -0.02 0.00 0.00 33.50 31.90 3i4m n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i4m s VAL 49 N -2.37 0.02 0.13 -1.45 1.01 -1.26 -5.03 120.40 111.44 3i4m s VAL 49 Ca 0.61 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.49 3i4m s VAL 49 Cb -0.19 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 3i4m s VAL 49 CO 0.65 -0.07 -0.10 0.00 0.00 0.00 0.00 175.10 175.58 3i4m s ALA 50 N -0.28 1.34 0.01 5.51 0.00 -1.26 -4.97 121.76 122.12 3i4m s ALA 50 Ca -0.04 -1.42 -0.36 0.00 0.00 0.00 0.00 51.96 50.14 3i4m s ALA 50 Cb -0.03 0.05 -0.14 0.00 0.00 0.00 0.00 23.12 23.00 3i4m s ALA 50 CO 0.02 -0.10 1.62 0.00 0.00 0.00 0.00 175.76 177.30 3i4m n ALA 51 N -0.04 0.44 -2.49 0.00 0.00 -1.26 -4.14 120.51 113.02 3i4m n ALA 51 Ca -0.12 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.69 3i4m n ALA 51 Cb 0.60 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 3i4m n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i4m n GLN 52 N 4.31 -4.41 -3.65 0.00 6.02 0.34 -4.87 117.38 115.12 3i4m n GLN 52 Ca 0.20 3.33 -0.11 0.00 -0.01 0.00 0.00 57.00 60.41 3i4m n GLN 52 Cb 0.24 -4.78 -0.08 0.00 1.02 0.00 0.00 30.24 26.64 3i4m n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i4m s ASP 53 N -0.61 -0.77 -0.48 1.08 1.01 -1.26 -4.72 116.67 110.92 3i4m s ASP 53 Ca -0.24 1.37 -0.26 0.00 0.71 0.00 0.00 52.55 54.13 3i4m s ASP 53 Cb 0.02 1.33 0.03 0.00 1.01 0.00 0.00 42.92 45.30 3i4m s ASP 53 CO 0.66 -0.23 0.99 -0.94 0.21 0.00 0.00 175.17 175.85 3i4m s SER 54 N 0.88 6.51 -0.20 0.27 1.04 -1.23 -3.60 113.70 117.37 3i4m s SER 54 Ca -0.04 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.53 3i4m s SER 54 Cb -0.05 -2.47 0.02 0.00 0.10 0.00 0.00 66.02 63.62 3i4m s SER 54 CO -0.07 -1.14 -0.15 -0.76 0.98 0.00 0.00 173.24 172.10 3i4m s LEU 55 N 3.99 2.50 -0.39 2.42 1.43 -1.05 -4.67 118.68 122.90 3i4m s LEU 55 Ca 0.39 -0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 3i4m s LEU 55 Cb -0.10 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 3i4m s LEU 55 CO 0.27 -0.04 1.56 -0.89 0.23 0.00 0.00 176.35 177.48 3i4m s THR 56 N 1.30 3.73 -0.64 5.49 2.01 -1.22 -2.94 115.64 123.37 3i4m s THR 56 Ca 0.03 0.73 -0.19 0.00 0.31 0.00 0.00 61.69 62.58 3i4m s THR 56 Cb -0.14 -4.01 0.11 0.00 0.01 0.00 0.00 72.50 68.47 3i4m s THR 56 CO -0.10 -0.66 0.74 -0.69 -0.69 0.00 0.00 174.62 173.23 3i4m s VAL 57 N 6.07 4.87 0.26 3.82 1.01 -0.21 -3.61 120.40 132.60 3i4m s VAL 57 Ca 0.68 -1.15 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3i4m s VAL 57 Cb -0.17 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 3i4m s VAL 57 CO 0.32 -1.15 0.23 -0.89 0.00 0.00 0.00 175.10 173.61 3i4m s THR 58 N 2.50 4.48 -0.16 3.92 2.01 -1.18 -3.28 115.64 123.93 3i4m s THR 58 Ca 0.14 -1.35 -0.21 0.00 0.31 0.00 0.00 61.69 60.58 3i4m s THR 58 Cb -0.22 -3.44 0.05 0.00 0.01 0.00 0.00 72.50 68.90 3i4m s THR 58 CO 0.04 -0.33 0.56 -0.63 -0.69 0.00 0.00 174.62 173.56 3i4m s ILE 59 N -2.13 0.01 -0.20 1.82 1.01 -0.62 -2.43 121.20 118.66 3i4m s ILE 59 Ca 0.34 -0.06 -0.36 0.00 0.00 0.00 0.00 60.65 60.57 3i4m s