#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g15 s GLN 4 N 0.00 4.15 -0.02 -1.58 -0.21 -1.26 -2.17 119.66 118.58 1g15 s GLN 4 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 55.36 56.26 1g15 s GLN 4 Cb 0.00 -2.47 0.02 0.00 1.00 0.00 0.00 33.01 31.57 1g15 s GLN 4 CO 0.00 0.16 0.02 0.08 -2.12 0.00 0.00 175.29 173.43 1g15 s VAL 5 N -1.93 -0.04 -0.16 1.09 1.01 0.19 -4.73 120.40 115.84 1g15 s VAL 5 Ca 0.54 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 1g15 s VAL 5 Cb -0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1g15 s VAL 5 CO 0.17 0.07 0.13 -1.61 0.00 0.00 0.00 175.10 173.86 1g15 s GLU 6 N 0.84 3.78 -0.08 2.72 2.02 0.09 -1.00 118.70 127.07 1g15 s GLU 6 Ca -0.07 -0.19 0.01 0.00 0.02 0.00 0.00 54.97 54.74 1g15 s GLU 6 Cb -0.10 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.87 1g15 s GLU 6 CO -0.02 0.54 -0.11 0.42 0.02 0.00 0.00 175.26 176.11 1g15 s ILE 7 N -0.35 1.10 -0.12 -1.63 1.01 0.01 -0.11 121.20 121.11 1g15 s ILE 7 Ca 0.11 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1g15 s ILE 7 Cb -0.12 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1g15 s ILE 7 CO 0.01 0.36 -0.20 -0.36 0.00 0.00 0.00 174.94 174.75 1g15 s PHE 8 N 1.04 2.43 0.15 3.97 0.08 0.12 -0.17 117.98 125.60 1g15 s PHE 8 Ca -0.07 -1.17 0.06 0.00 0.12 0.00 0.00 56.93 55.87 1g15 s PHE 8 Cb -0.15 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1g15 s PHE 8 CO -0.01 -0.54 -0.12 0.95 -0.10 0.00 0.00 175.22 175.40 1g15 s THR 9 N 0.78 1.36 0.06 0.64 -4.23 -0.65 -0.12 115.64 113.49 1g15 s THR 9 Ca -0.09 -1.99 -0.26 0.00 -1.18 0.00 0.00 61.69 58.17 1g15 s THR 9 Cb -0.16 -1.79 0.09 0.00 1.34 0.00 0.00 72.50 71.98 1g15 s THR 9 CO -0.00 -0.61 0.75 -0.62 -0.54 0.00 0.00 174.62 173.60 1g15 s ASP 10 N -2.98 -0.47 0.35 3.99 3.68 -0.24 -4.40 116.67 116.59 1g15 s ASP 10 Ca 0.16 0.05 0.04 0.00 2.13 0.00 0.00 52.55 54.92 1g15 s ASP 10 Cb -0.01 0.49 -0.06 0.00 -1.45 0.00 0.00 42.92 41.90 1g15 s ASP 10 CO 0.03 -0.77 0.06 -0.83 0.13 0.00 0.00 175.17 173.79 1g15 s GLY 11 N -2.50 2.21 -0.09 2.66 0.00 -1.26 -0.73 107.32 107.61 1g15 s GLY 11 Ca 0.02 -1.90 -0.19 0.00 0.00 0.00 0.00 44.72 42.66 1g15 s GLY 11 CO -0.10 -1.85 0.45 -0.45 0.00 0.00 0.00 173.10 171.16 1g15 s SER 12 N -3.53 -0.41 -0.19 1.64 0.15 0.16 -4.81 113.70 106.72 1g15 s SER 12 Ca 0.34 0.57 -0.10 0.00 0.70 0.00 0.00 55.95 57.45 1g15 s SER 12 Cb 0.08 0.62 0.06 0.00 -1.71 0.00 0.00 66.02 65.08 1g15 s SER 12 CO 0.15 -0.36 0.45 0.00 1.20 0.00 0.00 173.24 174.68 1g15 s ALA 13 N -0.66 -1.17 -0.73 5.45 0.00 -1.26 -0.86 121.76 122.53 1g15 s ALA 13 Ca -0.08 1.66 -0.02 0.00 0.00 0.00 0.00 51.96 53.52 1g15 s ALA 13 Cb -0.03 -1.02 0.41 0.00 0.00 0.00 0.00 23.12 22.48 1g15 s ALA 13 CO 0.04 -0.31 2.03 1.28 0.00 0.00 0.00 175.76 178.80 1g15 n LEU 14 N 4.33 7.63 0.00 0.00 4.77 0.85 -4.90 117.00 129.67 1g15 n LEU 14 Ca -0.22 -4.49 0.00 0.00 -0.03 0.00 0.00 56.01 51.26 1g15 n LEU 14 Cb 0.55 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1g15 n LEU 14 CO 0.06 1.58 0.00 0.61 -1.33 0.00 0.00 177.39 178.31 1g15 n GLY 15 N -0.78 1.72 2.56 -0.72 0.00 -1.26 -4.43 105.19 102.29 1g15 n GLY 15 Ca 0.60 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 1g15 n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1g15 s ASN 16 N 0.00 0.38 0.71 1.61 3.04 -1.26 -3.45 114.94 115.97 1g15 s ASN 16 Ca 0.00 -2.43 -0.09 0.00 0.04 0.00 0.00 52.86 50.38 1g15 s ASN 16 Cb 0.00 0.50 0.04 0.00 -1.54 0.00 0.00 41.25 40.25 1g15 s ASN 16 CO 0.00 -0.14 1.06 -2.16 -3.04 0.00 0.00 177.10 172.82 1g15 s PRO 17 N 0.51 2.49 0.00 0.43 0.04 -1.26 -5.11 135.00 132.10 1g15 s PRO 17 Ca 0.30 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1g15 s PRO 17 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1g15 s PRO 17 CO -0.13 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1g15 n GLY 18 N -2.98 -1.07 3.64 0.56 0.00 -0.27 -4.86 105.19 100.21 1g15 n GLY 18 Ca 0.07 -1.01 -0.45 0.00 0.00 0.00 0.00 46.02 44.63 1g15 n GLY 18 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1g15 n PRO 19 N -0.00 1.75 -4.01 1.61 -0.02 -1.10 -1.08 135.00 132.14 1g15 n PRO 19 Ca 0.00 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 1g15 n PRO 19 Cb 0.00 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 1g15 n PRO 19 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1g15 s GLY 20 N -0.09 0.71 0.18 -1.23 0.00 -0.04 -0.11 107.32 106.74 1g15 s GLY 20 Ca 0.64 -1.00 -0.20 0.00 0.00 0.00 0.00 44.72 44.15 1g15 s GLY 20 CO 0.55 -0.70 0.57 -0.32 0.00 0.00 0.00 173.10 173.21 1g15 s GLY 21 N -3.06 -0.37 0.18 0.20 0.00 -0.04 0.35 107.32 104.57 1g15 s GLY 21 Ca 0.24 0.13 0.09 0.00 0.00 0.00 0.00 44.72 45.19 1g15 s GLY 21 CO 0.11 -0.04 -0.20 -2.52 0.00 0.00 0.00 173.10 170.46 1g15 s TYR 22 N -3.81 1.96 -0.06 1.90 -0.85 -0.90 -0.66 117.35 114.93 1g15 s TYR 22 Ca 0.05 -0.44 -0.03 0.00 -0.52 0.00 0.00 57.07 56.13 1g15 s TYR 22 Cb -0.01 -0.97 0.03 0.00 0.38 0.00 0.00 41.96 41.39 1g15 s TYR 22 CO -0.08 0.39 0.13 0.20 -1.52 0.00 0.00 175.55 174.68 1g15 s GLY 23 N -2.72 -0.04 -0.01 5.49 0.00 0.09 -3.15 107.32 106.97 1g15 s GLY 23 Ca 0.18 0.57 -0.01 0.00 0.00 0.00 0.00 44.72 45.46 1g15 s GLY 23 CO 0.08 0.79 0.03 0.00 0.00 0.00 0.00 173.10 174.00 1g15 s ALA 24 N 0.87 -0.05 -0.20 3.20 0.00 0.49 -1.08 121.76 124.99 1g15 s ALA 24 Ca -0.07 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 1g15 s ALA 24 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1g15 s ALA 24 CO -0.04 -0.04 -0.08 0.42 0.00 0.00 0.00 175.76 176.02 1g15 s ILE 25 N 0.24 3.13 -0.34 0.00 -1.09 0.83 -1.29 121.20 122.69 1g15 s ILE 25 Ca -0.02 -0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 57.77 1g15 s ILE 25 Cb -0.03 -2.40 0.05 0.00 -1.58 0.00 0.00 42.46 38.51 1g15 s ILE 25 CO -0.01 0.46 0.09 -0.22 -1.23 0.00 0.00 174.94 174.03 1g15 s LEU 26 N 1.24 4.31 -0.11 2.97 2.96 0.09 -0.71 118.68 129.44 1g15 s LEU 26 Ca 0.03 -1.29 -0.01 0.00 -0.22 0.00 0.00 54.13 52.63 1g15 s LEU 26 Cb -0.14 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1g15 s LEU 26 CO -0.03 -0.34 -0.07 -0.60 -1.32 0.00 0.00 176.35 173.99 1g15 s ARG 27 N 1.33 3.20 -0.22 1.98 3.52 0.85 0.58 118.95 130.19 1g15 s ARG 27 Ca -0.02 -0.57 -0.09 0.00 -0.13 0.00 0.00 55.73 54.92 1g15 s ARG 27 Cb -0.20 -2.71 0.09 0.00 -1.56 0.00 0.00 34.95 30.57 1g15 s ARG 27 CO 0.01 0.42 0.50 -0.47 -0.81 0.00 0.00 175.30 174.95 1g15 s TYR 28 N -0.15 -0.91 -1.24 5.12 5.04 0.19 -0.73 117.35 124.67 1g15 s TYR 28 Ca 0.02 1.73 -0.01 0.00 -2.44 0.00 0.00 57.07 56.36 1g15 s TYR 28 Cb -0.13 0.45 -0.01 0.00 0.35 0.00 0.00 41.96 42.62 1g15 s TYR 28 CO 0.03 -0.50 0.83 0.54 -1.34 0.00 0.00 175.55 175.11 1g15 n ARG 29 N 5.00 -5.15 0.00 4.97 1.74 -1.26 -1.76 116.66 120.19 1g15 n ARG 29 Ca -0.14 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 1g15 n ARG 29 Cb 0.52 -5.43 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 1g15 n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1g15 n GLY 30 N -1.39 1.60 3.87 -0.13 0.00 -1.26 -4.94 105.19 102.94 1g15 n GLY 30 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1g15 n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g15 s ARG 31 N 0.00 3.40 0.07 1.61 0.52 -0.72 -5.11 118.95 118.73 1g15 s ARG 31 Ca 0.00 -0.21 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 1g15 s ARG 31 Cb 0.00 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 1g15 s ARG 31 CO 0.00 0.74 -0.10 -1.83 0.02 0.00 0.00 175.30 174.14 1g15 s GLU 32 N -1.28 0.74 0.13 3.54 -1.05 -1.26 0.54 118.70 120.05 1g15 s GLU 32 Ca 0.18 -1.01 0.10 0.00 -0.15 0.00 0.00 54.97 54.09 1g15 s GLU 32 Cb -0.12 -0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 33.06 1g15 s GLU 32 CO 0.08 0.08 -0.23 0.21 0.95 0.00 0.00 175.26 176.35 1g15 s LYS 33 N -2.33 1.57 0.05 -4.83 2.20 0.20 -4.95 119.74 111.65 1g15 s LYS 33 Ca -0.00 -1.28 0.07 0.00 -0.36 0.00 0.00 55.97 54.39 1g15 s LYS 33 Cb -0.06 -1.99 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 1g15 s LYS 33 CO 0.00 0.46 -0.15 0.99 -0.36 0.00 0.00 175.35 176.29 1g15 s THR 34 N -1.11 3.02 -0.05 3.43 2.01 -1.26 -0.73 115.64 120.95 1g15 s THR 34 Ca 0.16 -1.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.00 1g15 s THR 34 Cb -0.10 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.13 1g15 s THR 34 CO 0.08 0.30 0.01 -0.36 -0.69 0.00 0.00 174.62 173.96 1g15 s PHE 35 N -0.99 0.41 -0.19 4.92 0.08 -0.41 -5.00 117.98 116.79 1g15 s PHE 35 Ca 0.16 -0.01 -0.27 0.00 0.12 0.00 0.00 56.93 56.93 1g15 s PHE 35 Cb -0.11 -0.59 0.07 0.00 -0.57 0.00 0.00 43.02 41.83 1g15 s PHE 35 CO 0.07 -0.22 0.73 -1.54 -0.10 0.00 0.00 175.22 174.16 1g15 s SER 36 N 1.64 -0.69 -0.06 1.36 1.04 -1.26 -0.38 113.70 115.34 1g15 s SER 36 Ca -0.01 1.13 -0.31 0.00 0.48 0.00 0.00 55.95 57.24 1g15 s SER 36 Cb -0.13 1.07 0.07 0.00 0.10 0.00 0.00 66.02 67.14 1g15 s SER 36 CO -0.03 -0.38 0.69 0.00 0.98 0.00 0.00 173.24 174.50 1g15 s ALA 37 N -0.23 -1.77 0.06 5.32 0.00 -1.19 -5.00 121.76 118.95 1g15 s ALA 37 Ca -0.04 1.34 0.07 0.00 0.00 0.00 0.00 51.96 53.33 1g15 s ALA 37 Cb -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1g15 s ALA 37 CO 0.04 -0.37 -0.13 0.20 0.00 0.00 0.00 175.76 175.50 1g15 s GLY 38 N -1.15 1.69 0.09 0.00 0.00 -1.26 -2.12 107.32 104.58 1g15 s GLY 38 Ca -0.11 -1.20 0.10 0.00 0.00 0.00 0.00 44.72 43.52 1g15 s GLY 38 CO 0.10 -1.12 -0.26 -0.19 0.00 0.00 0.00 173.10 171.62 1g15 s TYR 39 N -1.06 2.26 0.21 1.90 1.51 0.15 -1.26 117.35 121.07 1g15 s TYR 39 Ca 0.18 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1g15 s TYR 39 Cb -0.11 -1.28 0.18 0.00 -0.11 0.00 0.00 41.96 40.65 1g15 s TYR 39 CO 0.09 0.25 1.59 1.79 -1.11 0.00 0.00 175.55 178.15 1g15 h THR 40 N 4.03 1.29 -2.59 -0.71 1.35 -1.53 -0.08 112.91 114.67 1g15 