#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k12 n ILE 2 N 0.00 -2.85 -1.66 2.52 0.13 -1.26 -5.07 119.36 111.16 1k12 n ILE 2 Ca 0.00 0.03 -0.31 0.00 -1.10 0.00 0.00 62.75 61.37 1k12 n ILE 2 Cb 0.00 -4.23 0.04 0.00 -0.84 0.00 0.00 39.64 34.61 1k12 n ILE 2 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 1k12 s PRO 3 N -2.37 3.02 0.32 9.51 0.04 -1.26 -4.99 135.00 139.27 1k12 s PRO 3 Ca 0.01 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 1k12 s PRO 3 Cb -0.00 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 1k12 s PRO 3 CO 0.12 -1.01 1.37 -1.91 0.04 0.00 0.00 177.00 175.62 1k12 n GLU 4 N -3.06 2.25 0.00 4.56 4.07 -1.26 -2.28 120.64 124.93 1k12 n GLU 4 Ca 0.07 0.79 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 1k12 n GLU 4 Cb 0.54 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.49 1k12 n GLU 4 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k12 n GLY 5 N 1.14 3.15 3.97 8.31 0.00 -1.26 -5.02 105.19 115.48 1k12 n GLY 5 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1k12 n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k12 s TYR 6 N -1.82 3.37 0.22 1.61 1.51 -0.97 0.27 117.35 121.53 1k12 s TYR 6 Ca 0.00 -0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.07 1k12 s TYR 6 Cb 0.00 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1k12 s TYR 6 CO 0.00 0.34 -0.12 -0.08 -1.11 0.00 0.00 175.55 174.58 1k12 s THR 7 N -2.03 1.70 -0.04 -0.71 -1.32 0.14 -4.59 115.64 108.79 1k12 s THR 7 Ca 0.36 -2.19 0.06 0.00 -1.21 0.00 0.00 61.69 58.72 1k12 s THR 7 Cb -0.09 -2.14 -0.02 0.00 -1.51 0.00 0.00 72.50 68.74 1k12 s THR 7 CO 0.29 -0.52 -0.22 -1.58 -2.21 0.00 0.00 174.62 170.38 1k12 s GLN 8 N -3.67 2.39 0.01 7.08 0.74 -1.26 -0.66 119.66 124.28 1k12 s GLN 8 Ca 0.24 -0.86 0.05 0.00 0.05 0.00 0.00 55.36 54.84 1k12 s GLN 8 Cb 0.00 -2.18 -0.02 0.00 1.10 0.00 0.00 33.01 31.92 1k12 s GLN 8 CO 0.08 0.51 -0.15 -2.00 -0.55 0.00 0.00 175.29 173.18 1k12 s GLU 9 N -0.47 1.14 -0.62 1.67 2.56 0.21 -4.94 118.70 118.25 1k12 s GLU 9 Ca 0.06 -0.64 -0.22 0.00 0.00 0.00 0.00 54.97 54.16 1k12 s GLU 9 Cb -0.11 -1.13 0.07 0.00 2.00 0.00 0.00 34.13 34.95 1k12 s GLU 9 CO 0.01 0.30 0.90 1.21 -0.56 0.00 0.00 175.26 177.12 1k12 s ASN 10 N -0.68 6.20 0.00 -1.70 3.04 -1.26 -1.08 114.94 119.47 1k12 s ASN 10 Ca 0.05 -0.94 0.30 0.00 0.04 0.00 0.00 52.86 52.30 1k12 s ASN 10 Cb -0.07 -2.40 1.38 0.00 -1.54 0.00 0.00 41.25 38.63 1k12 s ASN 10 CO 0.00 -1.33 1.94 1.33 -3.04 0.00 0.00 177.10 176.01 1k12 n VAL 11 N 5.89 0.00 0.12 -5.21 0.24 -0.07 -3.91 118.33 115.40 1k12 n VAL 11 Ca -0.04 -0.07 0.01 0.00 -2.04 0.00 0.00 64.34 62.20 1k12 n VAL 11 Cb 0.45 -0.12 0.34 0.00 -1.47 0.00 0.00 33.84 33.04 1k12 n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k12 h ALA 12 N 3.83 1.37 0.00 2.33 0.00 -1.88 -2.35 119.26 122.56 1k12 h ALA 12 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1k12 h ALA 12 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1k12 h ALA 12 CO 0.00 0.44 0.00 1.33 0.00 0.00 0.00 179.25 181.02 1k12 n VAL 13 N -4.17 1.23 0.70 0.00 0.24 -1.25 -1.30 118.33 113.78 1k12 n VAL 13 Ca -0.01 0.35 0.12 0.00 -2.04 0.00 0.00 64.34 62.76 1k12 n VAL 13 Cb 0.35 -1.22 0.23 0.00 -1.47 0.00 0.00 33.84 31.73 1k12 n VAL 13 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1k12 n ARG 14 N -1.70 0.20 -0.78 7.34 1.74 -0.88 -4.98 116.66 117.60 1k12 n ARG 14 Ca 0.02 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1k12 n ARG 14 Cb 0.13 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1k12 n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k12 n GLY 15 N 1.38 1.54 3.19 -0.13 0.00 -0.42 -4.83 105.19 105.94 1k12 n GLY 15 Ca 0.04 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.70 1k12 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k12 s LYS 16 N -1.63 2.64 0.24 1.61 -0.14 -0.56 -4.95 119.74 116.95 1k12 s LYS 16 Ca 0.00 -0.80 0.07 0.00 -1.36 0.00 0.00 55.97 53.88 1k12 s LYS 16 Cb 0.00 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 1k12 s LYS 16 CO 0.00 0.21 0.16 0.00 -0.76 0.00 0.00 175.35 174.96 1k12 s ALA 17 N 0.25 3.54 0.26 5.17 0.00 -1.26 -0.69 121.76 129.03 1k12 s ALA 17 Ca -0.14 -1.40 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 1k12 s ALA 17 Cb -0.16 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.72 1k12 s ALA 17 CO 0.07 0.30 0.67 -0.08 0.00 0.00 0.00 175.76 176.72 1k12 s THR 18 N -2.07 0.00 0.14 0.00 -1.32 -0.40 -4.62 115.64 107.37 1k12 s THR 18 Ca 0.32 -0.91 -0.09 0.00 -1.21 0.00 0.00 61.69 59.80 1k12 s THR 18 Cb -0.08 -1.88 -0.00 0.00 -1.51 0.00 0.00 72.50 69.03 1k12 s THR 18 CO 0.24 -0.01 0.26 0.00 -2.21 0.00 0.00 174.62 172.90 1k12 s GLN 19 N -3.91 1.05 0.17 7.08 -2.07 -1.26 -0.79 119.66 119.93 1k12 s GLN 19 Ca 0.11 -1.08 -0.14 0.00 -1.82 0.00 0.00 55.36 52.43 1k12 s GLN 19 Cb -0.05 0.37 0.13 0.00 -1.09 0.00 0.00 33.01 32.38 1k12 s GLN 19 CO 0.04 -0.37 1.74 0.66 -1.32 0.00 0.00 175.29 176.04 1k12 h SER 20 N 2.61 0.11 -3.20 12.60 4.64 -1.62 -3.44 113.55 125.25 1k12 h SER 20 Ca -0.33 0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1k12 h SER 20 Cb 1.22 0.06 -0.23 0.00 -0.31 0.00 0.00 62.40 63.14 1k12 h SER 20 CO 0.51 0.10 0.16 0.00 -0.87 0.00 0.00 176.83 176.72 1k12 