ILE 59 Cb -0.08 -0.81 0.15 0.00 0.01 0.00 0.00 42.46 41.73 3i4m s ILE 59 CO 0.26 -0.03 1.38 0.00 0.00 0.00 0.00 174.94 176.54 3i4m s ALA 60 N -0.20 -2.29 -0.92 9.38 0.00 -1.21 0.11 121.76 126.64 3i4m s ALA 60 Ca -0.04 1.52 -0.02 0.00 0.00 0.00 0.00 51.96 53.42 3i4m s ALA 60 Cb -0.03 -0.13 0.24 0.00 0.00 0.00 0.00 23.12 23.19 3i4m s ALA 60 CO 0.03 -0.74 0.88 -1.13 0.00 0.00 0.00 175.76 174.79 3i4m n SER 61 N -0.20 4.48 -3.49 0.00 3.41 -1.26 -0.99 113.62 115.57 3i4m n SER 61 Ca -0.01 -3.18 -0.02 0.00 -0.26 0.00 0.00 58.87 55.41 3i4m n SER 61 Cb 0.59 -1.07 0.01 0.00 -0.26 0.00 0.00 64.21 63.49 3i4m n SER 61 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i4m s SER 62 N -0.37 -0.01 0.00 4.04 0.15 -1.26 -4.86 113.70 111.40 3i4m s SER 62 Ca 0.29 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.41 3i4m s SER 62 Cb -0.04 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 3i4m s SER 62 CO -0.09 -0.81 0.00 0.00 1.20 0.00 0.00 173.24 173.54 3i4m n LEU 63 N -0.72 0.00 -3.32 3.45 -0.00 -1.26 -4.96 117.00 110.18 3i4m n LEU 63 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.86 3i4m n LEU 63 Cb 0.59 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.95 3i4m n LEU 63 CO 0.19 0.00 -0.11 0.20 -0.00 0.00 0.00 177.39 177.67 3i4m s ASN 64 N -1.05 0.61 0.00 1.45 0.01 -1.26 -4.27 114.94 110.44 3i4m s ASN 64 Ca 0.00 -1.49 0.00 0.00 -0.71 0.00 0.00 52.86 50.66 3i4m s ASN 64 Cb 0.00 0.83 0.00 0.00 0.41 0.00 0.00 41.25 42.49 3i4m s ASN 64 CO 0.00 -0.23 0.00 0.18 -1.51 0.00 0.00 177.10 175.54 3i4m n LEU 65 N 4.20 0.00 0.00 0.60 4.77 -1.26 -4.89 117.00 120.42 3i4m n LEU 65 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3i4m n LEU 65 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3i4m n LEU 65 CO 0.07 0.00 0.31 -0.62 -1.33 0.00 0.00 177.39 175.82 3i4m n GLU 66 N 0.00 0.00 -0.58 3.23 -0.58 -1.26 -4.65 120.64 116.80 3i4m n GLU 66 Ca 0.00 0.14 0.01 0.00 -0.42 0.00 0.00 57.16 56.89 3i4m n GLU 66 Cb 0.00 -1.12 -0.01 0.00 -0.57 0.00 0.00 31.44 29.74 3i4m n GLU 66 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3i4m n THR 76 N -0.92 -0.05 0.00 2.62 5.66 -1.26 -4.26 114.28 116.07 3i4m n THR 76 Ca 0.00 0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 3i4m n THR 76 Cb 0.00 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.68 3i4m n THR 76 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i4m n ARG 77 N -2.81 0.00 -0.73 1.09 1.74 -1.26 -5.03 116.66 109.65 3i4m n ARG 77 Ca -0.01 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 3i4m n ARG 77 Cb 0.20 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.66 3i4m n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i4m n SER 78 N -1.61 -2.13 -3.87 0.55 2.88 -1.26 -4.96 113.62 103.22 3i4m n SER 78 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 3i4m n SER 78 Cb 0.00 -0.40 -0.13 0.00 -0.75 0.00 0.00 64.21 62.93 3i4m n SER 78 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3i4m s TRP 79 N -1.60 3.18 0.87 0.66 -0.00 -1.26 -5.10 118.94 115.69 3i4m s TRP 79 Ca 0.19 -3.16 -0.16 0.00 -0.00 