h THR 40 Ca -0.49 -1.51 -0.44 0.00 -0.55 0.00 0.00 66.41 63.42 1g15 h THR 40 Cb 1.16 1.45 -0.38 0.00 -1.73 0.00 0.00 68.15 68.65 1g15 h THR 40 CO 0.41 0.48 -0.72 -0.60 -0.25 0.00 0.00 175.52 174.84 1g15 s ARG 41 N -4.35 0.22 0.00 4.72 3.52 -1.26 -2.70 118.95 119.10 1g15 s ARG 41 Ca -0.08 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 1g15 s ARG 41 Cb 0.12 -1.07 0.00 0.00 -1.56 0.00 0.00 34.95 32.45 1g15 s ARG 41 CO 0.83 -0.96 0.00 -2.37 -0.81 0.00 0.00 175.30 171.99 1g15 n THR 42 N 5.28 0.00 -4.17 4.11 5.66 -0.24 -4.36 114.28 120.55 1g15 n THR 42 Ca -0.05 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.83 1g15 n THR 42 Cb 0.45 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.12 1g15 n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1g15 s THR 43 N -2.41 0.78 0.22 1.09 -4.23 -1.26 -1.12 115.64 108.70 1g15 s THR 43 Ca 0.00 -1.84 -0.09 0.00 -1.18 0.00 0.00 61.69 58.58 1g15 s THR 43 Cb 0.00 -1.57 0.17 0.00 1.34 0.00 0.00 72.50 72.45 1g15 s THR 43 CO 0.00 -0.77 1.88 -1.13 -0.54 0.00 0.00 174.62 174.06 1g15 h ASN 44 N 3.15 0.93 -0.59 3.99 -1.24 -1.82 -1.63 115.58 118.38 1g15 h ASN 44 Ca -0.36 -0.03 0.09 0.00 0.71 0.00 0.00 56.30 56.71 1g15 h ASN 44 Cb 1.18 -0.23 -0.07 0.00 0.73 0.00 0.00 38.32 39.92 1g15 h ASN 44 CO 0.61 0.68 0.20 0.78 -1.29 0.00 0.00 177.43 178.41 1g15 h ASN 45 N 1.09 0.18 -0.31 1.15 -0.26 -1.96 0.21 115.58 115.67 1g15 h ASN 45 Ca 0.29 0.08 -0.12 0.00 -0.56 0.00 0.00 56.30 55.99 1g15 h ASN 45 Cb -0.11 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 1g15 h ASN 45 CO -0.06 0.11 -0.25 0.03 -1.06 0.00 0.00 177.43 176.19 1g15 h ARG 46 N 0.37 0.81 -0.37 0.81 3.08 -1.85 -2.59 114.38 114.65 1g15 h ARG 46 Ca 0.30 -0.35 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1g15 h ARG 46 Cb 0.38 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1g15 h ARG 46 CO -0.31 0.98 -0.13 0.52 -1.07 0.00 0.00 179.97 179.96 1g15 h MET 47 N 0.70 0.66 -0.65 0.04 2.86 -0.42 0.17 114.93 118.30 1g15 h MET 47 Ca 0.09 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1g15 h MET 47 Cb 0.79 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 1g15 h MET 47 CO 0.07 0.77 0.40 0.93 1.06 0.00 0.00 176.91 180.14 1g15 h GLU 48 N 0.60 0.87 -0.18 1.72 4.39 -0.39 -0.48 114.58 121.11 1g15 h GLU 48 Ca 0.10 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1g15 h GLU 48 Cb 0.57 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1g15 h GLU 48 CO 0.04 0.61 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.24 1g15 h LEU 49 N 0.88 0.47 -0.91 1.33 4.07 -1.08 -3.18 115.31 116.89 1g15 h LEU 49 Ca 0.23 -0.48 0.11 0.00 0.08 0.00 0.00 57.88 57.83 1g15 h LEU 49 Cb -0.05 -0.13 -0.08 0.00 1.08 0.00 0.00 40.66 41.48 1g15 h LEU 49 CO -0.05 0.85 0.54 -0.03 -1.08 0.00 0.00 178.44 178.68 1g15 h MET 50 N 0.09 0.84 -0.71 1.13 4.05 -0.40 -0.97 114.93 118.96 1g15 h MET 50 Ca 0.03 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1g15 h MET 50 Cb 0.72 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 1g15 h MET 50 CO 0.04 0.55 0.44 0.00 0.23 0.00 0.00 176.91 178.18 1g15 h ALA 51 N 1.51 0.90 -0.19 0.39 0.00 -1.08 -0.84 119.26 119.95 1g15 h ALA 51 Ca 0.45 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1g15 h ALA 51 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1g15 h ALA 51 CO -0.27 0.36 -0.02 0.00 0.00 0.00 0.00 179.25 179.32 1g15 h ALA 52 N 1.24 0.26 0.39 0.00 0.00 -1.32 -2.86 119.26 116.97 1g15 h ALA 52 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1g15 h ALA 52 Cb -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1g15 h ALA 52 CO -0.05 0.01 -0.48 0.82 0.00 0.00 0.00 179.25 179.55 1g15 h ILE 53 N 0.09 0.00 -0.60 0.00 2.04 -0.93 0.19 117.51 118.30 1g15 h ILE 53 Ca 0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.03 1g15 h ILE 53 Cb 0.44 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.43 1g15 h ILE 53 CO 0.01 0.00 0.05 0.58 0.00 0.00 0.00 178.15 178.79 1g15 h VAL 54 N -0.89 0.55 -0.01 1.67 2.07 -1.24 0.37 116.25 118.77 1g15 h VAL 54 Ca -0.05 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1g15 h VAL 54 Cb 0.79 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1g15 h VAL 54 CO -0.11 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.52 1g15 h ALA 55 N 1.52 0.02 -0.52 1.67 0.00 -1.28 -2.54 119.26 118.13 1g15 h ALA 55 Ca 0.31 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1g15 h ALA 55 Cb 0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1g15 h ALA 55 CO -0.47 -0.39 0.08 -0.07 0.00 0.00 0.00 179.25 178.40 1g15 h LEU 56 N -0.16 0.78 0.00 0.00 3.38 -0.64 -2.02 115.31 116.65 1g15 h LEU 56 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1g15 h LEU 56 Cb 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1g15 h LEU 56 CO -0.00 0.79 0.00 -0.62 0.09 0.00 0.00 178.44 178.70 1g15 n GLU 57 N -4.25 0.04 0.14 1.13 1.02 0.09 -2.30 