s ALA 21 N -6.14 -1.93 0.36 5.18 0.00 -1.26 -5.04 121.76 112.92 1k12 s ALA 21 Ca -0.13 2.23 -0.15 0.00 0.00 0.00 0.00 51.96 53.91 1k12 s ALA 21 Cb 0.14 -1.41 -0.09 0.00 0.00 0.00 0.00 23.12 21.76 1k12 s ALA 21 CO 0.72 -0.35 0.77 -1.14 0.00 0.00 0.00 175.76 175.76 1k12 s GLN 22 N 1.12 3.97 0.22 0.00 0.74 -1.26 -0.84 119.66 123.61 1k12 s GLN 22 Ca -0.06 0.68 -0.31 0.00 0.05 0.00 0.00 55.36 55.72 1k12 s GLN 22 Cb -0.05 -2.39 -0.11 0.00 1.10 0.00 0.00 33.01 31.56 1k12 s GLN 22 CO -0.12 0.09 1.60 -1.17 -0.55 0.00 0.00 175.29 175.14 1k12 s LEU 23 N -3.22 4.37 0.36 3.68 2.96 -0.30 -3.75 118.68 122.78 1k12 s LEU 23 Ca 0.54 2.77 0.07 0.00 -0.22 0.00 0.00 54.13 57.30 1k12 s LEU 23 Cb -0.10 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 1k12 s LEU 23 CO 0.20 -0.87 0.33 -0.13 -1.32 0.00 0.00 176.35 174.56 1k12 s ARG 24 N 0.60 2.71 0.80 1.98 0.52 -1.26 -4.23 118.95 120.06 1k12 s ARG 24 Ca 0.69 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1k12 s ARG 24 Cb -0.46 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.53 1k12 s ARG 24 CO 0.37 0.01 0.00 0.41 0.02 0.00 0.00 175.30 176.11 1k12 n GLY 25 N -1.44 -0.72 0.34 -3.53 0.00 -1.26 -4.47 105.19 94.10 1k12 n GLY 25 Ca -0.00 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.48 1k12 n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k12 h GLU 26 N 0.00 0.03 -0.47 1.61 4.81 -2.06 -0.87 114.58 117.63 1k12 h GLU 26 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1k12 h GLU 26 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1k12 h GLU 26 CO 0.00 0.02 0.00 0.72 -0.73 0.00 0.00 179.01 179.02 1k12 n HIS 27 N -5.47 0.95 -0.17 0.92 8.25 -1.26 -4.61 115.22 113.84 1k12 n HIS 27 Ca 0.22 -0.62 0.21 0.00 -0.26 0.00 0.00 57.72 57.28 1k12 n HIS 27 Cb 0.73 -0.16 0.60 0.00 1.12 0.00 0.00 29.99 32.28 1k12 n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k12 h ALA 28 N 2.88 2.42 0.00 -1.41 0.00 -1.32 -1.95 119.26 119.88 1k12 h ALA 28 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k12 h ALA 28 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1k12 h ALA 28 CO 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 179.25 178.71 1k12 h ALA 29 N 1.62 1.00 -0.18 0.00 0.00 -1.81 -2.61 119.26 117.28 1k12 h ALA 29 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1k12 h ALA 29 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1k12 h ALA 29 CO -0.09 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.25 1k12 n ASN 30 N -2.62 3.10 -0.92 0.00 3.02 -0.73 -4.64 115.26 112.47 1k12 n ASN 30 Ca 0.01 -1.95 0.12 0.00 -0.03 0.00 0.00 54.58 52.73 1k12 n ASN 30 Cb 0.22 -0.11 0.15 0.00 -0.61 0.00 0.00 39.78 39.43 1k12 n ASN 30 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1k12 n SER 31 N 1.33 2.87 -4.62 6.41 7.64 -0.98 -4.35 113.62 121.91 1k12 n SER 31 Ca 0.15 -1.95 -0.47 0.00 1.01 0.00 0.00 58.87 57.62 1k12 n SER 31 Cb 0.57 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 1k12 n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1k12 n GLU 32 N 1.24 1.53 -0.17 1.43 -0.58 -1.26 -2.10 120.64 120.71 1k12 n GLU 32 Ca 0.15 0.54 0.17 0.00 -0.42 0.00 0.00 57.16 57.60 1k12 n GLU 32 Cb 0.58 -2.08 0.52 0.00 -0.57 0.00 0.00 31.44 29.89 1k12 n GLU 32 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k12 h ALA 33 N 3.42 2.17 0.00 0.62 0.00 -1.91 -0.55 119.26 123.00 1k12 h ALA 33 Ca -0.43 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1k12 h ALA 33 Cb 1.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1k12 h ALA 33 CO 0.70 -0.38 -0.01 0.66 0.00 0.00 0.00 179.25 180.22 1k12 h SER 34 N 0.38 0.00 0.02 0.00 4.64 -1.89 -2.83 113.55 113.87 1k12 h SER 34 Ca 0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1k12 h SER 34 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1k12 h SER 34 CO -0.12 0.01 -0.01 0.78 -0.87 0.00 0.00 176.83 176.62 1k12 h ASN 35 N 0.00 0.00 0.31 4.97 2.35 -1.40 -2.05 115.58 119.75 1k12 h ASN 35 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1k12 h ASN 35 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1k12 h ASN 35 CO 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 1k12 n ALA 36 N -2.35 2.49 -2.46 -0.83 0.00 -1.07 -3.60 120.51 112.69 1k12 n ALA 36 Ca -0.03 -0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.27 1k12 n ALA 36 Cb 0.09 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.12 1k12 n ALA 36 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1k12 n ILE 37 N -1.16 0.74 -0.14 0.00 -5.35 -0.78 -0.45 119.36 112.23 1k12 n ILE 37 Ca 0.17 -1.96 0.08 0.00 -0.27 0.00 0.00 62.75 60.78 1k12 n ILE 37 Cb 0.17 0.82 0.29 0.00 -1.74 0.00 0.00 39.64 39.18 1k12 n ILE 37 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1k12 n ASP 38 N -0.05 3.78 -1.20 7.28 5.75 -1.21 -4.51 116.55 126.38 1k12 n ASP 38 Ca 0.10 -2.24 -0.13 0.00 -0.01 0.00 0.00 54.79 52.51 1k12 n ASP 38 Cb 0.99 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 40.56 1k12 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k12 n GLY 39 N 1.17 0.70 2.85 6.12 0.00 -1.26 -5.02 105.19 109.75 1k12 n GLY 39 Ca 0.21 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1k12 n GLY 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k12 s ASN 40 N -2.67 2.07 0.00 