0.00 0.00 56.10 52.97 3i4m s TRP 79 Cb 0.06 -2.58 -0.10 0.00 -0.00 0.00 0.00 33.47 30.85 3i4m s TRP 79 CO 0.35 -0.65 -0.26 0.54 -0.00 0.00 0.00 176.95 176.94 3i4m n ARG 80 N 2.53 -0.02 0.00 5.86 5.12 -1.26 -4.98 116.66 123.91 3i4m n ARG 80 Ca 0.14 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 3i4m n ARG 80 Cb 0.35 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 3i4m n ARG 80 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3i4m n PRO 81 N 1.01 0.00 0.00 5.56 -0.02 -1.26 -5.05 135.00 135.24 3i4m n PRO 81 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3i4m n PRO 81 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3i4m n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3i4m n PRO 82 N 0.00 0.00 0.00 0.52 -0.04 -1.26 -4.67 135.00 129.55 3i4m n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i4m n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i4m n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i4m n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.46 117.38 118.22 3i4m n GLN 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i4m n GLN 83 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3i4m n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4m n ALA 84 N 0.00 1.12 0.32 -1.58 0.00 -1.26 -2.88 120.51 116.23 3i4m n ALA 84 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3i4m n ALA 84 Cb 0.00 -0.75 0.74 0.00 0.00 0.00 0.00 19.45 19.44 3i4m n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i4m h GLY 85 N 0.00 0.00 0.00 0.00 0.00 -1.96 -1.25 103.07 99.86 3i4m h GLY 85 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3i4m h GLY 85 CO 0.00 0.00 -1.57 2.09 0.00 0.00 0.00 176.54 177.06 3i4m n ASP 86 N -2.80 2.92 -3.91 0.19 5.68 -1.14 -5.06 116.55 112.42 3i4m n ASP 86 Ca -0.02 -0.03 -0.24 0.00 -0.50 0.00 0.00 54.79 54.00 3i4m n ASP 86 Cb 0.41 -0.18 0.07 0.00 -1.14 0.00 0.00 41.12 40.28 3i4m n ASP 86 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3i4m n ARG 87 N -2.88 -0.70 -1.70 0.11 1.74 -0.47 -4.81 116.66 107.95 3i4m n ARG 87 Ca -0.18 -0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.28 3i4m n ARG 87 Cb 0.68 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 3i4m n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i4m n SER 88 N 1.62 2.63 -3.37 0.55 3.41 -1.26 -4.97 113.62 112.23 3i4m n SER 88 Ca 0.00 1.16 -0.26 0.00 -0.26 0.00 0.00 58.87 59.51 3i4m n SER 88 Cb 0.47 -1.49 -0.08 0.00 -0.26 0.00 0.00 64.21 62.85 3i4m n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i4m n LEU 89 N 0.50 1.34 0.00 1.04 4.77 -1.26 -4.84 117.00 118.54 3i4m n LEU 89 Ca 0.06 -4.90 0.00 0.00 -0.03 0.00 0.00 56.01 51.14 3i4m n LEU 89 Cb 0.38 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3i4m n LEU 89 CO 0.61 1.99 0.05 0.00 -1.33 0.00 0.00 177.39 178.71 3i4m n ALA 90 N 1.58 1.54 0.80 -1.18 0.00 -1.26 -3.02 120.51 118.97 3i4m n ALA 90 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3i4m n ALA 90 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3i4m n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i4m