120.64 116.51 1g15 n GLU 57 Ca 0.03 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.47 1g15 n GLU 57 Cb 0.25 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 30.49 1g15 n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g15 h ALA 58 N 2.67 0.97 -2.33 0.62 0.00 -0.92 -3.44 119.26 116.83 1g15 h ALA 58 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1g15 h ALA 58 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1g15 h ALA 58 CO 0.00 0.00 0.47 -0.51 0.00 0.00 0.00 179.25 179.21 1g15 s LEU 59 N -5.05 4.29 -0.47 0.00 1.43 -0.97 -4.95 118.68 112.97 1g15 s LEU 59 Ca 0.09 1.56 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 1g15 s LEU 59 Cb 0.10 -3.54 0.52 0.00 0.03 0.00 0.00 46.19 43.30 1g15 s LEU 59 CO 0.63 -0.37 1.75 0.29 0.23 0.00 0.00 176.35 178.88 1g15 n LYS 60 N 4.56 2.54 -3.64 1.70 4.01 -1.26 -4.96 118.16 121.10 1g15 n LYS 60 Ca 0.07 -3.34 -0.02 0.00 -0.51 0.00 0.00 58.31 54.51 1g15 n LYS 60 Cb 0.50 -2.16 -0.04 0.00 -0.51 0.00 0.00 35.03 32.82 1g15 n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1g15 s GLU 61 N -3.53 0.05 0.43 1.97 -1.05 -1.26 -5.15 118.70 110.16 1g15 s GLU 61 Ca 0.56 0.01 -0.26 0.00 -0.15 0.00 0.00 54.97 55.14 1g15 s GLU 61 Cb 0.46 0.02 -0.08 0.00 -0.44 0.00 0.00 34.13 34.09 1g15 s GLU 61 CO 0.03 -0.02 1.39 -1.01 0.95 0.00 0.00 175.26 176.60 1g15 s HIS 62 N -1.10 2.58 0.02 4.83 3.76 -1.26 -5.01 115.29 119.11 1g15 s HIS 62 Ca 0.09 1.31 -0.28 0.00 -0.15 0.00 0.00 55.06 56.03 1g15 s HIS 62 Cb -0.01 -3.84 0.10 0.00 1.11 0.00 0.00 32.58 29.93 1g15 s HIS 62 CO -0.08 -2.67 0.86 0.00 -0.85 0.00 0.00 174.74 172.01 1g15 s ALA 63 N -1.22 -1.79 -0.40 -1.40 0.00 -1.26 -5.08 121.76 110.61 1g15 s ALA 63 Ca 0.59 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 53.18 1g15 s ALA 63 Cb -0.42 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1g15 s ALA 63 CO 0.54 -0.71 1.28 -1.21 0.00 0.00 0.00 175.76 175.66 1g15 s GLU 64 N -3.19 3.73 -0.14 0.00 2.02 -0.92 -3.14 118.70 117.07 1g15 s GLU 64 Ca 0.05 0.91 -0.02 0.00 0.02 0.00 0.00 54.97 55.92 1g15 s GLU 64 Cb -0.01 -3.94 -0.03 0.00 0.10 0.00 0.00 34.13 30.26 1g15 s GLU 64 CO -0.09 -1.36 -0.05 0.08 0.02 0.00 0.00 175.26 173.86 1g15 s VAL 65 N 4.77 3.76 -0.34 2.63 1.01 -1.01 0.55 120.40 131.78 1g15 s VAL 65 Ca 0.55 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 1g15 s VAL 65 Cb -0.12 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.69 1g15 s VAL 65 CO 0.29 0.52 0.09 -0.51 0.00 0.00 0.00 175.10 175.49 1g15 s ILE 66 N 0.13 3.56 -0.27 2.22 1.10 -0.17 -0.25 121.20 127.52 1g15 s ILE 66 Ca -0.02 -1.28 -0.11 0.00 -0.51 0.00 0.00 60.65 58.73 1g15 s ILE 66 Cb -0.14 -3.06 -0.05 0.00 0.15 0.00 0.00 42.46 39.36 1g15 s ILE 66 CO 0.03 -0.22 0.18 -0.22 -2.11 0.00 0.00 174.94 172.60 1g15 s LEU 67 N 1.34 4.03 -0.14 8.50 0.20 -0.06 -0.81 118.68 131.74 1g15 s LEU 67 Ca -0.02 0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.82 1g15 s LEU 67 Cb -0.20 -2.11 -0.01 0.00 -0.43 0.00 0.00 46.19 43.44 1g15 s LEU 67 CO 0.01 -0.02 -0.14 -0.55 -0.29 0.00 0.00 176.35 175.37 1g15 s SER 68 N 1.55 3.83 -0.08 3.68 0.15 0.76 -0.51 113.70 123.08 1g15 s SER 68 Ca 0.07 -0.40 -0.26 0.00 0.70 0.00 0.00 55.95 56.07 1g15 s SER 68 Cb -0.15 -1.59 0.06 0.00 -1.71 0.00 0.00 66.02 62.63 1g15 s SER 68 CO 0.09 0.12 0.59 0.28 1.20 0.00 0.00 173.24 175.52 1g15 s THR 69 N 0.59 0.01 -2.12 6.45 -1.32 -1.11 -1.63 115.64 116.51 1g15 s THR 69 Ca -0.08 -0.10 0.17 0.00 -1.21 0.00 0.00 61.69 60.47 1g15 s THR 69 Cb -0.16 -0.89 0.43 0.00 -1.51 0.00 0.00 72.50 70.38 1g15 s THR 69 CO 0.03 -0.06 1.40 -0.90 -2.21 0.00 0.00 174.62 172.89 1g15 n ASP 70 N 1.35 2.50 -4.66 8.08 5.75 -1.26 -2.52 116.55 125.79 1g15 n ASP 70 Ca -0.19 -1.94 -0.42 0.00 -0.01 0.00 0.00 54.79 52.23 1g15 n ASP 70 Cb 0.57 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 1g15 n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1g15 s SER 71 N -1.19 6.77 0.22 -1.12 0.15 -1.26 -4.87 113.70 112.40 1g15 s SER 71 Ca 0.33 2.06 0.08 0.00 0.70 0.00 0.00 55.95 59.12 1g15 s SER 71 Cb 0.18 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 62.11 1g15 s SER 71 CO 0.24 -0.85 1.50 1.56 1.20 0.00 0.00 173.24 176.88 1g15 h GLN 72 N 8.95 0.05 0.16 5.44 4.20 -1.95 -2.52 115.11 129.44 1g15 h GLN 72 Ca -0.35 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 1g15 h GLN 72 Cb 1.15 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1g15 h GLN 72 CO 0.95 0.77 -0.08 -0.92 -0.67 0.00 0.00 178.83 178.89 1g15 h TYR 73 N 0.03 -0.20 -0.79 2.96 3.20 -1.98 -1.45 116.97 118.74 1g15 h TYR 73 Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1g15 h TYR 73 Cb 1.31 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.61 1g15 h TYR 73 CO 0.01 0.08 0.51 0.28 -1.64 0.00 0.00 178.16 177.39 1g15 h VAL 74 N -0.47 1.21 -0.27 1.81 2.07 -1.93 -0.20 116.25 118.48 1g15 h VAL 74 Ca -0.02 