1.61 3.84 -1.26 -5.02 114.94 113.51 1k12 s ASN 40 Ca 0.00 -0.29 0.23 0.00 0.21 0.00 0.00 52.86 53.02 1k12 s ASN 40 Cb 0.00 -0.70 1.01 0.00 -0.55 0.00 0.00 41.25 41.01 1k12 s ASN 40 CO 0.00 -0.16 1.70 0.54 -2.79 0.00 0.00 177.10 176.39 1k12 n ARG 41 N 5.01 1.50 -1.70 0.43 1.74 -1.26 -4.65 116.66 117.73 1k12 n ARG 41 Ca -0.10 -0.74 -0.61 0.00 -0.77 0.00 0.00 57.85 55.63 1k12 n ARG 41 Cb 0.50 -1.41 -0.08 0.00 -1.02 0.00 0.00 32.46 30.45 1k12 n ARG 41 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1k12 n ASP 42 N -0.06 2.00 -1.04 0.55 -0.08 -1.26 -4.83 116.55 111.83 1k12 n ASP 42 Ca 0.17 1.08 0.11 0.00 -1.51 0.00 0.00 54.79 54.64 1k12 n ASP 42 Cb 0.26 -1.06 0.26 0.00 2.34 0.00 0.00 41.12 42.92 1k12 n ASP 42 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1k12 n SER 43 N 5.18 3.10 -4.51 1.67 3.41 -1.26 -4.64 113.62 116.58 1k12 n SER 43 Ca 0.29 -1.94 -0.42 0.00 -0.26 0.00 0.00 58.87 56.53 1k12 n SER 43 Cb 0.07 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 1k12 n SER 43 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1k12 s ASN 44 N -1.40 6.24 0.42 4.04 3.04 -1.26 0.34 114.94 126.35 1k12 s ASN 44 Ca 0.38 -0.56 0.23 0.00 0.04 0.00 0.00 52.86 52.95 1k12 s ASN 44 Cb 0.22 -2.48 1.23 0.00 -1.54 0.00 0.00 41.25 38.68 1k12 s ASN 44 CO 0.30 -1.50 1.73 0.15 -3.04 0.00 0.00 177.10 174.73 1k12 h PHE 45 N 9.63 0.58 0.00 0.43 3.57 -1.96 0.12 116.94 129.31 1k12 h PHE 45 Ca -0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1k12 h PHE 45 Cb 1.06 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1k12 h PHE 45 CO 1.01 -0.03 0.00 0.66 -2.23 0.00 0.00 178.31 177.72 1k12 n TYR 46 N -4.63 0.00 0.90 0.41 4.02 -1.26 -2.04 117.16 114.56 1k12 n TYR 46 Ca 0.29 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.30 1k12 n TYR 46 Cb 1.07 -0.27 0.29 0.00 -0.02 0.00 0.00 39.34 40.41 1k12 n TYR 46 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1k12 n HIS 47 N -1.27 0.13 -0.57 -0.72 8.25 0.03 -4.97 115.22 116.11 1k12 n HIS 47 Ca 0.07 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1k12 n HIS 47 Cb 0.10 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.83 1k12 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k12 n GLY 48 N 1.46 0.65 0.67 -1.41 0.00 -0.87 -4.98 105.19 100.71 1k12 n GLY 48 Ca 0.05 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.56 1k12 n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k12 n SER 49 N 1.07 3.30 -4.27 1.61 2.88 -1.26 -4.91 113.62 112.03 1k12 n SER 49 Ca 0.00 -3.11 -0.22 0.00 -1.33 0.00 0.00 58.87 54.21 1k12 n SER 49 Cb 0.00 -0.52 -0.12 0.00 -0.75 0.00 0.00 64.21 62.82 1k12 n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k12 s THR 51 N -1.52 3.65 -0.27 0.00 -4.23 0.17 -4.24 115.64 109.20 1k12 s THR 51 Ca 0.08 -0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 60.22 1k12 s THR 51 Cb -0.08 -3.40 0.11 0.00 1.34 0.00 0.00 72.50 70.46 1k12 s THR 51 CO 0.04 -0.35 0.59 -2.28 -0.54 0.00 0.00 174.62 172.08 1k12 s HIS 52 N -2.81 -1.14 0.83 3.99 5.04 -0.89 -3.39 115.29 116.91 1k12 s HIS 52 Ca 0.52 2.07 -0.12 0.00 -1.54 0.00 0.00 55.06 55.99 1k12 s HIS 52 Cb -0.10 0.64 0.09 0.00 0.04 0.00 0.00 32.58 33.25 1k12 s HIS 52 CO 0.42 -0.59 1.18 -1.54 -2.34 0.00 0.00 174.74 171.87 1k12 s SER 53 N 2.56 4.35 0.45 9.88 1.04 -0.29 -1.15 113.70 130.55 1k12 s SER 53 Ca -0.06 0.78 0.11 0.00 0.48 0.00 0.00 55.95 57.26 1k12 s SER 53 Cb -0.11 -1.27 1.02 0.00 0.10 0.00 0.00 66.02 65.77 1k12 s SER 53 CO -0.17 -2.01 2.09 0.77 0.98 0.00 0.00 173.24 174.90 1k12 h SER 54 N -1.13 0.29 0.00 7.02 4.64 -1.07 -3.22 113.55 120.08 1k12 h SER 54 Ca -0.46 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1k12 h SER 54 Cb 1.33 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1k12 h SER 54 CO 0.65 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1k12 n GLY 55 N -1.50 1.29 3.77 -0.77 0.00 -1.26 -4.70 105.19 102.02 1k12 n GLY 55 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1k12 n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k12 s GLN 56 N -0.31 3.57 0.76 1.61 -0.21 -1.26 -4.72 119.66 119.10 1k12 s GLN 56 Ca 0.00 1.69 -0.14 0.00 0.02 0.00 0.00 55.36 56.92 1k12 s GLN 56 Cb 0.00 -2.21 0.06 0.00 1.00 0.00 0.00 33.01 31.86 1k12 s GLN 56 CO 0.00 -0.69 1.21 0.00 -2.12 0.00 0.00 175.29 173.69 1k12 s ALA 57 N -1.66 2.00 -1.22 6.09 0.00 -1.26 -4.00 121.76 121.71 1k12 s ALA 57 Ca 0.68 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 53.46 1k12 s ALA 57 Cb -0.26 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 1k12 s ALA 57 CO 0.31 -2.06 0.77 0.09 0.00 0.00 0.00 175.76 174.86 1k12 n ASN 58 N -2.96 -3.16 -4.87 0.00 5.03 0.21 -4.99 115.26 104.52 1k12 n ASN 58 Ca 0.14 -0.84 -0.31 0.00 0.87 0.00 0.00 54.58 54.44 1k12 n ASN 58 Cb 0.50 -4.16 0.02 0.00 -1.02 0.00 0.00 39.78 35.12 1k12 n ASN 58 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1k12 s PRO 59 N -5.66 3.38 0.05 3.52 0.04 -1.18 -4.81 135.00 130.35 1k12 s PRO 59 Ca 0.19 0.68 -0.04 0.00 0.04 0.00 0.00 61.00 61.88 1k12 s PRO 59 Cb -0.05 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1k12 s PRO 59 CO 0.81 -0.71 0.05 1.67 0.04 0.00 0.00 177.00 178.85 1k12 s TRP 60 N -3.22 0.35 0.03 0.56 1.48 -1.26 -0.88 118.94 115.99 1k12 