n ASP 91 N -0.57 0.53 -2.15 0.00 5.75 -1.26 -4.45 116.55 114.40 3i4m n ASP 91 Ca 0.00 -1.33 -0.01 0.00 -0.01 0.00 0.00 54.79 53.44 3i4m n ASP 91 Cb 0.00 -0.27 -0.01 0.00 -1.03 0.00 0.00 41.12 39.81 3i4m n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3i4m n ASP 92 N 0.03 0.95 -2.63 -1.12 8.00 -1.17 -4.47 116.55 116.14 3i4m n ASP 92 Ca 0.00 -1.46 -0.12 0.00 0.71 0.00 0.00 54.79 53.92 3i4m n ASP 92 Cb 0.13 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 3i4m n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i4m n TYR 93 N 2.40 -1.30 -0.08 1.24 4.02 -1.26 -4.99 117.16 117.18 3i4m n TYR 93 Ca 0.04 -1.91 -0.11 0.00 -0.01 0.00 0.00 57.90 55.91 3i4m n TYR 93 Cb 0.13 0.46 -0.04 0.00 -0.02 0.00 0.00 39.34 39.87 3i4m n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3i4m n ASP 94 N -1.71 1.83 -4.72 7.72 8.00 0.12 -4.97 116.55 122.82 3i4m n ASP 94 Ca 0.00 0.31 -0.38 0.00 0.71 0.00 0.00 54.79 55.43 3i4m n ASP 94 Cb 0.48 -0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 3i4m n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3i4m s TYR 95 N -2.75 3.53 -0.41 1.24 6.04 -1.22 -4.92 117.35 118.86 3i4m s TYR 95 Ca -0.27 0.99 0.07 0.00 0.04 0.00 0.00 57.07 57.90 3i4m s TYR 95 Cb 0.05 -2.63 0.22 0.00 -1.04 0.00 0.00 41.96 38.57 3i4m s TYR 95 CO 0.39 0.14 0.48 0.28 -1.54 0.00 0.00 175.55 175.29 3i4m n VAL 96 N 3.72 -0.67 -1.39 3.14 0.31 -1.26 -1.53 118.33 120.65 3i4m n VAL 96 Ca -0.05 -3.91 -0.24 0.00 -0.01 0.00 0.00 64.34 60.13 3i4m n VAL 96 Cb 0.51 -1.88 0.18 0.00 -0.91 0.00 0.00 33.84 31.75 3i4m n VAL 96 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3i4m n MET 97 N 1.83 -1.83 -3.35 5.55 2.81 -1.19 -4.78 117.12 116.17 3i4m n MET 97 Ca 0.24 -1.57 0.02 0.00 -1.81 0.00 0.00 57.70 54.58 3i4m n MET 97 Cb 0.51 -1.22 -0.04 0.00 -0.71 0.00 0.00 33.22 31.75 3i4m n MET 97 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3i4m s TYR 98 N -3.04 -0.51 0.00 2.03 5.04 -1.26 -1.49 117.35 118.12 3i4m s TYR 98 Ca 0.60 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 3i4m s TYR 98 Cb -0.03 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.58 3i4m s TYR 98 CO 0.44 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.81 3i4m n GLY 99 N 4.81 4.31 3.23 8.97 0.00 -1.24 -4.45 105.19 120.82 3i4m n GLY 99 Ca -0.09 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 3i4m n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i4m s THR 100 N 2.63 0.00 -0.19 2.61 2.01 0.65 -4.18 115.64 119.16 3i4m s THR 100 Ca 0.00 -1.97 -0.02 0.00 0.31 0.00 0.00 61.69 60.00 3i4m s THR 100 Cb 0.00 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 3i4m s THR 100 CO 0.00 0.00 -0.09 0.00 -0.69 0.00 0.00 174.62 173.84 3i4m s ALA 101 N -4.03 2.71 0.00 7.40 0.00 -1.25 0.23 121.76 126.82 3i4m s ALA 101 Ca 0.39 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3i4m s ALA 101 Cb 0.06 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.68 3i4m s ALA 101 CO 0.14 -0.22 0.00 2.48 0.00 0.00 0.00 175.76 178.16 3i4m n TYR 102 N 4.40 0.00 -3.05 0.00 -0.00 -0.21 -4.83 117.16 113.46 3i4m n TYR 102 Ca -0.19 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.41 3i4m n TYR 102 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.82 3i4m n TYR 102 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 3i4m s LYS 103 N 0.00 3.76 -0.52 -3.48 2.20 -1.26 -4.92 119.74 115.51 3i4m s LYS 103 Ca 0.00 0.34 0.05 0.00 -0.36 0.00 0.00 55.97 56.00 3i4m s LYS 103 Cb 0.00 -2.49 0.37 0.00 -1.51 0.00 0.00 37.83 34.21 3i4m s LYS 103 CO 0.00 0.07 1.02 1.19 -0.36 0.00 0.00 175.35 177.27 3i4m n PHE 104 N -1.04 3.79 -0.80 4.03 3.01 -1.26 -1.31 117.46 123.87 3i4m n PHE 104 Ca 0.01 -3.64 -0.34 0.00 1.01 0.00 0.00 57.45 54.49 3i4m n PHE 104 Cb 0.54 -0.32 0.12 0.00 -0.01 0.00 0.00 39.48 39.80 3i4m n PHE 104 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3i4m n GLU 105 N -0.34 -0.78 -3.61 -1.08 2.13 -1.07 -4.79 120.64 111.11 3i4m n GLU 105 Ca 0.34 -0.21 -0.29 0.00 0.66 0.00 0.00 57.16 57.66 3i4m n GLU 105 Cb 0.50 -1.53 -0.13 0.00 0.27 0.00 0.00 31.44 30.56 3i4m n GLU 105 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3i4m s GLU 106 N -3.05 0.95 -0.86 5.31 2.02 -1.26 -2.41 118.70 119.40 3i4m s GLU 106 Ca 0.51 -1.68 -0.23 0.00 0.02 0.00 0.00 54.97 53.59 3i4m s GLU 106 Cb -0.11 -1.88 -0.15 0.00 0.10 0.00 0.00 34.13 32.09 3i4m s GLU 106 CO 0.69 -1.17 1.91 0.28 0.02 0.00 0.00 175.26 176.98 3i4m n VAL 107 N 3.81 1.74 -0.94 2.63 0.31 -1.18 -4.88 118.33 119.82 3i4m n VAL 107 Ca 0.10 -1.62 0.00 0.00 -0.01 0.00 0.00 64.34 62.80 3i4m n VAL 107 Cb 0.36 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 3i4m n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3i4m n SER 108 N 9.74 -0.09 0.00 4.52 3.41 -1.26 -3.81 113.62 126.12 3i4m n SER 108 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 3i4m n SER 108 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3i4m n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i4m n LYS 109 N 0.00 0.00 0.00 4.33 5.02 -1.26 -1.85 118.16 124.40 3i4m n LYS 109 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i4m n LYS 109 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i4m n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3i4m n ASP 110 N 0.46 0.00 -2.51 4.39 5.75 -1.26 -5.01 116.55 118.37 3i4m n ASP 110 Ca 0.00 -0.32 -0.10 0.00 -0.01 0.00 0.00 54.79 54.37 3i4m n ASP 110 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 3i4m n ASP 110 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3i4m n LEU 111 N 0.00 3.03 -4.54 -2.12 4.77 -0.77 -4.37 117.00 113.00 3i4m n LEU 111 Ca 0.00 -2.04 -0.35 0.00 -0.03 0.00 0.00 56.01 53.59 3i4m n LEU 111 Cb 0.11 -0.78 0.09 0.00 -2.33 0.00 0.00 43.42 40.50 3i4m n LEU 111 CO 0.00 0.51 0.29 -0.38 -1.33 0.00 0.00 177.39 176.48 3i4m n ILE 112 N 3.19 1.91 -3.66 -0.08 5.41 -1.23 -3.11 119.36 121.79 3i4m n ILE 112 Ca 0.26 -0.34 -0.16 0.00 1.00 0.00 0.00 62.75 63.51 3i4m n ILE 112 Cb 0.35 -0.90 -0.15 0.00 -0.71 0.00 0.00 39.64 38.23 3i4m n ILE 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i4m s ALA 113 N -1.97 -0.24 -0.02 -1.39 0.00 -1.01 -2.29 