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1g15 h VAL 74 Cb 0.36 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1g15 h VAL 74 CO 0.04 0.21 0.15 -0.09 0.02 0.00 0.00 177.57 177.90 1g15 h ARG 75 N 1.07 0.37 -0.04 1.57 2.43 -1.39 0.28 114.38 118.67 1g15 h ARG 75 Ca 0.29 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1g15 h ARG 75 Cb -0.09 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1g15 h ARG 75 CO -0.06 0.31 0.02 0.37 -1.51 0.00 0.00 179.97 179.10 1g15 h GLN 76 N 0.33 0.07 -0.59 0.20 5.75 -1.07 -0.49 115.11 119.31 1g15 h GLN 76 Ca 0.10 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.66 1g15 h GLN 76 Cb 0.04 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.52 1g15 h GLN 76 CO -0.02 0.23 0.24 0.78 -2.65 0.00 0.00 178.83 177.42 1g15 h GLY 77 N -0.11 0.83 1.35 2.39 0.00 -0.85 0.35 103.07 107.02 1g15 h GLY 77 Ca 0.01 -0.14 -0.21 0.00 0.00 0.00 0.00 47.33 46.99 1g15 h GLY 77 CO -0.00 0.02 -0.77 -2.22 0.00 0.00 0.00 176.54 173.57 1g15 h ILE 78 N 0.45 1.32 0.00 2.60 1.08 -0.85 0.81 117.51 122.91 1g15 h ILE 78 Ca 0.29 -2.05 -0.04 0.00 -0.39 0.00 0.00 64.86 62.66 1g15 h ILE 78 Cb 0.31 2.05 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1g15 h ILE 78 CO -0.26 0.64 -1.43 0.35 -0.69 0.00 0.00 178.15 176.75 1g15 n THR 79 N -3.89 0.56 0.00 -0.27 -2.24 -0.20 -4.62 114.28 103.62 1g15 n THR 79 Ca -0.06 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1g15 n THR 79 Cb 0.74 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1g15 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g15 n GLN 80 N -2.59 3.09 -0.08 -0.78 1.13 0.12 -4.96 117.38 113.31 1g15 n GLN 80 Ca -0.04 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.90 1g15 n GLN 80 Cb 0.63 -0.91 -0.07 0.00 0.11 0.00 0.00 30.24 30.00 1g15 n GLN 80 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1g15 n TRP 81 N -1.69 0.00 -0.34 1.08 8.01 -1.01 -4.72 117.44 118.77 1g15 n TRP 81 Ca 0.00 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.16 1g15 n TRP 81 Cb 0.37 -0.61 0.02 0.00 -2.01 0.00 0.00 31.31 29.08 1g15 n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1g15 h ILE 82 N -0.09 0.04 -0.58 -0.99 6.09 0.37 0.27 117.51 122.62 1g15 h ILE 82 Ca -0.37 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.15 1g15 h ILE 82 Cb 1.53 0.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.82 1g15 h ILE 82 CO -0.09 0.00 0.38 1.12 -3.07 0.00 0.00 178.15 176.49 1g15 h HIS 83 N -0.04 0.67 -0.09 2.19 2.07 -1.86 -1.57 115.15 116.52 1g15 h HIS 83 Ca 0.31 0.02 -0.24 0.00 -2.85 0.00 0.00 60.37 57.61 1g15 h HIS 83 Cb 0.58 -0.22 0.01 0.00 2.57 0.00 0.00 27.41 30.35 1g15 h HIS 83 CO -0.83 0.40 -0.87 -0.91 -3.07 0.00 0.00 177.93 172.65 1g15 h ASN 84 N 0.70 0.92 -0.33 3.10 2.35 -1.30 -2.25 115.58 118.77 1g15 h ASN 84 Ca 0.23 -0.68 0.01 0.00 -0.55 0.00 0.00 56.30 55.30 1g15 h ASN 84 Cb 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1g15 h ASN 84 CO -0.06 1.46 0.22 -0.50 -1.65 0.00 0.00 177.43 176.89 1g15 h TRP 85 N 0.45 0.41 -0.78 1.19 6.55 -0.71 -0.70 115.95 122.35 1g15 h TRP 85 Ca -0.08 0.01 -0.05 0.00 0.95 0.00 0.00 58.89 59.71 1g15 h TRP 85 Cb 1.51 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 29.64 1g15 h TRP 85 CO 0.10 0.25 0.29 0.87 -1.05 0.00 0.00 178.44 178.90 1g15 h LYS 86 N 0.44 1.19 0.00 0.49 1.57 -1.34 0.75 116.57 119.67 1g15 h LYS 86 Ca 0.12 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1g15 h LYS 86 Cb -0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1g15 h LYS 86 CO -0.03 0.98 -0.38 0.00 -0.57 0.00 0.00 179.45 179.44 1g15 h ALA 87 N 1.15 1.31 -0.13 3.86 0.00 -1.07 -2.79 119.26 121.59 1g15 h ALA 87 Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1g15 h ALA 87 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1g15 h ALA 87 CO -0.02 0.47 0.00 0.54 0.00 0.00 0.00 179.25 180.25 1g15 n ARG 88 N -3.99 1.77 -2.15 0.00 1.74 -0.30 -4.91 116.66 108.82 1g15 n ARG 88 Ca -0.02 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 55.92 1g15 n ARG 88 Cb 0.42 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1g15 n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1g15 n GLY 89 N 1.17 0.74 3.68 -0.13 0.00 -0.99 -3.88 105.19 105.77 1g15 n GLY 89 Ca 0.17 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 1g15 n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1g15 n TRP 90 N -3.02 -2.31 -4.53 1.61 7.02 0.26 -5.01 117.44 111.46 1g15 n TRP 90 Ca 0.00 0.82 -0.21 0.00 -1.02 0.00 0.00 57.50 57.09 1g15 n TRP 90 Cb 0.47 -4.10 -0.15 0.00 -2.42 0.00 0.00 31.31 25.11 1g15 n TRP 90 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1g15 s LYS 91 N -6.38 1.02 0.00 -0.99 2.20 -1.25 -3.07 119.74 111.27 1g15 s LYS 91 Ca 0.58 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1g15 s LYS 91 Cb -0.28 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.06 1g15 s LYS 91 