s TRP 60 Ca 0.56 -0.79 0.03 0.00 -1.06 0.00 0.00 56.10 54.84 1k12 s TRP 60 Cb -0.11 -0.25 -0.02 0.00 -1.16 0.00 0.00 33.47 31.94 1k12 s TRP 60 CO 0.53 -0.40 -0.09 -0.46 -4.06 0.00 0.00 176.95 172.48 1k12 s TRP 61 N -3.41 0.77 0.01 1.66 -0.00 -0.23 -1.38 118.94 116.36 1k12 s TRP 61 Ca 0.02 -0.33 -0.09 0.00 -0.00 0.00 0.00 56.10 55.70 1k12 s TRP 61 Cb 0.04 -0.47 0.00 0.00 -0.00 0.00 0.00 33.47 33.05 1k12 s TRP 61 CO -0.08 -0.03 0.17 0.50 -0.00 0.00 0.00 176.95 177.52 1k12 s ARG 62 N -1.00 0.57 -0.05 5.86 3.52 0.03 -0.92 118.95 126.96 1k12 s ARG 62 Ca -0.03 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.14 1k12 s ARG 62 Cb -0.07 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.57 1k12 s ARG 62 CO 0.00 -0.15 -0.10 0.54 -0.81 0.00 0.00 175.30 174.79 1k12 s VAL 63 N -1.74 0.89 -0.37 7.11 0.11 -0.43 -1.28 120.40 124.70 1k12 s VAL 63 Ca -0.12 -0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 58.42 1k12 s VAL 63 Cb -0.05 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 1k12 s VAL 63 CO 0.00 0.29 0.32 -0.62 -3.33 0.00 0.00 175.10 171.76 1k12 s ASP 64 N 0.54 6.12 0.00 3.54 2.15 0.13 -2.03 116.67 127.13 1k12 s ASP 64 Ca -0.10 -0.57 0.17 0.00 0.43 0.00 0.00 52.55 52.49 1k12 s ASP 64 Cb -0.13 -2.17 0.89 0.00 -0.30 0.00 0.00 42.92 41.21 1k12 s ASP 64 CO 0.02 -0.38 1.50 0.18 -0.17 0.00 0.00 175.17 176.32 1k12 n LEU 65 N 5.26 0.00 0.00 -1.34 4.77 0.24 -1.49 117.00 124.44 1k12 n LEU 65 Ca -0.10 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1k12 n LEU 65 Cb 0.48 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1k12 n LEU 65 CO 0.40 -0.11 0.00 0.18 -1.33 0.00 0.00 177.39 176.53 1k12 n LEU 66 N -1.25 0.00 -3.68 2.23 4.77 -1.26 -4.53 117.00 113.28 1k12 n LEU 66 Ca 0.09 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.01 1k12 n LEU 66 Cb 0.13 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1k12 n LEU 66 CO 0.13 0.00 0.65 0.00 -1.33 0.00 0.00 177.39 176.84 1k12 s GLN 67 N 0.00 1.20 0.24 3.23 -2.07 -1.26 -5.16 119.66 115.84 1k12 s GLN 67 Ca 0.00 -0.61 -0.30 0.00 -1.82 0.00 0.00 55.36 52.63 1k12 s GLN 67 Cb 0.00 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 32.27 1k12 s GLN 67 CO 0.00 -0.54 0.95 0.08 -1.32 0.00 0.00 175.29 174.45 1k12 s VAL 68 N -3.37 4.06 0.23 3.63 1.01 -1.26 -4.38 120.40 120.31 1k12 s VAL 68 Ca 0.09 2.07 0.02 0.00 0.00 0.00 0.00 61.98 64.16 1k12 s VAL 68 Cb -0.02 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1k12 s VAL 68 CO -0.01 0.49 0.06 -0.31 0.00 0.00 0.00 175.10 175.33 1k12 s TYR 69 N -1.14 1.43 -0.39 5.22 2.02 -0.26 -4.94 117.35 119.29 1k12 s TYR 69 Ca 0.41 -1.11 -0.08 0.00 -0.37 0.00 0.00 57.07 55.93 1k12 s TYR 69 Cb -0.26 -0.83 0.06 0.00 -0.40 0.00 0.00 41.96 40.54 1k12 s TYR 69 CO 0.32 -0.27 0.19 0.99 -1.57 0.00 0.00 175.55 175.21 1k12 s THR 70 N -3.70 3.98 -0.19 -0.71 2.01 -1.26 -1.09 115.64 114.68 1k12 s THR 70 Ca 0.32 -1.34 -0.15 0.00 0.31 0.00 0.00 61.69 60.84 1k12 s THR 70 Cb 0.07 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1k12 s THR 70 CO 0.10 -0.39 0.33 -0.63 -0.69 0.00 0.00 174.62 173.34 1k12 s ILE 71 N 1.39 5.26 -0.08 1.82 1.01 0.48 -4.44 121.20 126.64 1k12 s ILE 71 Ca 0.02 0.59 0.04 0.00 0.00 0.00 0.00 60.65 61.29 1k12 s ILE 71 Cb -0.21 -3.67 -0.25 0.00 0.01 0.00 0.00 42.46 38.34 1k12 s ILE 71 CO 0.02 0.32 0.52 1.07 0.00 0.00 0.00 174.94 176.87 1k12 n THR 72 N 4.02 1.69 -3.84 2.92 5.66 -0.28 -1.10 114.28 123.35 1k12 n THR 72 Ca -0.10 -0.73 -0.06 0.00 -3.05 0.00 0.00 64.05 60.10 1k12 n THR 72 Cb 0.51 -1.36 -0.02 0.00 -1.55 0.00 0.00 70.33 67.91 1k12 n THR 72 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1k12 s SER 73 N -6.53 -0.24 -0.06 1.09 1.04 -1.23 -2.19 113.70 105.57 1k12 s SER 73 Ca -0.13 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1k12 s SER 73 Cb 0.07 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.90 1k12 s SER 73 CO 0.80 -1.26 -0.04 -0.69 0.98 0.00 0.00 173.24 173.03 1k12 s VAL 74 N -3.79 0.59 -0.26 5.02 1.01 -0.51 -1.23 120.40 121.23 1k12 s VAL 74 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 1k12 s VAL 74 Cb -0.05 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1k12 s VAL 74 CO 0.06 0.27 0.14 -0.89 0.00 0.00 0.00 175.10 174.67 1k12 s THR 75 N 1.37 4.96 -0.07 3.92 2.01 0.12 -0.73 115.64 127.22 1k12 s THR 75 Ca -0.04 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.02 1k12 s THR 75 Cb -0.13 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1k12 s THR 75 CO -0.03 0.31 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.52 1k12 s ILE 76 N 1.51 3.76 -0.24 1.82 -1.09 -0.48 -0.75 121.20 125.72 1k12 s ILE 76 Ca 0.07 -0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 58.00 1k12 s ILE 76 Cb -0.15 -2.54 0.02 0.00 -1.58 0.00 0.00 42.46 38.21 1k12 s ILE 76 CO 0.07 0.59 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.41 1k12 s THR 77 N -0.82 2.85 0.46 2.92 2.01 -0.29 -1.16 115.64 121.59 1k12 s THR 77 Ca 0.13 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 61.00 1k12 s THR 77 Cb -0.11 -2.40 -0.09 0.00 0.01 0.00 0.00 72.50 69.91 1k12 s THR 77 CO 0.02 0.27 0.95 0.21 -0.69 0.00 0.00 174.62 175.37 1k12 s ASN 78 N 1.34 6.79 0.33 3.53 2.47 -0.01 -0.97 114.94 128.43 1k12 s ASN 78 Ca 