121.76 114.83 3i4m s ALA 113 Ca 0.68 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 53.21 3i4m s ALA 113 Cb -0.32 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3i4m s ALA 113 CO 0.56 -0.63 0.19 0.14 0.00 0.00 0.00 175.76 176.02 3i4m s VAL 114 N 2.32 5.43 -0.17 0.00 -7.23 -1.26 -2.59 120.40 116.90 3i4m s VAL 114 Ca 0.03 -0.09 -0.05 0.00 -1.81 0.00 0.00 61.98 60.06 3i4m s VAL 114 Cb -0.12 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 3i4m s VAL 114 CO -0.07 0.35 -0.00 -0.31 -0.31 0.00 0.00 175.10 174.76 3i4m s TYR 115 N -1.30 3.09 -0.02 2.82 1.51 -0.43 -1.44 117.35 121.58 3i4m s TYR 115 Ca 0.26 -0.21 0.06 0.00 -1.01 0.00 0.00 57.07 56.17 3i4m s TYR 115 Cb -0.13 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 3i4m s TYR 115 CO 0.17 -0.00 -0.20 0.71 -1.11 0.00 0.00 175.55 175.11 3i4m s TYR 116 N 0.44 1.88 0.13 2.71 1.51 0.26 -1.05 117.35 123.23 3i4m s TYR 116 Ca -0.01 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 3i4m s TYR 116 Cb -0.14 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 3i4m s TYR 116 CO 0.02 -0.07 -0.17 0.45 -1.11 0.00 0.00 175.55 174.67 3i4m s SER 117 N -0.36 2.34 -0.45 2.29 0.15 0.64 0.10 113.70 118.41 3i4m s SER 117 Ca 0.05 -0.81 0.03 0.00 0.70 0.00 0.00 55.95 55.93 3i4m s SER 117 Cb -0.09 -0.11 0.12 0.00 -1.71 0.00 0.00 66.02 64.23 3i4m s SER 117 CO 0.00 -0.07 0.20 -0.36 1.20 0.00 0.00 173.24 174.21 3i4m s PHE 118 N -1.93 2.95 0.00 3.44 0.40 0.43 0.24 117.98 123.51 3i4m s PHE 118 Ca 0.11 -2.88 0.00 0.00 -0.60 0.00 0.00 56.93 53.56 3i4m s PHE 118 Cb -0.06 -2.57 0.00 0.00 0.51 0.00 0.00 43.02 40.90 3i4m s PHE 118 CO 0.05 -0.81 0.00 0.41 0.70 0.00 0.00 175.22 175.57 3i4m n GLY 119 N 3.58 0.00 0.11 4.36 0.00 -1.26 -1.87 105.19 110.11 3i4m n GLY 119 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i4m n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4m n GLY 120 N -0.04 -0.03 3.79 -0.02 0.00 -1.26 -5.13 105.19 102.49 3i4m n GLY 120 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3i4m n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4m s LEU 121 N -3.17 4.48 0.48 0.99 1.43 -0.78 -5.07 118.68 117.04 3i4m s LEU 121 Ca 0.00 1.58 0.08 0.00 -1.03 0.00 0.00 54.13 54.76 3i4m s LEU 121 Cb 0.00 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.79 3i4m s LEU 121 CO 0.00 0.12 0.57 -0.76 0.23 0.00 0.00 176.35 176.51 3i4m s LEU 122 N -1.52 3.28 -0.23 1.79 1.43 -1.26 0.16 118.68 122.34 3i4m s LEU 122 Ca 0.40 -0.75 -0.27 0.00 -1.03 0.00 0.00 54.13 52.47 3i4m s LEU 122 Cb -0.20 -1.98 0.12 0.00 0.03 0.00 0.00 46.19 44.15 3i4m s LEU 122 CO 0.24 -0.96 0.98 -0.32 0.23 0.00 0.00 176.35 176.52 3i4m s MET 123 N -4.38 0.58 -0.04 1.70 -2.45 0.28 -2.69 119.30 112.31 3i4m s MET 123 Ca 0.52 0.45 -0.04 0.00 -1.25 0.00 0.00 55.69 55.38 3i4m s MET 123 Cb -0.06 0.28 0.01 0.00 1.25 0.00 0.00 34.83 36.31 3i4m s MET 123 CO 0.32 -0.12 0.10 0.50 1.05 0.00 0.00 175.02 176.87 3i4m s ARG 124 N -0.29 0.13 0.00 4.11 3.52 -0.08 0.90 118.95 127.23 3i4m s ARG 124 Ca 0.01 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 