CO 0.71 0.24 0.00 -2.30 -0.36 0.00 0.00 175.35 173.64 1g15 n PRO 97 N 2.87 2.69 -2.24 4.03 -0.02 -1.26 -4.86 135.00 136.22 1g15 n PRO 97 Ca -0.15 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.97 1g15 n PRO 97 Cb 0.55 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.03 1g15 n PRO 97 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1g15 s VAL 98 N 1.70 3.09 0.28 -1.45 1.01 -1.17 -4.96 120.40 118.90 1g15 s VAL 98 Ca 0.00 0.76 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 1g15 s VAL 98 Cb 0.00 -3.35 -0.11 0.00 0.00 0.00 0.00 36.38 32.92 1g15 s VAL 98 CO 0.00 -0.07 1.60 -0.75 0.00 0.00 0.00 175.10 175.88 1g15 s LYS 99 N -2.95 4.13 -1.82 2.72 2.20 -1.26 -1.47 119.74 121.29 1g15 s LYS 99 Ca 0.68 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.85 1g15 s LYS 99 Cb -0.27 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1g15 s LYS 99 CO 0.32 -0.63 0.00 0.09 -0.36 0.00 0.00 175.35 174.77 1g15 n ASN 100 N 2.39 -5.91 -0.17 1.43 3.02 -1.26 -4.86 115.26 109.90 1g15 n ASN 100 Ca 0.09 0.02 0.07 0.00 -0.03 0.00 0.00 54.58 54.73 1g15 n ASN 100 Cb 0.37 -4.93 0.36 0.00 -0.61 0.00 0.00 39.78 34.97 1g15 n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1g15 h VAL 101 N 0.00 1.01 -0.53 2.41 3.04 -1.63 -1.53 116.25 119.03 1g15 h VAL 101 Ca -0.49 -0.25 0.08 0.00 -1.01 0.00 0.00 66.70 65.02 1g15 h VAL 101 Cb 1.37 0.22 -0.06 0.00 -2.01 0.00 0.00 31.29 30.80 1g15 h VAL 101 CO 0.59 0.13 0.17 -2.24 -1.01 0.00 0.00 177.57 175.21 1g15 h ASP 102 N 0.73 0.15 0.00 3.17 2.03 -1.89 0.55 116.42 121.17 1g15 h ASP 102 Ca 0.31 0.07 -0.15 0.00 -0.73 0.00 0.00 57.03 56.53 1g15 h ASP 102 Cb 0.27 0.07 0.01 0.00 -0.83 0.00 0.00 39.33 38.85 1g15 h ASP 102 CO -0.10 0.11 -0.58 -0.07 -1.03 0.00 0.00 179.24 177.56 1g15 h LEU 103 N 0.34 0.51 -0.59 0.15 3.38 -1.79 -2.75 115.31 114.56 1g15 h LEU 103 Ca 0.26 -0.77 0.06 0.00 0.09 0.00 0.00 57.88 57.52 1g15 h LEU 103 Cb 0.30 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1g15 h LEU 103 CO -0.28 1.21 0.30 -0.50 0.09 0.00 0.00 178.44 179.27 1g15 h TRP 104 N -0.13 0.55 -0.77 1.13 4.06 -1.06 0.34 115.95 120.07 1g15 h TRP 104 Ca -0.07 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.85 1g15 h TRP 104 Cb 1.30 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 29.27 1g15 h TRP 104 CO 0.15 0.26 0.30 1.96 -3.56 0.00 0.00 178.44 177.54 1g15 h GLN 105 N 0.57 1.15 -0.25 0.49 4.20 -0.98 0.25 115.11 120.55 1g15 h GLN 105 Ca 0.26 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1g15 h GLN 105 Cb 0.18 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1g15 h GLN 105 CO -0.18 0.94 0.16 -0.09 -0.67 0.00 0.00 178.83 178.99 1g15 h ARG 106 N 1.12 0.33 -0.36 1.46 1.12 -0.98 -1.40 114.38 115.66 1g15 h ARG 106 Ca 0.25 -0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 59.05 1g15 h ARG 106 Cb 0.23 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 1g15 h ARG 106 CO -0.02 0.22 0.02 1.25 -3.11 0.00 0.00 179.97 178.33 1g15 h LEU 107 N 0.33 0.60 -0.39 3.80 5.85 0.02 -2.49 115.31 123.04 1g15 h LEU 107 Ca 0.09 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.60 1g15 h LEU 107 Cb -0.04 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.75 1g15 h LEU 107 CO -0.02 0.75 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.93 1g15 h ASP 108 N 0.44 -0.43 -0.00 1.25 -0.00 -0.26 0.76 116.42 118.18 1g15 h ASP 108 Ca 0.10 0.13 0.03 0.00 -0.00 0.00 0.00 57.03 57.29 1g15 h ASP 108 Cb 0.42 0.27 -0.04 0.00 -0.00 0.00 0.00 39.33 39.99 1g15 h ASP 108 CO 0.01 -0.15 -0.19 0.00 -0.00 0.00 0.00 179.24 178.91 1g15 h ALA 109 N 1.33 -0.23 -0.68 -0.78 0.00 -1.13 -1.98 119.26 115.79 1g15 h ALA 109 Ca 0.19 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1g15 h ALA 109 Cb 0.32 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1g15 h ALA 109 CO -0.42 -0.68 0.34 0.00 0.00 0.00 0.00 179.25 178.49 1g15 h ALA 110 N 0.61 0.93 0.00 0.00 0.00 -0.91 0.24 119.26 120.13 1g15 h ALA 110 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1g15 h ALA 110 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1g15 h ALA 110 CO -0.18 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.30 1g15 n LEU 111 N -4.87 0.00 0.10 0.00 4.77 0.19 -3.57 117.00 113.62 1g15 n LEU 111 Ca 0.10 0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 56.11 1g15 n LEU 111 Cb 0.25 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1g15 n LEU 111 CO 0.25 -0.05 0.25 1.23 -1.33 0.00 0.00 177.39 177.74 1g15 h GLY 112 N 2.86 -0.36 -3.31 -0.72 0.00 0.22 -3.32 103.07 98.44 1g15 h GLY 112 Ca 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 1g15 h GLY 112 CO 0.00 -0.13 0.18 0.61 0.00 0.00 0.00 176.54 177.20 1g15 n GLN 113 N -5.00 1.44 -3.71 4.80 10.64 -1.23 -4.83 117.38 119.49 1g15 n GLN 113 Ca -0.06 -0.81 -0.13 0.00 -1.83 0.00 0.00 57.00 54.17 1g15 n GLN 113 Cb 0.20 -1.35 -0.07 0.00 -0.86 