#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ed9 s SER 2 N 0.00 -0.46 -0.00 1.61 0.15 -1.26 -5.19 113.70 108.55 2ed9 s SER 2 Ca 0.00 0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.47 2ed9 s SER 2 Cb 0.00 0.46 0.12 0.00 -1.71 0.00 0.00 66.02 64.89 2ed9 s SER 2 CO 0.00 -0.71 1.25 -0.94 1.20 0.00 0.00 173.24 174.04 2ed9 s SER 3 N -2.29 -0.07 0.00 5.45 1.04 -1.26 -5.20 113.70 111.37 2ed9 s SER 3 Ca 0.01 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2ed9 s SER 3 Cb -0.01 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2ed9 s SER 3 CO -0.07 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2ed9 n GLY 4 N -0.48 -0.30 3.75 7.32 0.00 -1.26 -5.19 105.19 109.04 2ed9 n GLY 4 Ca -0.08 -0.97 0.01 0.00 0.00 0.00 0.00 46.02 44.98 2ed9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ed9 s SER 5 N 0.00 -0.05 0.03 1.61 1.04 -1.26 -5.19 113.70 109.88 2ed9 s SER 5 Ca 0.00 -0.24 -0.27 0.00 0.48 0.00 0.00 55.95 55.92 2ed9 s SER 5 Cb 0.00 0.23 0.09 0.00 0.10 0.00 0.00 66.02 66.44 2ed9 s SER 5 CO 0.00 -0.44 1.23 -0.94 0.98 0.00 0.00 173.24 174.08 2ed9 s SER 6 N -3.23 -0.00 0.00 7.02 1.04 -1.26 -5.17 113.70 112.10 2ed9 s SER 6 Ca 0.19 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2ed9 s SER 6 Cb 0.02 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2ed9 s SER 6 CO -0.01 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2ed9 n GLY 7 N -0.81 1.88 3.84 7.32 0.00 -1.26 -5.20 105.19 110.96 2ed9 n GLY 7 Ca 0.01 0.35 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 2ed9 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ed9 s ASN 8 N 0.00 0.03 0.29 1.61 -0.87 -1.26 -5.19 114.94 109.55 2ed9 s ASN 8 Ca 0.00 -1.00 0.09 0.00 -1.57 0.00 0.00 52.86 50.37 2ed9 s ASN 8 Cb 0.00 0.72 -0.06 0.00 -0.02 0.00 0.00 41.25 41.90 2ed9 s ASN 8 CO 0.00 -1.44 -0.11 -0.60 -2.57 0.00 0.00 177.10 172.37 2ed9 s ARG 9 N -2.12 1.62 0.46 -0.60 3.52 -1.26 -5.16 118.95 115.41 2ed9 s ARG 9 Ca 0.19 -1.79 0.05 0.00 -0.13 0.00 0.00 55.73 54.05 2ed9 s ARG 9 Cb -0.04 -1.44 -0.03 0.00 -1.56 0.00 0.00 34.95 31.88 2ed9 s ARG 9 CO 0.09 0.15 0.13 -0.47 -0.81 0.00 0.00 175.30 174.40 2ed9 s TYR 10 N -2.78 2.22 0.00 5.12 5.04 -1.26 -5.16 117.35 120.53 2ed9 s TYR 10 Ca 0.29 -0.75 0.00 0.00 -2.44 0.00 0.00 57.07 54.18 2ed9 s TYR 10 Cb 0.01 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.50 2ed9 s TYR 10 CO 0.13 0.14 0.00 0.41 -1.34 0.00 0.00 175.55 174.89 2ed9 n GLY 11 N -1.28 4.41 0.00 8.97 0.00 -1.26 -5.14 105.19 110.89 2ed9 n GLY 11 Ca -0.07 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2ed9 n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ed9 n PRO 12 N 0.00 -0.59 0.00 1.61 -0.04 -1.26 -5.05 135.00 129.68 2ed9 n PRO 12 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2ed9 n PRO 12 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2ed9 n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ed9 n GLY 13 N 2.46 0.00 2.61 0.55 0.00 -1.26 -5.10 105.19 104.45 2ed9 n GLY 13 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ed9 n GLY 13 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ed9 n VAL 14 N 0.00 0.00 -3.18 1.61 0.31 -1.26 -4.88 118.33 110.93 2ed9 n VAL 14 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 2ed9 n VAL 14 Cb 0.00 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 2ed9 n VAL 14 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2ed9 s SER 15 N 5.53 5.92 0.02 4.52 0.15 -1.26 -5.12 113.70 123.45 2ed9 s SER 15 Ca 0.98 0.16 -0.08 0.00 0.70 0.00 0.00 55.95 57.71 2ed9 s SER 15 Cb -1.10 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2ed9 s SER 15 CO 0.47 -0.58 0.15 0.42 1.20 0.00 0.00 173.24 174.90 2ed9 s THR 16 N -2.41 0.10 0.20 6.45 -4.23 -1.26 -5.16 115.64 109.32 2ed9 s THR 16 Ca 0.46 -0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 60.12 2ed9 s THR 16 Cb -0.10 -0.62 -0.06 0.00 1.34 0.00 0.00 72.50 73.06 2ed9 s THR 16 CO 0.36 -0.44 0.45 -1.81 -0.54 0.00 0.00 174.62 172.63 2ed9 s ASP 17 N -1.67 6.49 0.28 3.99 1.01 -1.26 -5.10 116.67 120.42 2ed9 s ASP 17 Ca -0.11 0.65 -0.08 0.00 0.71 0.00 0.00 52.55 53.72 2ed9 s ASP 17 Cb -0.05 -2.12 -0.00 0.00 1.01 0.00 0.00 42.92 41.76 2ed9 s ASP 17 CO -0.01 -0.04 0.45 -0.62 0.21 0.00 0.00 175.17 175.17 2ed9 s ASP 18 N -2.67 0.31 -1.65 0.27 2.15 -1.26 -4.91 116.67 108.92 2ed9 s ASP 18 Ca 0.42 -1.20 -0.20 0.00 0.43 0.00 0.00 52.55 52.01 2ed9 s ASP 18 Cb -0.11 0.60 0.19 0.00 -0.30 0.00 0.00 42.92 43.30 2ed9 s ASP 18 CO 0.26 -1.19 0.59 -0.38 -0.17 0.00 0.00 175.17 174.28 2ed9 n ILE 19 N -0.44 -0.30 -3.91 4.11 5.41 -1.26 -4.89 119.36 118.07 2ed9 n ILE 19 Ca -0.01 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.39 2ed9 n ILE 19 Cb 0.62 -0.82 -0.14 0.00 -0.71 0.00 0.00 39.64 38.59 2ed9 n ILE 19 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2ed9 s THR 20 N -3.13 3.13 0.00 1.39 -4.23 -1.26 -5.09 115.64 106.45 2ed9 s THR 20 Ca 0.72 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 2ed9 s THR 20 Cb -0.41 -2.63 -0.00 0.00 1.34 0.00 0.00 72.50 70.79 2ed9 s THR 20 CO 0.89 0.12 -0.01 -0.69 -0.54 0.00 0.00 174.62 174.38 2ed9 s VAL 21 N 1.35 0.08 -0.87 2.29 1.01 -1.26 -5.10 120.40 117.90 2ed9 s VAL 21 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2ed9 s VAL 21 Cb -0.17 -0.09 0.22 0.00 0.00 0.00 0.00 36.38 36.33 2ed9 s VAL 21 CO -0.02 -0.04 0.76 0.68 0.00 0.00 0.00 175.10 176.48 2ed9 s VAL 22 N -0.18 4.49 -0.36 2.92 -7.23 -1.26 -4.88 120.40 113.90 2ed9 s VAL 22 Ca -0.01 -3.60 0.03 0.00 -1.81 0.00 0.00 61.98 56.59 2ed9 s VAL 22 Cb -0.01 -3.79 0.28 0.00 0.56 0.00 0.00 36.38 33.41 2ed9 s VAL 22 CO -0.00 -1.06 1.22 0.41 -0.31 0.00 0.00 175.10 175.36 2ed9 n THR 23 N 2.65 1.57 -3.87 5.32 -1.04 -1.26 -4.72 114.28 112.94 2ed9 n THR 23 Ca 0.19 -0.67 -0.34 0.00 -2.04 0.00 0.00 64.05 61.19 2ed9 n THR 23 Cb 0.38 -0.66 -0.13 0.00 -1.82 0.00 0.00 70.33 68.10 2ed9 n THR 23 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2ed9 s LEU 24 N -1.20 5.05 0.00 -4.42 1.02 -1.26 -5.06 118.68 112.82 2ed9 s LEU 24 Ca 0.22 -2.07 -0.03 0.00 0.02 0.00 0.00 54.13 52.27 2ed9 s LEU 24 Cb 0.18 -1.75 0.01 0.00 0.02 0.00 0.00 46.19 44.65 2ed9 s LEU 24 CO 0.05 -0.48 0.31 -1.20 0.02 0.00 0.00 176.35 175.05 2ed9 n SER 25 N 4.47 -0.88 -3.53 2.29 7.64 -1.26 -5.08 113.62 117.26 2ed9 n SER 25 Ca -0.00 -1.94 -0.35 0.00 1.01 0.00 0.00 58.87 57.59 2ed9 n SER 25 Cb 0.42 1.56 -0.02 0.00 -1.01 0.00 0.00 64.21 65.16 2ed9 n SER 25 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2ed9 n ASP 26 N -1.66 5.60 -4.28 6.43 5.68 -1.26 -5.02 116.55 122.04 2ed9 n ASP 26 Ca -0.01 -3.56 -0.18 0.00 -0.50 0.00 0.00 54.79 50.54 2ed9 n ASP 26 Cb 0.31 -0.94 -0.11 0.00 -1.14 0.00 0.00 41.12 39.24 2ed9 n ASP 26 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2ed9 s VAL 27 N -3.49 1.45 1.03 2.12 -7.23 -1.26 -3.87 120.40 109.15 2ed9 s VAL 27 Ca 0.39 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.50 2ed9 s VAL 27 Cb 0.16 -1.76 0.20 0.00 0.56 0.00 0.00 36.38 35.55 2ed9 s VAL 27 CO -0.04 -0.52 1.09 -2.16 -0.31 0.00 0.00 175.10 173.17 2ed9 s PRO 28 N -3.15 0.18 -0.01 4.82 0.04 -1.26 -4.98 135.00 130.64 2ed9 s PRO 28 Ca 0.15 0.43 0.01 0.00 0.04 0.00 0.00 61.00 61.63 2ed9 s PRO 28 Cb -0.02 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.82 2ed9 s PRO 28 CO 0.04 -2.88 0.81 0.43 0.04 0.00 0.00 177.00 175.43 2ed9 n SER 29 N -4.27 1.12 -3.91 6.66 7.64 -1.26 -4.46 113.62 115.15 2ed9 n SER 29 Ca 0.06 -1.66 -0.26 0.00 1.01 0.00 0.00 58.87 58.02 2ed9 n SER 29 Cb 0.58 -0.03 -0.17 0.00 -1.01 0.00 0.00 64.21 63.57 2ed9 n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ed9 s ALA 30 N -0.66 1.23 0.93 -0.43 0.00 -1.26 -5.04 121.76 116.53 2ed9 s ALA 30 Ca 0.02 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 2ed9 s ALA 30 Cb 0.02 -0.82 0.15 0.00 0.00 0.00 0.00 23.12 22.46 2ed9 s ALA 30 CO 0.00 -0.32 1.09 -1.25 0.00 0.00 0.00 175.76 175.29 2ed9 s PRO 31 N 1.53 1.02 0.61 0.00 0.04 -1.26 -4.85 135.00 132.09 2ed9 s PRO 31 Ca 0.01 0.74 -0.17 0.00 0.04 0.00 0.00 61.00 61.62 2ed9 s PRO 31 Cb -0.13 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2ed9 s PRO 31 CO -0.06 -2.38 1.12 -1.25 0.04 0.00 0.00 177.00 174.47 2ed9 s PRO 32 N -4.94 3.02 0.48 0.56 0.04 -1.26 -4.64 135.00 128.25 2ed9 s PRO 32 Ca 0.64 