0.02 1.60 -0.28 0.00 0.42 0.00 0.00 52.86 54.61 1k12 s ASN 78 Cb -0.16 -2.51 -0.12 0.00 -1.45 0.00 0.00 41.25 37.01 1k12 s ASN 78 CO -0.05 -0.44 1.30 -1.14 -3.72 0.00 0.00 177.10 173.05 1k12 n ARG 79 N -1.03 2.13 -0.03 0.43 0.63 -1.26 -3.39 116.66 114.14 1k12 n ARG 79 Ca 0.06 0.75 0.01 0.00 -0.92 0.00 0.00 57.85 57.75 1k12 n ARG 79 Cb 0.54 -2.34 -0.10 0.00 0.45 0.00 0.00 32.46 31.01 1k12 n ARG 79 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k12 n GLY 80 N 0.91 -0.61 0.20 5.14 0.00 0.15 -0.86 105.19 110.13 1k12 n GLY 80 Ca 0.05 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1k12 n GLY 80 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1k12 h ASP 81 N 0.00 0.00 -1.78 1.61 3.04 -1.90 -3.41 116.42 113.99 1k12 h ASP 81 Ca -0.14 0.00 0.23 0.00 -3.24 0.00 0.00 57.03 53.88 1k12 h ASP 81 Cb 1.10 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.35 1k12 h ASP 81 CO 0.01 0.31 0.63 0.00 -2.04 0.00 0.00 179.24 178.15 1k12 n GLY 84 N -1.36 -1.10 0.12 0.00 0.00 -1.26 -2.80 105.19 98.78 1k12 n GLY 84 Ca 0.02 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1k12 n GLY 84 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1k12 h GLU 85 N 0.00 0.00 0.00 1.61 9.09 -1.89 -3.36 114.58 120.03 1k12 h GLU 85 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1k12 h GLU 85 Cb 0.25 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1k12 h GLU 85 CO 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 179.01 178.97 1k12 h ARG 86 N 0.00 0.00 0.00 1.06 3.08 -1.85 -2.84 114.38 113.84 1k12 h ARG 86 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1k12 h ARG 86 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1k12 h ARG 86 CO 0.00 0.09 0.00 1.51 -1.07 0.00 0.00 179.97 180.50 1k12 n ILE 87 N -4.08 0.22 -1.69 2.04 3.06 -1.26 -4.78 119.36 112.88 1k12 n ILE 87 Ca -0.03 0.05 -0.44 0.00 -2.50 0.00 0.00 62.75 59.84 1k12 n ILE 87 Cb 0.18 -0.62 -0.04 0.00 0.54 0.00 0.00 39.64 39.70 1k12 n ILE 87 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1k12 n SER 88 N -1.39 3.66 0.00 9.51 7.64 -1.07 -1.78 113.62 130.19 1k12 n SER 88 Ca 0.09 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1k12 n SER 88 Cb 0.25 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 1k12 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k12 n GLY 89 N 3.99 0.31 3.76 0.23 0.00 0.83 -4.97 105.19 109.35 1k12 n GLY 89 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1k12 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k12 s ALA 90 N -2.07 3.18 -0.07 4.61 0.00 -0.73 -4.55 121.76 122.12 1k12 s ALA 90 Ca 0.00 1.43 0.03 0.00 0.00 0.00 0.00 51.96 53.42 1k12 s ALA 90 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1k12 s ALA 90 CO 0.00 -1.20 -0.16 -1.21 0.00 0.00 0.00 175.76 173.19 1k12 s GLU 91 N -2.51 2.69 -0.40 0.00 2.02 0.31 0.71 118.70 121.53 1k12 s GLU 91 Ca 0.62 -0.74 -0.10 0.00 0.02 0.00 0.00 54.97 54.77 1k12 s GLU 91 Cb -0.43 -2.39 0.05 0.00 0.10 0.00 0.00 34.13 31.47 1k12 s GLU 91 CO 0.54 0.49 0.23 0.42 0.02 0.00 0.00 175.26 176.96 1k12 s ILE 92 N -0.39 4.42 -0.05 -1.63 1.01 0.08 -0.92 121.20 123.72 1k12 s ILE 92 Ca 0.04 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1k12 s ILE 92 Cb -0.12 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1k12 s ILE 92 CO 0.02 -0.36 0.02 0.20 0.00 0.00 0.00 174.94 174.82 1k12 s ASN 93 N 1.82 5.31 -0.05 3.58 0.01 0.11 -0.02 114.94 125.71 1k12 s ASN 93 Ca 0.02 0.11 0.01 0.00 -0.71 0.00 0.00 52.86 52.29 1k12 s ASN 93 Cb -0.21 -1.48 0.02 0.00 0.41 0.00 0.00 41.25 39.99 1k12 s ASN 93 CO 0.05 0.33 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.30 1k12 s ILE 94 N -1.00 0.50 0.17 0.60 1.01 0.15 -0.28 121.20 122.35 1k12 s ILE 94 Ca 0.17 -0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.55 1k12 s ILE 94 Cb -0.11 -0.54 0.03 0.00 0.01 0.00 0.00 42.46 41.85 1k12 s ILE 94 CO 0.06 0.22 0.49 -0.83 0.00 0.00 0.00 174.94 174.88 1k12 s GLY 95 N 1.01 -0.20 0.21 6.18 0.00 -0.59 -3.44 107.32 110.49 1k12 s GLY 95 Ca -0.10 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 44.60 1k12 s GLY 95 CO -0.00 -0.24 1.49 1.46 0.00 0.00 0.00 173.10 175.80 1k12 h GLN 96 N 2.23 0.08 -5.57 2.90 4.20 -1.88 0.35 115.11 117.42 1k12 h GLN 96 Ca -0.31 -0.08 -0.56 0.00 0.06 0.00 0.00 58.65 57.76 1k12 h GLN 96 Cb 1.27 0.02 -0.13 0.00 0.30 0.00 0.00 27.48 28.93 1k12 h GLN 96 CO 0.41 0.79 -0.63 -1.01 -0.67 0.00 0.00 178.83 177.71 1k12 s HIS 97 N -3.38 2.25 -1.16 2.96 3.76 -1.26 -4.40 115.29 114.06 1k12 s HIS 97 Ca -0.02 -0.72 -0.11 0.00 -0.15 0.00 0.00 55.06 54.07 1k12 s HIS 97 Cb 0.11 -1.45 0.23 0.00 1.11 0.00 0.00 32.58 32.58 1k12 s HIS 97 CO 0.79 0.33 1.26 -1.17 -0.85 0.00 0.00 174.74 175.10 1k12 s LEU 98 N -3.58 5.77 -1.01 0.89 2.96 -1.26 -4.84 118.68 117.61 1k12 s LEU 98 Ca 0.34 -3.34 -0.23 0.00 -0.22 0.00 0.00 54.13 50.67 1k12 s LEU 98 Cb 0.07 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.48 1k12 s LEU 98 CO 0.16 -0.49 1.67 0.00 -1.32 0.00 0.00 176.35 176.37 1k12 s ALA 99 N -0.02 2.34 -0.84 5.97 0.00 -1.26 -4.03 121.76 123.92 1k12 s ALA 99 Ca 0.36 -2.