0.00 0.00 30.24 28.16 1g15 n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1g15 s HIS 114 N -0.80 -0.23 -1.08 2.61 3.76 -1.25 -4.42 115.29 113.88 1g15 s HIS 114 Ca 0.19 0.25 -0.11 0.00 -0.15 0.00 0.00 55.06 55.24 1g15 s HIS 114 Cb 0.13 0.16 0.24 0.00 1.11 0.00 0.00 32.58 34.23 1g15 s HIS 114 CO -0.01 -0.49 1.12 -0.65 -0.85 0.00 0.00 174.74 173.86 1g15 s GLN 115 N -1.96 4.07 0.03 1.40 -1.52 -1.19 -4.97 119.66 115.53 1g15 s GLN 115 Ca -0.09 -2.93 -0.30 0.00 -1.95 0.00 0.00 55.36 50.09 1g15 s GLN 115 Cb -0.02 -4.65 -0.04 0.00 -0.22 0.00 0.00 33.01 28.08 1g15 s GLN 115 CO 0.01 -1.37 1.02 0.42 -0.25 0.00 0.00 175.29 175.13 1g15 s ILE 116 N -0.37 4.65 -0.21 1.08 1.09 -1.26 -2.39 121.20 123.79 1g15 s ILE 116 Ca 0.31 1.93 0.01 0.00 -1.10 0.00 0.00 60.65 61.80 1g15 s ILE 116 Cb -0.08 -4.24 0.03 0.00 -1.06 0.00 0.00 42.46 37.11 1g15 s ILE 116 CO -0.07 0.17 -0.15 -0.75 -0.10 0.00 0.00 174.94 174.04 1g15 s LYS 117 N 0.90 2.78 0.11 2.79 2.20 0.66 -4.99 119.74 124.19 1g15 s LYS 117 Ca 0.53 -0.98 -0.20 0.00 -0.36 0.00 0.00 55.97 54.96 1g15 s LYS 117 Cb -0.23 -2.73 -0.07 0.00 -1.51 0.00 0.00 37.83 33.29 1g15 s LYS 117 CO 0.29 -0.33 0.61 -1.58 -0.36 0.00 0.00 175.35 173.97 1g15 s TRP 118 N 1.25 3.78 -0.36 4.03 0.52 -1.26 -0.88 118.94 126.02 1g15 s TRP 118 Ca 0.01 1.32 0.01 0.00 0.02 0.00 0.00 56.10 57.45 1g15 s TRP 118 Cb -0.15 -2.54 0.12 0.00 -1.15 0.00 0.00 33.47 29.75 1g15 s TRP 118 CO -0.09 0.53 0.15 -2.00 0.02 0.00 0.00 176.95 175.57 1g15 s GLU 119 N -1.30 0.95 -0.08 4.98 2.12 0.33 -4.92 118.70 120.78 1g15 s GLU 119 Ca 0.32 -1.47 -0.30 0.00 0.36 0.00 0.00 54.97 53.89 1g15 s GLU 119 Cb -0.19 -2.14 -0.02 0.00 0.26 0.00 0.00 34.13 32.04 1g15 s GLU 119 CO 0.20 -1.06 1.05 -1.58 -0.54 0.00 0.00 175.26 173.33 1g15 s TRP 120 N 1.09 3.46 0.49 5.30 0.52 -1.26 -2.76 118.94 125.77 1g15 s TRP 120 Ca 0.13 1.52 0.06 0.00 0.02 0.00 0.00 56.10 57.83 1g15 s TRP 120 Cb -0.20 -3.24 0.00 0.00 -1.15 0.00 0.00 33.47 28.88 1g15 s TRP 120 CO -0.13 -0.45 0.28 0.14 0.02 0.00 0.00 176.95 176.80 1g15 s VAL 121 N 1.96 1.86 -0.23 4.03 -7.23 -1.05 -4.97 120.40 114.77 1g15 s VAL 121 Ca 0.50 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 1g15 s VAL 121 Cb -0.20 -2.47 0.06 0.00 0.56 0.00 0.00 36.38 34.33 1g15 s VAL 121 CO 0.20 0.00 -0.06 -0.83 -0.31 0.00 0.00 175.10 174.09 1g15 s GLY 126 N -4.10 1.32 -0.07 2.32 0.00 -1.26 -4.41 107.32 101.11 1g15 s GLY 126 Ca 0.33 -1.37 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1g15 s GLY 126 CO 0.20 0.88 -0.17 0.30 0.00 0.00 0.00 173.10 174.31 1g15 s HIS 127 N 1.37 1.88 -0.04 1.90 3.76 -1.26 -4.98 115.29 117.92 1g15 s HIS 127 Ca -0.06 -0.71 0.29 0.00 -0.15 0.00 0.00 55.06 54.43 1g15 s HIS 127 Cb -0.19 -1.30 1.44 0.00 1.11 0.00 0.00 32.58 33.63 1g15 s HIS 127 CO -0.06 -0.31 1.87 -1.35 -0.85 0.00 0.00 174.74 174.04 1g15 h PRO 128 N 6.78 0.00 -0.25 8.40 0.11 -2.06 -2.30 132.00 142.68 1g15 h PRO 128 Ca -0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1g15 h PRO 128 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1g15 h PRO 128 CO 0.47 0.00 -0.02 0.93 -0.21 0.00 0.00 178.00 179.17 1g15 h GLU 129 N 0.00 0.38 -0.48 1.05 3.07 -1.99 -1.21 114.58 115.40 1g15 h GLU 129 Ca 0.00 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.72 1g15 h GLU 129 Cb 0.14 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1g15 h GLU 129 CO 0.00 0.43 0.04 -0.91 -1.40 0.00 0.00 179.01 177.17 1g15 h ASN 130 N 0.37 0.73 -0.02 1.42 4.21 -1.79 -1.10 115.58 119.41 1g15 h ASN 130 Ca 0.08 -0.16 -0.16 0.00 1.21 0.00 0.00 56.30 57.28 1g15 h ASN 130 Cb 0.29 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1g15 h ASN 130 CO 0.01 0.77 -0.53 -0.08 -1.29 0.00 0.00 177.43 176.31 1g15 h GLU 131 N 0.73 0.60 -0.71 0.81 4.81 -1.43 -1.61 114.58 117.78 1g15 h GLU 131 Ca 0.15 -0.37 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1g15 h GLU 131 Cb 0.39 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1g15 h GLU 131 CO 0.01 0.98 0.45 0.00 -0.73 0.00 0.00 179.01 179.72 1g15 h ARG 132 N 0.46 0.85 -0.66 1.92 2.47 -0.71 0.18 114.38 118.89 1g15 h ARG 132 Ca 0.01 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 1g15 h ARG 132 Cb 1.08 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.18 1g15 h ARG 132 CO 0.10 0.56 0.26 0.00 0.56 0.00 0.00 179.97 181.46 1g15 h ALA 133 N 1.30 0.86 -0.12 0.04 0.00 -0.98 -1.59 119.26 118.77 1g15 h ALA 133 Ca 0.29 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1g15 h ALA 133 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1g15 h ALA 133 CO -0.11 0.48 -0.08 0.22 0.00 0.00 0.00 179.25 179.77 1g15 h ASP 134 N 0.94 -0.25 -0.82 0.00 3.58 -0.62 -0.25 116.42 119.00 1g15 h ASP 134 Ca 0.22 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.74 1g15 h ASP 134 Cb 0.22 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 1g15 h ASP 134 CO -0.02 -0.11 0.54 -0.33 -2.88 0.00 0.00 179.24 176.45 1g15 h GLU 135 N -0.08 1.07 -0.30 0.28 5.08 -0.65 -1.15 114.58 118.83 1g15 h GLU 135 Ca 0.07 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1g15 h GLU 135 Cb 0.19 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1g15 h GLU 135 CO -0.17 0.71 0.10 -0.07 -1.00 0.00 0.00 179.01 178.58 1g15 h LEU 136 N 1.10 0.43 -0.64 1.33 3.38 -0.97 -1.43 115.31 118.52 1g15 h LEU 136 Ca 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1g15 h LEU 136 Cb -0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1g15 h LEU 136 CO -0.07 0.51 0.30 0.00 0.09 0.00 0.00 178.44 179.28 1g15 h ALA 137 N 0.93 0.83 -0.43 1.53 0.00 -0.72 -1.12 119.26 120.29 1g15 h ALA 137 Ca 0.10 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1g15 h ALA 137 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1g15 h ALA 137 CO -0.00 0.40 -0.02 0.00 0.00 0.00 0.00 179.25 179.62 1g15 h ARG 138 N 0.89 0.77 -0.72 0.00 3.08 -1.15 -1.28 114.38 115.97 1g15 h ARG 138 Ca 0.22 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1g15 h ARG 138 Cb 0.13 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1g15 h ARG 138 CO -0.03 0.86 0.43 0.00 -1.07 0.00 0.00 179.97 180.16 1g15 h ALA 139 N 0.89 0.91 -0.73 0.04 0.00 -1.07 -2.36 119.26 116.94 1g15 h ALA 139 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1g15 h ALA 139 Cb 0.52 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1g15 h ALA 139 CO 0.03 0.38 0.21 0.00 0.00 0.00 0.00 179.25 179.87 1g15 h ALA 140 N 1.23 1.01 -0.02 0.00 0.00 -0.98 -2.50 119.26 118.00 1g15 h ALA 140 Ca 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1g15 h ALA 140 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1g15 h ALA 140 CO -0.05 0.66 -0.15 0.00 0.00 0.00 0.00 179.25 179.72 1g15 h ALA 141 N 1.14 1.71 -0.00 0.00 0.00 -0.88 -1.33 119.26 119.91 1g15 h ALA 141 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1g15 h ALA 141 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1g15 h ALA 141 CO -0.01 0.21 -0.17 -1.33 0.00 0.00 0.00 179.25 177.96 1g15 n MET 142 N -4.35 0.27 -3.08 0.00 2.81 -0.92 -4.21 117.12 107.64 1g15 n MET 142 Ca -0.02 -0.09 -0.16 0.00 -1.81 0.00 0.00 57.70 55.62 1g15 n MET 142 Cb 0.22 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.22 1g15 n MET 142 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1g15 n ASN 143 N -1.29 0.70 -4.77 7.83 3.02 -0.54 -5.10 115.26 115.11 1g15 n ASN 143 Ca 0.10 -3.00 -0.41 0.00 -0.03 0.00 0.00 54.58 51.24 1g15 n ASN 143 Cb 0.31 -0.44 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 1g15 n ASN 143 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1g15 s PRO 144 N -2.34 4.31 0.00 3.52 0.04 -0.98 -4.56 135.00 135.00 1g15 s PRO 144 Ca 0.37 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1g15 s PRO 144 Cb 0.36 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1g15 s PRO 144 CO -0.06 -0.25 0.09 0.25 0.04 0.00 0.00 177.00 177.07 1g15 n THR 145 N 0.82 0.00 -4.45 1.26 -2.24 -0.55 -4.87 114.28 104.24 1g15 n THR 145 Ca 0.00 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 1g15 n THR 145 Cb 0.41 1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 1g15 n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1g15 s LEU 146 N -0.66 2.63 -0.06 3.22 1.43 -0.39 -5.01 118.68 119.83 1g15 s LEU 146 Ca 0.00 -1.42 0.04 0.00 -1.03 0.00 0.00 54.13 51.72 1g15 s LEU 146 Cb 0.00 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.24 1g15 s LEU 146 CO 0.00 -0.78 -0.18 -0.70 0.23 0.00 0.00 176.35 174.92 1g15 s GLU 147 N -3.93 2.06 -1.09 1.70 2.12 -1.26 -1.41 118.70 116.88 1g15 s GLU 147 Ca 0.23 -0.64 -0.19 0.00 0.36 0.00 0.00 54.97 54.72 1g15 s GLU 147 Cb 0.03 -1.71 0.09 0.00 0.26 0.00 0.00 34.13 32.80 1g15 s GLU 147 CO 0.13 0.20 1.44 0.34 -0.54 0.00 0.00 175.26 176.82 1g15 s ASP 148 N 0.20 6.70 0.45 -1.70 3.68 -1.26 -4.80 116.67 119.94 1g15 s ASP 148 Ca -0.09 -2.07 0.31 0.00 2.13 0.00 0.00 52.55 52.83 1g15 s ASP 148 Cb -0.14 -2.50 1.52 0.00 -1.45 0.00 0.00 42.92 40.34 1g15 s ASP 148 CO 0.04 -1.20 1.93 0.71 0.13 0.00 0.00 175.17 176.78 1g15 h THR 149 N 5.94 0.00 0.00 1.71 1.35 -1.97 -2.13 112.91 117.81 1g15 h THR 149 Ca 0.27 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1g15 h THR 149 Cb 0.96 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1g15 h THR 149 CO 1.33 0.00 -0.07 1.23 -0.25 0.00 0.00 175.52 177.76 1g15 h GLY 150 N 0.90 0.00 -7.31 5.82 0.00 -1.97 -3.39 103.07 97.11 1g15 h GLY 150 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 1g15 h GLY 150 CO 0.00 0.00 2.12 2.98 0.00 0.00 0.00 176.54 181.64 1g15 n TYR 151 N -2.30 4.34 0.60 5.60 4.19 -0.80 -4.97 117.16 123.82 1g15 n TYR 151 Ca 0.05 -3.00 0.07 0.00 3.31 0.00 0.00 57.90 58.33 1g15 n TYR 151 Cb 0.44 -2.41 0.06 0.00 0.49 0.00 0.00 39.34 37.92 1g15 n TYR 151 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81