1.47 0.05 0.00 0.04 0.00 0.00 61.00 63.21 2ed9 s PRO 32 Cb -0.18 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.41 2ed9 s PRO 32 CO 0.57 -1.09 0.66 -0.65 0.04 0.00 0.00 177.00 176.53 2ed9 s GLN 33 N -3.78 2.68 -1.45 4.56 -0.21 -0.88 -4.52 119.66 116.06 2ed9 s GLN 33 Ca 0.69 -1.07 -0.03 0.00 0.02 0.00 0.00 55.36 54.97 2ed9 s GLN 33 Cb -0.22 -2.64 0.02 0.00 1.00 0.00 0.00 33.01 31.17 2ed9 s GLN 33 CO 0.36 -0.48 0.46 -1.71 -2.12 0.00 0.00 175.29 171.80 2ed9 n ASN 34 N -2.07 -0.74 -4.38 5.90 2.85 -1.26 -1.28 115.26 114.29 2ed9 n ASN 34 Ca 0.08 -1.01 -0.45 0.00 -0.11 0.00 0.00 54.58 53.09 2ed9 n ASN 34 Cb 0.59 -3.00 -0.04 0.00 1.24 0.00 0.00 39.78 38.57 2ed9 n ASN 34 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2ed9 s VAL 35 N -3.88 4.99 0.19 3.44 1.01 -1.26 -4.16 120.40 120.74 2ed9 s VAL 35 Ca 0.11 -1.46 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 2ed9 s VAL 35 Cb -0.06 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 2ed9 s VAL 35 CO 0.89 -1.17 0.14 -0.55 0.00 0.00 0.00 175.10 174.41 2ed9 s SER 36 N 3.30 0.16 0.26 3.32 0.15 -1.26 -5.07 113.70 114.56 2ed9 s SER 36 Ca 0.17 -1.35 0.11 0.00 0.70 0.00 0.00 55.95 55.58 2ed9 s SER 36 Cb -0.17 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 64.47 2ed9 s SER 36 CO -0.00 -0.84 -0.10 -0.76 1.20 0.00 0.00 173.24 172.73 2ed9 s LEU 37 N -3.14 2.89 -0.16 3.45 1.43 -1.26 -4.14 118.68 117.75 2ed9 s LEU 37 Ca 0.36 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2ed9 s LEU 37 Cb 0.07 -1.43 0.08 0.00 0.03 0.00 0.00 46.19 44.93 2ed9 s LEU 37 CO 0.11 0.03 0.32 -0.70 0.23 0.00 0.00 176.35 176.34 2ed9 s GLU 38 N -3.47 0.22 -0.43 1.70 2.12 -1.18 -5.08 118.70 112.57 2ed9 s GLU 38 Ca 0.30 0.86 -0.21 0.00 0.36 0.00 0.00 54.97 56.27 2ed9 s GLU 38 Cb -0.06 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.45 2ed9 s GLU 38 CO 0.17 -0.28 0.68 0.08 -0.54 0.00 0.00 175.26 175.37 2ed9 s VAL 39 N 2.50 4.78 -0.13 3.70 1.01 -1.26 -2.14 120.40 128.86 2ed9 s VAL 39 Ca 0.00 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 2ed9 s VAL 39 Cb -0.12 -4.23 -0.25 0.00 0.00 0.00 0.00 36.38 31.78 2ed9 s VAL 39 CO -0.10 -0.60 0.44 0.58 0.00 0.00 0.00 175.10 175.41 2ed9 h VAL 40 N 5.89 0.92 -4.13 2.92 2.07 -1.86 -3.49 116.25 118.56 2ed9 h VAL 40 Ca -0.25 -2.34 -0.20 0.00 0.82 0.00 0.00 66.70 64.73 2ed9 h VAL 40 Cb 1.09 2.57 -0.15 0.00 -1.52 0.00 0.00 31.29 33.28 2ed9 h VAL 40 CO 0.91 0.67 -0.66 0.20 0.02 0.00 0.00 177.57 178.70 2ed9 s ASN 41 N -6.99 0.70 0.60 0.57 -0.87 -0.01 -4.98 114.94 103.97 2ed9 s ASN 41 Ca -0.22 -1.13 0.31 0.00 -1.57 0.00 0.00 52.86 50.25 2ed9 s ASN 41 Cb 0.05 0.20 1.84 0.00 -0.02 0.00 0.00 41.25 43.33 2ed9 s ASN 41 CO 0.73 -0.62 2.22 0.77 -2.57 0.00 0.00 177.10 177.62 2ed9 h SER 42 N 2.89 0.00 0.00 -1.22 4.64 -1.87 -1.81 113.55 116.18 2ed9 h SER 42 Ca -0.35 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 2ed9 h SER 42 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 2ed9 h SER 42 CO 0.62 0.00 -0.43 -2.11 -0.87 0.00 0.00 176.83 174.04 2ed9 n ARG 43 N -3.73 0.96 -3.68 4.77 -4.01 -1.26 -4.31 116.66 105.40 2ed9 n ARG 43 Ca -0.02 -2.48 -0.12 0.00 -1.04 0.00 0.00 57.85 54.19 2ed9 n ARG 43 Cb 0.15 -1.12 -0.13 0.00 -3.04 0.00 0.00 32.46 28.32 2ed9 n ARG 43 CO 0.00 0.00 0.00 -1.12 -3.04 0.00 0.00 177.63 173.47 2ed9 s SER 44 N -2.55 0.07 -0.03 2.89 0.01 -0.68 -0.83 113.70 112.58 2ed9 s SER 44 Ca 0.29 0.65 0.01 0.00 1.31 0.00 0.00 55.95 58.22 2ed9 s SER 44 Cb 0.28 0.72 0.01 0.00 0.21 0.00 0.00 66.02 67.24 2ed9 s SER 44 CO -0.04 -0.22 -0.05 -0.63 0.41 0.00 0.00 173.24 172.71 2ed9 s ILE 45 N 2.10 0.53 0.03 1.44 1.01 -0.81 -0.83 121.20 124.66 2ed9 s ILE 45 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.46 2ed9 s ILE 45 Cb -0.11 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 2ed9 s ILE 45 CO -0.09 0.20 0.12 -0.75 0.00 0.00 0.00 174.94 174.42 2ed9 s LYS 46 N 0.56 3.15 -0.07 2.79 2.20 -0.91 -0.82 119.74 126.64 2ed9 s LYS 46 Ca -0.07 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.02 2ed9 s LYS 46 Cb -0.11 -2.90 0.03 0.00 -1.51 0.00 0.00 37.83 33.34 2ed9 s LYS 46 CO 0.00 0.62 -0.02 