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.24 1k12 s ALA 99 Cb -0.07 -4.56 -0.05 0.00 0.00 0.00 0.00 23.12 18.44 1k12 s ALA 99 CO -0.04 -4.10 0.74 0.45 0.00 0.00 0.00 175.76 172.81 1k12 n SER 100 N 10.93 -5.93 -0.90 0.00 2.88 -1.26 -2.06 113.62 117.28 1k12 n SER 100 Ca 0.37 -0.54 -0.12 0.00 -1.33 0.00 0.00 58.87 57.26 1k12 n SER 100 Cb 0.49 -4.41 -0.05 0.00 -0.75 0.00 0.00 64.21 59.49 1k12 n SER 100 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1k12 n ASN 101 N -2.80 -4.68 0.00 -3.46 3.02 -1.26 -2.53 115.26 103.55 1k12 n ASN 101 Ca -0.05 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1k12 n ASN 101 Cb 0.59 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 36.54 1k12 n ASN 101 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k12 n GLY 102 N -1.18 2.47 0.30 7.41 0.00 -1.20 -4.89 105.19 108.09 1k12 n GLY 102 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1k12 n GLY 102 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k12 h VAL 103 N 0.00 0.89 -0.60 1.61 2.07 -1.56 -2.50 116.25 116.15 1k12 h VAL 103 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1k12 h VAL 103 Cb 0.00 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1k12 h VAL 103 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 1k12 n ASN 104 N -4.43 4.26 -4.86 0.57 3.02 -0.88 -5.00 115.26 107.94 1k12 n ASN 104 Ca 0.00 -2.31 -0.30 0.00 -0.03 0.00 0.00 54.58 51.95 1k12 n ASN 104 Cb 0.23 -0.51 0.08 0.00 -0.61 0.00 0.00 39.78 38.97 1k12 n ASN 104 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1k12 s ASN 105 N -1.02 4.73 0.42 6.41 0.01 -0.94 -4.94 114.94 119.60 1k12 s ASN 105 Ca 0.46 1.05 -0.25 0.00 -0.71 0.00 0.00 52.86 53.41 1k12 s ASN 105 Cb 0.28 -1.72 -0.10 0.00 0.41 0.00 0.00 41.25 40.12 1k12 s ASN 105 CO 0.25 -1.79 1.20 -2.65 -1.51 0.00 0.00 177.10 172.59 1k12 n PRO 106 N -3.29 1.76 -3.23 -0.60 -0.02 -1.22 -4.63 135.00 123.77 1k12 n PRO 106 Ca 0.07 0.63 -0.39 0.00 -2.02 0.00 0.00 63.50 61.79 1k12 n PRO 106 Cb 0.58 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 1k12 n PRO 106 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1k12 s GLU 107 N -2.14 4.32 -0.10 -0.52 2.12 -1.26 -0.67 118.70 120.44 1k12 s GLU 107 Ca 0.61 0.54 -0.18 0.00 0.36 0.00 0.00 54.97 56.30 1k12 s GLU 107 Cb -0.53 -3.48 -0.27 0.00 0.26 0.00 0.00 34.13 30.11 1k12 s GLU 107 CO 0.58 0.04 0.62 0.00 -0.54 0.00 0.00 175.26 175.96 1k12 s SER 109 N -6.96 -0.18 -0.02 0.00 0.15 -1.17 -3.93 113.70 101.60 1k12 s SER 109 Ca -0.19 -0.22 0.08 0.00 0.70 0.00 0.00 55.95 56.32 1k12 s SER 109 Cb 0.03 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1k12 s SER 109 CO 0.76 -0.63 -0.24 -0.69 1.20 0.00 0.00 173.24 173.64 1k12 s VAL 110 N -2.95 2.21 -0.50 4.45 1.01 -1.26 -0.74 120.40 122.62 1k12 s VAL 110 Ca 0.11 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 1k12 s VAL 110 Cb 0.00 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.64 1k12 s VAL 110 CO -0.02 0.56 0.62 -0.63 0.00 0.00 0.00 175.10 175.63 1k12 s ILE 111 N -0.65 4.87 0.07 2.22 1.01 0.22 -4.91 121.20 124.03 1k12 s ILE 111 Ca 0.10 -0.43 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 1k12 s ILE 111 Cb -0.10 -4.28 -0.17 0.00 0.01 0.00 0.00 42.46 37.92 1k12 s ILE 111 CO -0.00 -0.77 1.60 1.23 0.00 0.00 0.00 174.94 176.99 1k12 h GLY 112 N 9.69 -0.51 -3.92 6.18 0.00 -1.91 0.24 103.07 112.83 1k12 h GLY 112 Ca -0.27 0.19 0.25 0.00 0.00 0.00 0.00 47.33 47.50 1k12 h GLY 112 CO 0.95 -0.19 0.83 -1.35 0.00 0.00 0.00 176.54 176.78 1k12 s SER 113 N -4.81 -0.13 -0.04 0.19 1.04 -1.26 -3.63 113.70 105.07 1k12 s SER 113 Ca -0.15 0.02 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 1k12 s SER 113 Cb 0.04 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.30 1k12 s SER 113 CO 0.62 -0.20 0.14 -0.04 0.98 0.00 0.00 173.24 174.75 1k12 s MET 114 N -2.19 0.27 0.91 4.02 1.00 -1.26 -5.04 119.30 117.00 1k12 s MET 114 Ca 0.09 0.01 -0.11 0.00 0.00 0.00 0.00 55.69 55.68 1k12 s MET 114 Cb -0.01 0.12 0.14 0.00 0.00 0.00 0.00 34.83 35.08 1k12 s MET 114 CO -0.04 -0.05 1.10 0.00 0.00 0.00 0.00 175.02 176.02 1k12 s ALA 115 N -0.40 1.42 0.10 3.03 0.00 -1.26 -4.59 121.76 120.06 1k12 s ALA 115 Ca -0.05 0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.76 1k12 s ALA 115 Cb -0.03 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 1k12 s ALA 115 CO 0.01 -2.52 1.46 0.99 0.00 0.00 0.00 175.76 175.70 1k12 s THR 116 N -2.80 3.22 0.00 0.00 2.01 -1.26 -2.15 115.64 114.66 1k12 s THR 116 Ca 0.64 0.81 0.00 0.00 0.31 0.00 0.00 61.69 63.46 1k12 s THR 116 Cb -0.20 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1k12 s THR 116 CO 0.58 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.16 1k12 n GLY 117 N 3.64 0.74 3.76 4.40 0.00 -0.04 -4.82 105.19 112.87 1k12 n GLY 117 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1k12 n GLY 117 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k12 s GLU 118 N -0.05 4.69 -0.17 1.61 2.12 -0.92 -4.73 118.70 121.27 1k12 s GLU 118 Ca 0.00 1.71 -0.02 0.00 0.36 0.00 0.00 54.97 57.02 1k12 s GLU 118 Cb 0.00 -3.20 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 1k12 s GLU 118 CO 0.00 0.29 -0.10 0.99 -0.54 0.00 0.00 175.26 175.91 1k12 s THR 119 N -1.18 3.16 -0.03 -1.70 2.01 -1.26 -0.83 115.64 115.80 1k12 s THR 119 Ca 0.44 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 1k12 s THR 119 Cb -0.30 