3i4m s ARG 124 Cb -0.03 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 3i4m s ARG 124 CO -0.02 -0.02 0.00 -0.11 -0.81 0.00 0.00 175.30 174.34 3i4m n LEU 125 N 3.00 0.00 -3.65 -0.88 7.94 -0.52 0.16 117.00 123.05 3i4m n LEU 125 Ca -0.12 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.75 3i4m n LEU 125 Cb 0.59 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.48 3i4m n LEU 125 CO 0.23 -0.16 1.17 -0.70 -1.11 0.00 0.00 177.39 176.81 3i4m s GLU 126 N -1.51 0.06 0.00 1.96 2.12 -1.21 -4.08 118.70 116.03 3i4m s GLU 126 Ca 0.00 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.38 3i4m s GLU 126 Cb 0.00 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.42 3i4m s GLU 126 CO 0.00 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 3i4m n GLY 127 N 1.30 -0.11 0.00 -1.50 0.00 -0.97 -3.46 105.19 100.45 3i4m n GLY 127 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3i4m n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i4m n ASN 128 N 0.00 0.00 -1.77 1.61 2.85 -1.26 -3.27 115.26 113.42 3i4m n ASN 128 Ca 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.33 3i4m n ASN 128 Cb 0.00 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.06 3i4m n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i4m n TYR 129 N 0.00 1.33 -0.54 1.20 0.18 -1.26 -3.32 117.16 114.75 3i4m n TYR 129 Ca 0.00 -1.68 0.07 0.00 1.88 0.00 0.00 57.90 58.16 3i4m n TYR 129 Cb 0.00 -0.82 0.19 0.00 -0.38 0.00 0.00 39.34 38.33 3i4m n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3i4m n ARG 130 N 0.36 2.87 0.00 -3.48 3.00 -1.26 -4.86 116.66 113.29 3i4m n ARG 130 Ca 0.26 -2.38 0.00 0.00 -0.01 0.00 0.00 57.85 55.72 3i4m n ARG 130 Cb 0.65 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.60 3i4m n ARG 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3i4m n ASN 131 N -0.01 0.00 0.00 0.55 3.02 -1.21 -0.60 115.26 117.01 3i4m n ASN 131 Ca 0.15 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.72 3i4m n ASN 131 Cb 0.62 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.91 3i4m n ASN 131 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i4m n LEU 132 N 0.00 0.00 -0.10 3.41 4.77 -1.26 -2.83 117.00 121.00 3i4m n LEU 132 Ca 0.00 0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 55.86 3i4m n LEU 132 Cb 0.00 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 3i4m n LEU 132 CO 0.00 -0.09 -1.10 0.59 -1.33 0.00 0.00 177.39 175.46 3i4m n ASN 133 N -1.10 1.99 -4.55 -1.43 3.02 -1.22 -4.86 115.26 107.10 3i4m n ASN 133 Ca 0.03 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.32 3i4m n ASN 133 Cb 0.02 -0.73 -0.05 0.00 -0.61 0.00 0.00 39.78 38.41 3i4m n ASN 133 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3i4m s ASN 134 N -6.97 6.43 0.52 6.41 3.84 0.23 -4.77 114.94 120.63 3i4m s ASN 134 Ca -0.32 -0.05 -0.05 0.00 0.21 0.00 0.00 52.86 52.65 3i4m s ASN 134 Cb 0.09 -2.38 -0.02 0.00 -0.55 0.00 0.00 41.25 38.39 3i4m s ASN 134 CO 0.61 -0.89 0.82 -0.76 -2.79 0.00 0.00 177.10 174.10 3i4m s LEU 135 N 3.25 3.48 0.00 3.21 1.02 -1.26 -4.85 118.68 123.53 3i4m