0.08 -0.36 0.00 0.00 175.35 175.67 2ed9 s VAL 47 N -1.33 0.52 0.27 4.02 1.01 0.11 -3.10 120.40 121.89 2ed9 s VAL 47 Ca 0.28 -0.00 0.11 0.00 0.00 0.00 0.00 61.98 62.37 2ed9 s VAL 47 Cb -0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2ed9 s VAL 47 CO 0.20 0.27 -0.17 -0.44 0.00 0.00 0.00 175.10 174.96 2ed9 s SER 48 N 1.66 3.75 -0.19 3.32 0.01 -1.26 -0.14 113.70 120.85 2ed9 s SER 48 Ca 0.01 -0.94 -0.21 0.00 1.31 0.00 0.00 55.95 56.12 2ed9 s SER 48 Cb -0.13 -0.39 0.06 0.00 0.21 0.00 0.00 66.02 65.76 2ed9 s SER 48 CO -0.04 0.04 0.58 -1.66 0.41 0.00 0.00 173.24 172.56 2ed9 s TRP 49 N -2.38 -0.61 0.24 2.43 -2.14 -0.54 -4.18 118.94 111.75 2ed9 s TRP 49 Ca 0.29 1.43 0.08 0.00 2.66 0.00 0.00 56.10 60.56 2ed9 s TRP 49 Cb -0.06 0.23 -0.04 0.00 -3.10 0.00 0.00 33.47 30.51 2ed9 s TRP 49 CO 0.15 -0.35 0.09 -0.51 -2.66 0.00 0.00 176.95 173.68 2ed9 s LEU 50 N 0.04 3.51 0.59 -4.66 2.01 -0.40 -4.79 118.68 114.99 2ed9 s LEU 50 Ca -0.02 -0.41 -0.18 0.00 0.01 0.00 0.00 54.13 53.54 2ed9 s LEU 50 Cb -0.04 -2.06 -0.03 0.00 0.01 0.00 0.00 46.19 44.07 2ed9 s LEU 50 CO 0.02 0.00 1.12 -2.16 1.01 0.00 0.00 176.35 176.35 2ed9 s PRO 51 N -3.58 3.12 0.99 1.29 0.04 -1.26 -2.06 135.00 133.54 2ed9 s PRO 51 Ca 0.31 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 2ed9 s PRO 51 Cb -0.08 -1.98 0.18 0.00 0.04 0.00 0.00 34.50 32.66 2ed9 s PRO 51 CO 0.22 -1.02 1.09 -1.25 0.04 0.00 0.00 177.00 176.09 2ed9 s PRO 52 N -3.64 0.50 0.20 0.56 0.04 -1.26 -4.23 135.00 127.18 2ed9 s PRO 52 Ca 0.70 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 2ed9 s PRO 52 Cb -0.22 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2ed9 s PRO 52 CO 0.33 -2.69 1.30 -1.25 0.04 0.00 0.00 177.00 174.73 2ed9 s PRO 53 N -4.96 4.39 0.24 0.56 0.04 -1.26 -4.91 135.00 129.11 2ed9 s PRO 53 Ca 0.65 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.46 2ed9 s PRO 53 Cb -0.19 -3.19 -0.16 0.00 0.04 0.00 0.00 34.50 31.00 2ed9 s PRO 53 CO 0.58 -0.24 0.69 0.45 0.04 0.00 0.00 177.00 178.51 2ed9 n SER 54 N 2.57 -0.37 0.00 6.66 2.88 -1.26 -2.59 113.62 121.51 2ed9 n SER 54 Ca 0.06 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 2ed9 n SER 54 Cb 0.43 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 2ed9 n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ed9 n GLY 55 N 1.72 2.59 0.22 0.46 0.00 -1.26 -4.81 105.19 104.11 2ed9 n GLY 55 Ca 0.15 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 2ed9 n GLY 55 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ed9 h THR 56 N 0.00 0.57 -0.13 2.61 1.35 -1.89 -3.34 112.91 112.08 2ed9 h THR 56 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2ed9 h THR 56 Cb 0.00 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 66.99 2ed9 h THR 56 CO 0.00 0.00 0.01 0.00 -0.25 0.00 0.00 175.52 175.28 2ed9 n GLN 57 N -5.31 0.17 -1.08 4.72 10.64 -1.25 -4.56 117.38 120.72 2ed9 n GLN 57 Ca -0.04 -1.55 -0.30 0.00 -1.83 0.00 0.00 57.00 53.28 2ed9 n GLN 57 Cb 0.23 -3.90 -0.04 0.00 -0.86 0.00 0.00 30.24 25.67 2ed9 n GLN 57 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2ed9 n ASN 58 N 19.81 7.05 0.00 2.61 5.15 -1.26 -4.78 115.26 143.85 2ed9 n ASN 58 Ca 0.42 -2.46 0.00 0.00 -0.60 0.00 0.00 54.58 51.94 2ed9 n ASN 58 Cb 0.46 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 2ed9 n ASN 58 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ed9 n GLY 59 N 3.50 -1.79 3.45 8.20 0.00 -1.26 -4.90 105.19 112.39 2ed9 n GLY 59 Ca 0.63 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 2ed9 n GLY 59 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ed9 s PHE 60 N -2.32 3.19 -0.96 1.61 2.19 -1.26 -4.89 117.98 115.54 2ed9 s PHE 60 Ca 0.00 -0.61 -0.26 0.00 0.33 0.00 0.00 56.93 56.40 2ed9 s PHE 60 Cb 0.00 -2.96 -0.20 0.00 -1.31 0.00 0.00 43.02 38.55 2ed9 s PHE 60 CO 0.00 -0.74 1.97 -0.89 1.83 0.00 0.00 175.22 177.39 2ed9 n ILE 61 N 5.32 0.84 0.21 3.12 5.41 -1.26 -0.96 119.36 132.04 2ed9 n ILE 61 Ca -0.10 -0.84 0.16 0.00 1.00 0.00 0.00 62.75 62.97 2ed9 n ILE 61 Cb 0.46 -2.09 0.81 0.00 -0.71 0.00 0.00 39.64 38.11 2ed9 n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ed9 h THR 62 N 6.09 