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1k12 s THR 119 CO 0.38 0.49 0.12 -0.75 -0.69 0.00 0.00 174.62 174.17 1k12 s LYS 120 N 0.82 0.22 -0.11 4.92 2.20 -0.31 -4.99 119.74 122.49 1k12 s LYS 120 Ca -0.03 0.03 -0.14 0.00 -0.36 0.00 0.00 55.97 55.47 1k12 s LYS 120 Cb -0.15 0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.22 1k12 s LYS 120 CO 0.01 -0.04 0.33 0.99 -0.36 0.00 0.00 175.35 176.28 1k12 s THR 121 N -0.28 5.24 -0.28 3.43 2.01 -1.26 -1.38 115.64 123.12 1k12 s THR 121 Ca -0.04 0.64 -0.03 0.00 0.31 0.00 0.00 61.69 62.58 1k12 s THR 121 Cb -0.03 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.86 1k12 s THR 121 CO 0.00 0.45 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.01 1k12 s PHE 122 N -0.01 3.18 0.14 4.92 0.40 0.09 -4.97 117.98 121.73 1k12 s PHE 122 Ca 0.19 -1.63 -0.26 0.00 -0.60 0.00 0.00 56.93 54.63 1k12 s PHE 122 Cb -0.14 -2.12 -0.07 0.00 0.51 0.00 0.00 43.02 41.20 1k12 s PHE 122 CO 0.07 -0.75 0.81 -1.01 0.70 0.00 0.00 175.22 175.04 1k12 s HIS 123 N 1.32 3.87 0.55 0.36 3.76 -1.26 -1.42 115.29 122.47 1k12 s HIS 123 Ca -0.02 1.65 -0.16 0.00 -0.15 0.00 0.00 55.06 56.38 1k12 s HIS 123 Cb -0.18 -2.83 -0.06 0.00 1.11 0.00 0.00 32.58 30.62 1k12 s HIS 123 CO -0.02 0.43 1.02 0.00 -0.85 0.00 0.00 174.74 175.32 1k12 h PRO 125 N 0.64 0.12 -4.16 0.00 0.11 -1.87 -3.42 132.00 123.41 1k12 h PRO 125 Ca -0.47 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1k12 h PRO 125 Cb 1.20 -0.03 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 1k12 h PRO 125 CO 0.60 0.08 -0.51 0.00 -0.21 0.00 0.00 178.00 177.96 1k12 s ALA 126 N -6.11 0.43 0.41 -0.75 0.00 -1.26 -5.12 121.76 109.36 1k12 s ALA 126 Ca -0.13 -1.17 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 1k12 s ALA 126 Cb 0.22 0.78 -0.10 0.00 0.00 0.00 0.00 23.12 24.02 1k12 s ALA 126 CO 0.75 -0.54 1.47 -0.35 0.00 0.00 0.00 175.76 177.10 1k12 n PRO 127 N -0.12 2.50 -5.13 0.00 -0.04 -1.26 -4.92 135.00 126.03 1k12 n PRO 127 Ca -0.08 0.88 -0.32 0.00 -0.04 0.00 0.00 63.50 63.95 1k12 n PRO 127 Cb 0.63 -2.67 -0.15 0.00 -0.04 0.00 0.00 33.50 31.27 1k12 n PRO 127 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1k12 s MET 128 N -2.27 2.42 -0.05 0.54 -1.94 -0.26 -4.88 119.30 112.86 1k12 s MET 128 Ca 0.57 -0.83 -0.24 0.00 -1.71 0.00 0.00 55.69 53.47 1k12 s MET 128 Cb -0.46 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.13 1k12 s MET 128 CO 0.61 0.52 0.75 0.42 -0.01 0.00 0.00 175.02 177.30 1k12 s ILE 129 N -0.49 5.00 -0.16 2.53 1.01 -1.26 -0.39 121.20 127.44 1k12 s ILE 129 Ca 0.06 1.55 -0.30 0.00 0.00 0.00 0.00 60.65 61.95 1k12 s ILE 129 Cb -0.11 -4.09 0.14 0.00 0.01 0.00 0.00 42.46 38.41 1k12 s ILE 129 CO 0.01 0.25 1.07 -0.83 0.00 0.00 0.00 174.94 175.44 1k12 s GLY 130 N 0.76 -0.24 -0.06 6.18 0.00 -0.25 -3.98 107.32 109.73 1k12 s GLY 130 Ca 0.40 1.96 0.10 0.00 0.00 0.00 0.00 44.72 47.18 1k12 s GLY 130 CO 0.20 0.88 0.15 -2.13 0.00 0.00 0.00 173.10 172.19 1k12 n ARG 131 N 0.45 1.26 -5.23 2.90 0.63 0.01 -1.11 116.66 115.56 1k12 n ARG 131 Ca -0.07 -0.06 -0.32 0.00 -0.92 0.00 0.00 57.85 56.49 1k12 n ARG 131 Cb 0.59 -1.27 -0.17 0.00 0.45 0.00 0.00 32.46 32.06 1k12 n ARG 131 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1k12 s TYR 132 N -2.53 2.46 -0.16 -0.14 1.51 -0.60 -0.60 117.35 117.30 1k12 s TYR 132 Ca -0.05 -0.85 0.02 0.00 -1.01 0.00 0.00 57.07 55.19 1k12 s TYR 132 Cb 0.05 -1.63 0.01 0.00 -0.11 0.00 0.00 41.96 40.29 1k12 s TYR 132 CO 0.45 -0.30 -0.21 0.08 -1.11 0.00 0.00 175.55 174.46 1k12 s VAL 133 N 0.05 2.06 -0.01 0.71 1.01 -0.86 -1.55 120.40 121.80 1k12 s VAL 133 Ca -0.10 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 60.99 1k12 s VAL 133 Cb -0.15 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1k12 s VAL 133 CO 0.06 0.55 -0.23 -0.69 0.00 0.00 0.00 175.10 174.78 1k12 s VAL 134 N 1.00 1.82 -0.28 2.92 1.01 0.61 -1.32 120.40 126.16 1k12 s VAL 134 Ca -0.02 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1k12 s VAL 134 Cb -0.15 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1k12 s VAL 134 CO -0.06 0.50 -0.03 -0.89 0.00 0.00 0.00 175.10 174.62 1k12 s THR 135 N -0.55 2.93 -0.16 3.92 2.01 -0.10 0.05 115.64 123.74 1k12 s THR 135 Ca 0.09 -1.25 -0.03 0.00 0.31 0.00 0.00 61.69 60.82 1k12 s THR 135 Cb -0.09 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 1k12 s THR 135 CO -0.01 0.02 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.40 1k12 s TYR 136 N 1.28 2.95 -0.54 4.92 5.04 -0.10 -1.07 117.35 129.82 1k12 s TYR 136 Ca -0.03 -0.51 -0.06 0.00 -2.44 0.00 0.00 57.07 54.03 1k12 s TYR 136 Cb -0.19 -1.95 0.14 0.00 0.35 0.00 0.00 41.96 40.32 1k12 s TYR 136 CO -0.02 -0.18 0.38 -1.17 -1.34 0.00 0.00 175.55 173.22 1k12 s LEU 137 N 0.56 5.52 0.00 6.97 2.96 -0.05 -0.53 118.68 134.11 1k12 s LEU 137 Ca -0.05 -2.34 -0.04 0.00 -0.22 0.00 0.00 54.13 51.48 1k12 s LEU 137 Cb -0.15 -1.93 -0.16 0.00 0.50 0.00 0.00 46.19 44.45 1k12 s LEU 137 CO 0.03 -0.53 2.64 -0.81 -1.32 0.00 0.00 176.35 176.36 1k12 n PRO 138 N 4.25 1.39 -3.93 0.98 -0.04 -1.26 -3.10 135.00 133.29 1k12 n PRO 138 Ca 0.01 -0.59 -0.17 0.00 -0.04 0.00 0.00 63.50 62.71 1k12 n PRO 138 Cb 0.40 -1.69 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 1k12 n PRO 138 