s LEU 135 Ca 0.30 0.82 0.30 0.00 0.02 0.00 0.00 54.13 55.57 3i4m s LEU 135 Cb -0.12 -3.73 1.73 0.00 0.02 0.00 0.00 46.19 44.09 3i4m s LEU 135 CO 0.22 -0.76 2.10 0.29 0.02 0.00 0.00 176.35 178.22 3i4m n LYS 136 N -2.37 0.84 -0.85 1.70 5.02 -1.26 -4.90 118.16 116.34 3i4m n LYS 136 Ca 0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.96 3i4m n LYS 136 Cb 0.56 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.17 3i4m n LYS 136 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3i4m n GLN 137 N -1.05 -0.66 -0.05 1.97 6.02 -1.26 -4.78 117.38 117.57 3i4m n GLN 137 Ca 0.21 -0.18 -0.03 0.00 -0.01 0.00 0.00 57.00 56.99 3i4m n GLN 137 Cb 0.13 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.03 3i4m n GLN 137 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3i4m h GLU 138 N -1.47 0.00 -6.01 -1.09 4.81 -1.89 -3.34 114.58 105.58 3i4m h GLU 138 Ca -0.46 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.18 3i4m h GLU 138 Cb 1.37 0.00 0.19 0.00 0.63 0.00 0.00 28.75 30.93 3i4m h GLU 138 CO 0.29 0.00 -1.20 0.09 -0.73 0.00 0.00 179.01 177.46 3i4m n ASN 139 N -4.25 -3.82 0.00 1.04 3.02 -1.26 -3.91 115.26 106.07 3i4m n ASN 139 Ca -0.04 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 3i4m n ASN 139 Cb 0.16 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 3i4m n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4m n ALA 140 N -1.59 0.00 -2.41 5.41 0.00 -1.26 -4.81 120.51 115.85 3i4m n ALA 140 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 3i4m n ALA 140 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 3i4m n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3i4m s TYR 141 N 0.00 3.75 0.36 0.00 1.51 -0.16 -3.90 117.35 118.91 3i4m s TYR 141 Ca 0.00 1.70 0.00 0.00 -1.01 0.00 0.00 57.07 57.76 3i4m s TYR 141 Cb 0.00 -3.02 -0.03 0.00 -0.11 0.00 0.00 41.96 38.80 3i4m s TYR 141 CO 0.00 0.16 0.57 -1.17 -1.11 0.00 0.00 175.55 174.00 3i4m s LEU 142 N 0.25 3.98 0.06 -1.29 2.96 -0.56 -3.29 118.68 120.80 3i4m s LEU 142 Ca 0.46 0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 54.69 3i4m s LEU 142 Cb -0.22 -3.35 0.03 0.00 0.50 0.00 0.00 46.19 43.15 3i4m s LEU 142 CO 0.28 -0.32 0.36 -0.76 -1.32 0.00 0.00 176.35 174.59 3i4m s LEU 143 N -4.35 0.62 0.23 -0.68 1.02 -1.02 -3.14 118.68 111.37 3i4m s LEU 143 Ca 0.41 -0.15 -0.11 0.00 0.02 0.00 0.00 54.13 54.30 3i4m s LEU 143 Cb -0.10 1.58 -0.01 0.00 0.02 0.00 0.00 46.19 47.69 3i4m s LEU 143 CO 0.37 -0.68 0.42 -0.63 0.02 0.00 0.00 176.35 175.85 3i4m s ILE 144 N -2.76 0.01 -0.25 -0.59 1.01 -0.58 -3.09 121.20 114.94 3i4m s ILE 144 Ca -0.03 -1.46 -0.26 0.00 0.00 0.00 0.00 60.65 58.89 3i4m s ILE 144 Cb -0.00 -2.19 0.14 0.00 0.01 0.00 0.00 42.46 40.42 3i4m s ILE 144 CO -0.05 -0.03 1.10 0.00 0.00 0.00 0.00 174.94 175.96 3i4m s ARG 145 N -4.03 0.44 0.00 2.79 1.70 -1.25 0.13 118.95 118.73 3i4m s ARG 145 Ca 0.24 0.38 0.00 0.00 -0.47 0.00 0.00 55.73 55.88 3i4m s ARG 145 Cb 0.01 0.21 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 3i4m s ARG 145 CO 0.08 -0.08 0.00 0.54 -1.08 0.00 0.00 175.30 174.76