0.56 -0.11 1.39 1.03 -1.80 -3.47 112.91 116.61 2ed9 h THR 62 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.55 2ed9 h THR 62 Cb 0.91 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 2ed9 h THR 62 CO 1.30 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 177.42 2ed9 n GLY 63 N -1.42 0.91 3.08 2.99 0.00 -1.21 -4.96 105.19 104.57 2ed9 n GLY 63 Ca 0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 2ed9 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ed9 s TYR 64 N -2.10 0.29 0.03 1.61 1.51 -1.26 -1.78 117.35 115.65 2ed9 s TYR 64 Ca 0.00 -0.64 0.06 0.00 -1.01 0.00 0.00 57.07 55.48 2ed9 s TYR 64 Cb 0.00 -0.21 -0.03 0.00 -0.11 0.00 0.00 41.96 41.61 2ed9 s TYR 64 CO 0.00 -0.33 -0.14 0.21 -1.11 0.00 0.00 175.55 174.18 2ed9 s LYS 65 N -2.66 2.24 -0.29 -0.62 2.20 -0.19 -4.01 119.74 116.42 2ed9 s LYS 65 Ca -0.05 -0.90 0.01 0.00 -0.36 0.00 0.00 55.97 54.68 2ed9 s LYS 65 Cb -0.01 -2.30 0.08 0.00 -1.51 0.00 0.00 37.83 34.09 2ed9 s LYS 65 CO -0.05 0.56 0.02 0.42 -0.36 0.00 0.00 175.35 175.94 2ed9 s ILE 66 N -0.97 1.54 -0.26 5.43 1.01 -0.03 -1.66 121.20 126.26 2ed9 s ILE 66 Ca 0.16 -1.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.03 2ed9 s ILE 66 Cb -0.11 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 2ed9 s ILE 66 CO 0.07 -0.42 0.53 -0.60 0.00 0.00 0.00 174.94 174.52 2ed9 s ARG 67 N 1.32 4.08 0.30 2.79 6.06 -1.24 -2.36 118.95 129.91 2ed9 s ARG 67 Ca 0.04 0.36 0.07 0.00 -2.50 0.00 0.00 55.73 53.69 2ed9 s ARG 67 Cb -0.18 -3.64 -0.06 0.00 0.06 0.00 0.00 34.95 31.12 2ed9 s ARG 67 CO -0.12 -0.34 -0.05 -3.38 -2.50 0.00 0.00 175.30 168.90 2ed9 s HIS 68 N 2.28 2.02 0.19 5.12 -3.43 -1.07 -2.69 115.29 117.71 2ed9 s HIS 68 Ca 0.22 -0.70 -0.23 0.00 -0.80 0.00 0.00 55.06 53.55 2ed9 s HIS 68 Cb -0.16 -1.19 0.05 0.00 -1.43 0.00 0.00 32.58 29.86 2ed9 s HIS 68 CO 0.09 0.29 0.77 -0.98 -2.00 0.00 0.00 174.74 172.91 2ed9 s ARG 69 N -3.73 1.42 0.07 -0.38 1.70 -1.19 -2.09 118.95 114.76 2ed9 s ARG 69 Ca 0.31 -0.71 0.05 0.00 -0.47 0.00 0.00 55.73 54.91 2ed9 s ARG 69 Cb 0.04 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 2ed9 s ARG 69 CO 0.13 -0.64 -0.05 0.21 -1.08 0.00 0.00 175.30 173.87 2ed9 s LYS 70 N -3.64 2.42 0.48 3.89 2.47 -0.56 -3.25 119.74 121.55 2ed9 s LYS 70 Ca 0.08 -0.86 0.34 0.00 -1.56 0.00 0.00 55.97 53.97 2ed9 s LYS 70 Cb -0.03 -2.46 1.48 0.00 -1.46 0.00 0.00 37.83 35.36 2ed9 s LYS 70 CO -0.01 0.55 1.66 1.79 0.16 0.00 0.00 175.35 179.50 2ed9 h THR 71 N 3.21 0.19 -3.28 3.43 1.35 -1.92 -3.42 112.91 112.47 2ed9 h THR 71 Ca -0.48 -0.03 -0.57 0.00 -0.55 0.00 0.00 66.41 64.78 2ed9 h THR 71 Cb 1.17 0.10 0.18 0.00 -1.73 0.00 0.00 68.15 67.86 2ed9 h THR 71 CO 0.56 0.02 -0.26 1.07 -0.25 0.00 0.00 175.52 176.66 2ed9 n THR 72 N -4.43 2.34 0.11 6.82 5.66 -1.26 -4.91 114.28 118.60 2ed9 n THR 72 Ca 0.35 -0.44 -0.11 0.00 -3.05 0.00 0.00 64.05 60.81 2ed9 n THR 72 Cb 1.47 -0.83 -0.06 0.00 -1.55 0.00 0.00 70.33 69.36 2ed9 n THR 72 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2ed9 h ARG 73 N -0.09 -0.50 -4.29 1.09 3.08 -2.05 -3.36 114.38 108.26 2ed9 h ARG 73 Ca -0.46 0.03 -0.74 0.00 0.07 0.00 0.00 59.98 58.88 2ed9 h ARG 73 Cb 1.36 0.11 -0.23 0.00 0.08 0.00 0.00 29.97 31.30 2ed9 h ARG 73 CO 0.45 -0.33 -0.32 1.03 -1.07 0.00 0.00 179.97 179.73 2ed9 s ARG 74 N -4.72 2.98 -0.33 0.04 0.52 -1.26 -4.82 118.95 111.35 2ed9 s ARG 74 Ca -0.10 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 53.76 2ed9 s ARG 74 Cb 0.03 -4.14 0.14 0.00 0.52 0.00 0.00 34.95 31.50 2ed9 s ARG 74 CO 0.37 -1.05 1.13 0.41 0.02 0.00 0.00 175.30 176.19 2ed9 n GLY 75 N 5.20 -0.38 3.40 -3.53 0.00 -1.26 -5.00 105.19 103.62 2ed9 n GLY 75 Ca -0.13 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2ed9 n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ed9 s GLU 76 N 0.07 3.07 0.25 1.61 8.01 -1.26 -1.50 118.70 128.95 2ed9 s GLU 76 Ca 0.08 -0.90 0.12 0.00 0.01 0.00 0.00 54.97 54.28 2ed9 s GLU 76 Cb 0.14 -3.62 -0.05 0.00 -4.31 0.00 0.00 34.13 26.29 2ed9 s GLU 76 CO -0.04 -0.55 -0.21 -1.64 0.01 0.00 0.00 175.26 172.83 2ed9 s MET 77 N 1.57 1.62 0.09 1.61 -1.94 -0.89 -5.02 119.30 116.34 2ed9 s