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1k12 n THR 139 N 2.34 0.00 0.07 0.52 -2.24 -1.26 -4.87 114.28 108.84 1k12 n THR 139 Ca 0.25 -2.07 0.03 0.00 -2.27 0.00 0.00 64.05 60.00 1k12 n THR 139 Cb 0.65 1.06 0.20 0.00 -2.10 0.00 0.00 70.33 70.14 1k12 n THR 139 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k12 n SER 140 N -1.83 3.32 -4.98 3.42 7.64 -1.26 -0.62 113.62 119.32 1k12 n SER 140 Ca 0.06 -2.45 -0.20 0.00 1.01 0.00 0.00 58.87 57.28 1k12 n SER 140 Cb 0.53 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 1k12 n SER 140 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1k12 s GLU 141 N -1.86 3.28 0.23 1.43 0.41 -1.26 -4.78 118.70 116.14 1k12 s GLU 141 Ca 0.27 -0.86 -0.30 0.00 -0.41 0.00 0.00 54.97 53.66 1k12 s GLU 141 Cb 0.20 -2.84 -0.09 0.00 -1.78 0.00 0.00 34.13 29.62 1k12 s GLU 141 CO 0.08 0.23 0.94 -1.12 -0.49 0.00 0.00 175.26 174.90 1k12 s SER 142 N -4.08 7.64 -0.32 -0.19 0.01 -1.26 -4.71 113.70 110.79 1k12 s SER 142 Ca 0.40 1.94 -0.11 0.00 1.31 0.00 0.00 55.95 59.48 1k12 s SER 142 Cb -0.09 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 1k12 s SER 142 CO 0.30 0.15 0.20 -0.22 0.41 0.00 0.00 173.24 174.08 1k12 s LEU 143 N -1.11 4.25 -0.14 2.44 2.96 -1.26 -4.66 118.68 121.17 1k12 s LEU 143 Ca 0.41 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1k12 s LEU 143 Cb -0.26 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.38 1k12 s LEU 143 CO 0.32 -0.18 -0.04 -1.38 -1.32 0.00 0.00 176.35 173.75 1k12 s HIS 144 N 1.70 1.40 -0.15 5.38 -3.43 -1.26 -1.13 115.29 117.79 1k12 s HIS 144 Ca 0.06 -0.83 -0.01 0.00 -0.80 0.00 0.00 55.06 53.47 1k12 s HIS 144 Cb -0.17 -1.18 -0.01 0.00 -1.43 0.00 0.00 32.58 29.79 1k12 s HIS 144 CO 0.09 -0.55 -0.10 -0.51 -2.00 0.00 0.00 174.74 171.67 1k12 s LEU 145 N 1.73 2.81 0.15 5.38 1.43 -1.22 -4.08 118.68 124.88 1k12 s LEU 145 Ca 0.02 -0.32 0.23 0.00 -1.03 0.00 0.00 54.13 53.03 1k12 s LEU 145 Cb -0.14 -1.66 0.10 0.00 0.03 0.00 0.00 46.19 44.52 1k12 s LEU 145 CO -0.07 0.12 1.11 0.00 0.23 0.00 0.00 176.35 177.74 1k12 s GLU 147 N -3.29 0.24 -0.17 0.00 2.56 -1.23 -4.54 118.70 112.27 1k12 s GLU 147 Ca 0.02 0.34 0.00 0.00 0.00 0.00 0.00 54.97 55.33 1k12 s GLU 147 Cb 0.11 0.09 0.04 0.00 2.00 0.00 0.00 34.13 36.37 1k12 s GLU 147 CO 0.77 -0.04 -0.09 0.08 -0.56 0.00 0.00 175.26 175.43 1k12 s VAL 148 N 0.63 1.37 -0.15 3.70 1.01 0.41 -1.14 120.40 126.23 1k12 s VAL 148 Ca -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1k12 s VAL 148 Cb -0.04 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1k12 s VAL 148 CO -0.12 0.21 -0.11 -1.61 0.00 0.00 0.00 175.10 173.47 1k12 s GLU 149 N 1.53 3.42 -0.36 2.72 2.02 0.07 -4.69 118.70 123.40 1k12 s GLU 149 Ca 0.01 -0.66 -0.10 0.00 0.02 0.00 0.00 54.97 54.24 1k12 s GLU 149 Cb -0.15 -2.72 0.03 0.00 0.10 0.00 0.00 34.13 31.39 1k12 s GLU 149 CO -0.08 0.16 0.18 0.08 0.02 0.00 0.00 175.26 175.62 1k12 s VAL 150 N 0.52 4.42 -0.23 2.63 1.01 -1.26 -0.71 120.40 126.77 1k12 s VAL 150 Ca -0.07 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 1k12 s VAL 150 Cb -0.15 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1k12 s VAL 150 CO 0.04 -0.21 0.66 0.20 0.00 0.00 0.00 175.10 175.79 1k12 s ASN 151 N 1.53 6.65 -0.06 3.32 0.01 -0.37 -0.89 114.94 125.13 1k12 s ASN 151 Ca 0.01 0.80 0.04 0.00 -0.71 0.00 0.00 52.86 53.00 1k12 s ASN 151 Cb -0.19 -2.36 -0.00 0.00 0.41 0.00 0.00 41.25 39.11 1k12 s ASN 151 CO 0.06 -0.36 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.40 1k12 s VAL 152 N 2.38 1.64 0.29 1.60 1.01 -0.24 -1.13 120.40 125.94 1k12 s VAL 152 Ca 0.28 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 1k12 s VAL 152 Cb -0.16 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.72 1k12 s VAL 152 CO 0.09 0.47 0.83 -1.81 0.00 0.00 0.00 175.10 174.67 1k12 s ASP 153 N 0.15 7.11 0.00 3.32 1.01 -1.26 -0.61 116.67 126.39 1k12 s ASP 153 Ca -0.08 1.58 -0.01 0.00 0.71 0.00 0.00 52.55 54.74 1k12 s ASP 153 Cb -0.14 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1k12 s ASP 153 CO 0.04 -0.07 0.01 -0.54 0.21 0.00 0.00 175.17 174.82 1k12 s LYS 154 N -2.23 0.20 0.22 8.23 -0.14 0.16 -4.95 119.74 121.23 1k12 s LYS 154 Ca 0.49 -0.30 -0.32 0.00 -1.36 0.00 0.00 55.97 54.48 1k12 s LYS 154 Cb -0.16 0.08 -0.12 0.00 -1.68 0.00 0.00 37.83 35.95 1k12 s LYS 154 CO 0.21 -0.03 1.69 -2.14 -0.76 0.00 0.00 175.35 174.32 1k12 s PRO 155 N -0.78 4.13 0.69 -1.68 0.02 -1.26 0.27 135.00 136.39 1k12 s PRO 155 Ca -0.09 2.59 -0.16 0.00 0.02 0.00 0.00 61.00 63.36 1k12 s PRO 155 Cb -0.05 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 1k12 s PRO 155 CO -0.00 -0.73 0.70 0.00 -0.33 0.00 0.00 177.00 176.64 1k12 n ALA 156 N 3.72 -0.94 -2.68 -1.55 0.00 0.14 -4.70 120.51 114.50 1k12 n ALA 156 Ca 0.15 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1k12 n ALA 156 Cb 0.36 -1.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 1k12 n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k12 s ALA 157 N -1.83 3.13 0.00 0.00 0.00 -1.26 -5.00 121.76 116.80 1k12 s ALA 157 Ca 0.69 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1k12 s ALA 157 Cb -0.36 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1k12 s ALA 157 CO 0.54 -2.51 0.00 0.00 0.00 0.00 0.00 175.76 173.79