MET 77 Ca 0.03 -1.68 0.09 0.00 -1.71 0.00 0.00 55.69 52.42 2ed9 s MET 77 Cb -0.18 -1.78 -0.04 0.00 2.01 0.00 0.00 34.83 34.84 2ed9 s MET 77 CO 0.06 0.35 -0.20 -1.21 -0.01 0.00 0.00 175.02 174.01 2ed9 s GLU 78 N -3.23 1.81 -0.24 2.03 2.02 -1.26 -2.60 118.70 117.23 2ed9 s GLU 78 Ca 0.27 -1.14 -0.18 0.00 0.02 0.00 0.00 54.97 53.94 2ed9 s GLU 78 Cb -0.06 -2.09 0.07 0.00 0.10 0.00 0.00 34.13 32.15 2ed9 s GLU 78 CO 0.13 0.50 0.60 0.99 0.02 0.00 0.00 175.26 177.50 2ed9 s THR 79 N -1.03 -0.00 0.02 3.63 2.01 -0.99 -5.01 115.64 114.26 2ed9 s THR 79 Ca 0.16 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.19 2ed9 s THR 79 Cb -0.10 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 2ed9 s THR 79 CO 0.07 0.01 -0.07 -1.48 -0.69 0.00 0.00 174.62 172.46 2ed9 s LEU 80 N 0.89 2.13 -0.29 4.42 0.05 -1.26 -0.85 118.68 123.77 2ed9 s LEU 80 Ca -0.05 -0.32 -0.02 0.00 0.05 0.00 0.00 54.13 53.80 2ed9 s LEU 80 Cb -0.05 -0.24 0.09 0.00 -2.05 0.00 0.00 46.19 43.94 2ed9 s LEU 80 CO -0.08 -0.06 0.10 -0.70 -0.55 0.00 0.00 176.35 175.06 2ed9 s GLU 81 N -0.83 0.56 0.33 1.48 2.12 -1.26 -4.99 118.70 116.11 2ed9 s GLU 81 Ca -0.03 -0.82 0.12 0.00 0.36 0.00 0.00 54.97 54.60 2ed9 s GLU 81 Cb -0.06 -1.78 0.57 0.00 0.26 0.00 0.00 34.13 33.12 2ed9 s GLU 81 CO 0.00 -0.94 1.73 -1.00 -0.54 0.00 0.00 175.26 174.51 2ed9 h PRO 82 N 8.20 0.00 -0.49 4.30 0.13 -1.93 -3.32 132.00 138.90 2ed9 h PRO 82 Ca -0.16 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.02 2ed9 h PRO 82 Cb 1.03 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.10 2ed9 h PRO 82 CO 0.44 0.48 -0.29 0.09 -0.23 0.00 0.00 178.00 178.49 2ed9 n ASN 83 N -3.94 -0.52 -2.57 1.44 3.02 -1.26 -4.78 115.26 106.65 2ed9 n ASN 83 Ca -0.02 1.33 -0.13 0.00 -0.03 0.00 0.00 54.58 55.74 2ed9 n ASN 83 Cb 0.50 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 2ed9 n ASN 83 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ed9 n ASN 84 N -4.10 0.26 -1.86 6.41 3.02 -1.25 -5.04 115.26 112.71 2ed9 n ASN 84 Ca 0.01 -2.29 -0.05 0.00 -0.03 0.00 0.00 54.58 52.22 2ed9 n ASN 84 Cb 0.13 0.82 0.27 0.00 -0.61 0.00 0.00 39.78 40.39 2ed9 n ASN 84 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ed9 n LEU 85 N 0.00 5.60 -3.87 3.41 4.77 -1.26 -4.82 117.00 120.83 2ed9 n LEU 85 Ca 0.01 -2.91 -0.12 0.00 -0.03 0.00 0.00 56.01 52.97 2ed9 n LEU 85 Cb 0.36 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 2ed9 n LEU 85 CO 0.19 0.74 -0.31 -1.66 -1.33 0.00 0.00 177.39 175.02 2ed9 s TRP 86 N -2.67 -0.01 -0.04 -1.77 1.48 -1.26 -1.47 118.94 113.21 2ed9 s TRP 86 Ca 0.48 0.04 0.02 0.00 -1.06 0.00 0.00 56.10 55.58 2ed9 s TRP 86 Cb 0.38 -0.01 0.01 0.00 -1.16 0.00 0.00 33.47 32.70 2ed9 s TRP 86 CO 0.12 -0.06 -0.07 -0.47 -4.06 0.00 0.00 176.95 172.42 2ed9 s TYR 87 N -0.21 0.87 -0.31 1.66 6.14 0.81 -4.97 117.35 121.33 2ed9 s TYR 87 Ca -0.03 -0.25 -0.04 0.00 0.64 0.00 0.00 57.07 57.40 2ed9 s TYR 87 Cb -0.02 -0.69 0.04 0.00 0.42 0.00 0.00 41.96 41.71 2ed9 s TYR 87 CO 0.00 -0.16 0.04 -1.17 0.64 0.00 0.00 175.55 174.90 2ed9 s LEU 88 N 0.61 3.98 0.21 6.97 1.98 -1.26 0.03 118.68 131.20 2ed9 s LEU 88 Ca -0.09 -1.11 -0.12 0.00 -2.89 0.00 0.00 54.13 49.92 2ed9 s LEU 88 Cb -0.12 -1.79 -0.07 0.00 0.66 0.00 0.00 46.19 44.87 2ed9 s LEU 88 CO 0.01 -0.26 0.57 -0.36 -1.89 0.00 0.00 176.35 174.41 2ed9 s PHE 89 N 1.35 3.49 -0.07 5.38 0.40 0.00 -4.96 117.98 123.57 2ed9 s PHE 89 Ca -0.02 0.98 -0.06 0.00 -0.60 0.00 0.00 56.93 57.23 2ed9 s PHE 89 Cb -0.19 -2.33 0.03 0.00 0.51 0.00 0.00 43.02 41.04 2ed9 s PHE 89 CO 0.01 0.32 0.19 0.95 0.70 0.00 0.00 175.22 177.38 2ed9 s THR 90 N -1.70 -0.01 0.00 0.64 -4.23 -1.26 -1.93 115.64 107.15 2ed9 s THR 90 Ca 0.44 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 2ed9 s THR 90 Cb -0.13 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.44 2ed9 s THR 90 CO 0.20 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 2ed9 n GLY 91 N 3.38 1.31 3.99 3.99 0.00 -0.01 -5.02 105.19 112.83 2ed9 n GLY 91 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2ed9 n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ed9 s LEU 92 N 0.00 3.19 -0.07 0.99 1.43 -1.17 -5.07 118.68 117.98 2ed9 s LEU 92 Ca 0.00 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 2ed9 s LEU 92 Cb 0.00 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2ed9 s LEU 92 CO 0.00 -1.35 0.28 -1.61 0.23 0.00 0.00 176.35 173.90 2ed9 s GLU 93 N -4.84 3.72 0.36 1.70 0.41 -1.26 -4.62 118.70 114.17 2ed9 s GLU 93 Ca 0.60 0.14 -0.26 0.00 -0.41 0.00 0.00 54.97 55.04 2ed9 s GLU 93 Cb -0.08 -3.22 -0.09 0.00 -1.78 0.00 0.00 34.13 28.96 2ed9 s GLU 93 CO 0.40 0.70 1.07 -1.59 -0.49 0.00 0.00 175.26 175.36 2ed9 s LYS 94 N -0.96 4.32 -0.95 1.61 -2.85 -1.26 -3.81 119.74 115.84 2ed9 s LYS 94 Ca 0.19 1.63 -0.01 0.00 -1.00 0.00 0.00 55.97 56.78 2ed9 s LYS 94 Cb -0.14 -2.77 0.00 0.00 -2.06 0.00 0.00 37.83 32.86 2ed9 s LYS 94 CO 0.08 -0.03 0.80 0.41 0.10 0.00 0.00 175.35 176.71 2ed9 n GLY 95 N 0.66 -0.18 3.28 0.59 0.00 -1.26 -4.99 105.19 103.30 2ed9 n GLY 95 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2ed9 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ed9 s SER 96 N -3.88 0.12 0.23 1.61 0.01 -1.25 -5.05 113.70 105.50 2ed9 s SER 96 Ca 0.09 -1.16 0.07 0.00 1.31 0.00 0.00 55.95 56.27 2ed9 s SER 96 Cb -0.04 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 2ed9 s SER 96 CO 0.56 -0.87 0.15 -1.58 0.41 0.00 0.00 173.24 171.91 2ed9 s GLN 97 N -4.07 2.83 -0.18 12.44 0.74 -1.26 -2.91 119.66 127.25 2ed9 s GLN 97 Ca 0.28 -1.06 -0.17 0.00 0.05 0.00 0.00 55.36 54.45 2ed9 s GLN 97 Cb 0.05 -2.52 0.05 0.00 1.10 0.00 0.00 33.01 31.68 2ed9 s GLN 97 CO 0.06 0.41 0.49 0.71 -0.55 0.00 0.00 175.29 176.42 2ed9 s TYR 98 N -2.07 -0.53 0.05 1.67 1.51 -1.04 -4.21 117.35 112.73 2ed9 s TYR 98 Ca 0.32 1.29 0.03 0.00 -1.01 0.00 0.00 57.07 57.70 2ed9 s TYR 98 Cb -0.08 0.19 -0.04 0.00 -0.11 0.00 0.00 41.96 41.92 2ed9 s TYR 98 CO 0.24 -0.27 0.02 -1.12 -1.11 0.00 0.00 175.55 173.30 2ed9 s SER 99 N 0.18 5.18 0.19 2.29 0.01 -1.20 -0.85 113.70 119.50 2ed9 s SER 99 Ca -0.01 -0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.09 2ed9 s SER 99 Cb -0.03 -1.31 -0.01 0.00 0.21 0.00 0.00 66.02 64.87 2ed9 s SER 99 CO 0.01 0.21 0.30 -0.36 0.41 0.00 0.00 173.24 173.82 2ed9 s PHE 100 N -1.25 0.53 0.17 2.43 0.08 0.75 -3.15 117.98 117.55 2ed9 s PHE 100 Ca 0.24 -0.87 -0.24 0.00 0.12 0.00 0.00 56.93 56.18 2ed9 s PHE 100 Cb -0.12 -0.09 0.06 0.00 -0.57 0.00 0.00 43.02 42.30 2ed9 s PHE 100 CO 0.16 -0.78 0.94 1.14 -0.10 0.00 0.00 175.22 176.58 2ed9 s GLN 101 N -4.02 1.29 -0.01 0.44 -2.07 -1.10 -1.56 119.66 112.64 2ed9 s GLN 101 Ca 0.23 -0.72 0.01 0.00 -1.82 0.00 0.00 55.36 53.06 2ed9 s GLN 101 Cb 0.03 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.38 2ed9 s GLN 101 CO 0.05 -0.59 -0.04 0.08 -1.32 0.00 0.00 175.29 173.47 2ed9 s VAL 102 N -3.29 0.32 -0.05 3.63 1.01 -1.26 -3.64 120.40 117.12 2ed9 s VAL 102 Ca 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 2ed9 s VAL 102 Cb -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2ed9 s VAL 102 CO 0.03 0.11 -0.02 -0.44 0.00 0.00 0.00 175.10 174.78 2ed9 s SER 103 N 0.09 1.17 -0.40 3.32 0.01 -0.66 -2.04 113.70 115.19 2ed9 s SER 103 Ca -0.01 -0.10 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 2ed9 s SER 103 Cb -0.04 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.77 2ed9 s SER 103 CO -0.00 -0.12 1.44 0.00 0.41 0.00 0.00 173.24 174.97 2ed9 s ALA 104 N 1.38 3.05 -0.17 1.44 0.00 -1.26 -1.02 121.76 125.18 2ed9 s ALA 104 Ca -0.04 -0.10 -0.24 0.00 0.00 0.00 0.00 51.96 51.58 2ed9 s ALA 104 Cb -0.13 -3.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.03 2ed9 s ALA 104 CO -0.03 -2.38 0.76 -1.64 0.00 0.00 0.00 175.76 172.47 2ed9 s MET 105 N 4.96 4.28 0.20 0.00 -1.94 -0.73 -1.73 119.30 124.33 2ed9 s MET 105 Ca 0.63 0.89 0.07 0.00 -1.71 0.00 0.00 55.69 55.56 2ed9 s MET 105 Cb -0.15 -3.56 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 2ed9 s MET 105 CO 0.32 -0.27 0.09 0.95 -0.01 0.00 0.00 175.02 176.11 2ed9 s THR 106 N 1.97 4.13 0.57 2.05 -4.23 -0.68 -2.47 115.64 116.98 2ed9 s THR 106 Ca 0.35 -1.35 0.34 0.00 -1.18 0.00 0.00 61.69 59.86 2ed9 s THR 106 Cb -0.16 -3.14 0.50 0.00 1.34 0.00 0.00 72.50 71.04 2ed9 s THR 106 CO 0.12 -0.19 1.35 0.55 -0.54 0.00 0.00 174.62 175.91 2ed9 n VAL 107 N -0.52 0.00 -0.01 2.29 3.14 -0.13 -1.15 118.33 121.94 2ed9 n VAL 107 Ca -0.08 1.30 -0.00 0.00 -2.96 0.00 0.00 64.34 62.60 2ed9 n VAL 107 Cb 0.56 -2.27 -0.00 0.00 -1.06 0.00 0.00 33.84 31.07 2ed9 n VAL 107 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2ed9 h ASN 108 N 0.00 0.00 -2.09 6.55 2.35 -1.87 -3.50 115.58 117.01 2ed9 h ASN 108 Ca 0.63 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 56.44 2ed9 h ASN 108 Cb 3.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 41.52 2ed9 h ASN 108 CO -0.01 0.09 0.31 0.61 -1.65 0.00 0.00 177.43 176.79 2ed9 n GLY 109 N 1.94 1.02 3.77 2.83 0.00 -0.30 -5.07 105.19 109.39 2ed9 n GLY 109 Ca -0.00 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 2ed9 n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ed9 s THR 110 N -2.29 2.42 0.00 2.61 -4.23 -1.26 -1.69 115.64 111.19 2ed9 s THR 110 Ca 0.14 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 2ed9 s THR 110 Cb -0.03 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2ed9 s THR 110 CO 0.06 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2ed9 n GLY 111 N 0.67 0.27 3.70 3.99 0.00 -0.71 -4.77 105.19 108.34 2ed9 n GLY 111 Ca 0.01 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2ed9 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ed9 s PRO 112 N -0.60 4.29 -0.38 1.61 0.04 -1.26 -4.78 135.00 133.92 2ed9 s PRO 112 Ca 0.00 2.02 -0.28 0.00 0.04 0.00 0.00 61.00 62.78 2ed9 s PRO 112 Cb 0.00 -3.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2ed9 s PRO 112 CO 0.00 -0.54 1.72 -1.25 0.04 0.00 0.00 177.00 176.97 2ed9 s PRO 113 N 2.02 3.31 1.08 0.56 0.04 -1.26 -4.58 135.00 136.17 2ed9 s PRO 113 Ca 0.65 1.23 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 2ed9 s PRO 113 Cb -0.34 -4.18 0.03 0.00 0.04 0.00 0.00 34.50 30.05 2ed9 s PRO 113 CO 0.28 -1.89 -0.41 -1.13 0.04 0.00 0.00 177.00 173.89 2ed9 n SER 114 N 10.22 -2.59 -4.59 6.66 3.41 -0.87 -4.82 113.62 121.04 2ed9 n SER 114 Ca 0.21 -0.12 -0.41 0.00 -0.26 0.00 0.00 58.87 58.29 2ed9 n SER 114 Cb 0.48 -0.81 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 2ed9 n SER 114 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2ed9 n ASN 115 N -0.18 0.96 -4.56 4.04 4.13 -1.26 -4.71 115.26 113.68 2ed9 n ASN 115 Ca 0.00 1.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.90 2ed9 n ASN 115 Cb 0.64 -1.33 -0.04 0.00 -1.54 0.00 0.00 39.78 37.52 2ed9 n ASN 115 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2ed9 s TRP 116 N -1.31 2.23 0.04 3.10 0.52 -1.26 -4.72 118.94 117.54 2ed9 s TRP 116 Ca 0.64 -0.21 -0.28 0.00 0.02 0.00 0.00 56.10 56.28 2ed9 s TRP 116 Cb -0.55 -4.46 -0.05 0.00 -1.15 0.00 0.00 33.47 27.26 2ed9 s TRP 116 CO 0.56 -1.93 0.88 0.71 0.02 0.00 0.00 176.95 177.19 2ed9 s TYR 117 N 6.80 3.72 -0.02 -1.98 2.02 -0.60 -4.85 117.35 122.43 2ed9 s TYR 117 Ca 0.53 1.62 0.03 0.00 -0.37 0.00 0.00 57.07 58.88 2ed9 s TYR 117 Cb -0.04 -2.98 -0.03 0.00 -0.40 0.00 0.00 41.96 38.51 2ed9 s TYR 117 CO -0.02 0.15 -0.09 0.99 -1.57 0.00 0.00 175.55 175.01 2ed9 s THR 118 N 0.37 3.49 -0.01 -0.71 2.01 -1.26 -0.17 115.64 119.36 2ed9 s THR 118 Ca 0.45 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.79 2ed9 s THR 118 Cb -0.21 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 2ed9 s THR 118 CO 0.26 0.48 -0.19 0.00 -0.69 0.00 0.00 174.62 174.48 2ed9 s ALA 119 N -0.90 1.59 -0.19 7.40 0.00 -0.03 -5.00 121.76 124.64 2ed9 s ALA 119 Ca 0.15 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 2ed9 s ALA 119 Cb -0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2ed9 s ALA 119 CO 0.04 0.39 0.06 -1.21 0.00 0.00 0.00 175.76 175.04 2ed9 s GLU 120 N -0.49 3.90 0.20 0.00 2.02 -1.26 -2.50 118.70 120.57 2ed9 s GLU 120 Ca 0.07 -0.38 -0.26 0.00 0.02 0.00 0.00 54.97 54.42 2ed9 s GLU 120 Cb -0.07 -3.21 -0.08 0.00 0.10 0.00 0.00 34.13 30.86 2ed9 s GLU 120 CO -0.01 0.19 0.83 0.95 0.02 0.00 0.00 175.26 177.25 2ed9 s THR 121 N 0.58 4.28 -0.09 3.63 -4.23 -1.14 -4.95 115.64 113.71 2ed9 s THR 121 Ca 0.03 1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 62.05 2ed9 s THR 121 Cb -0.13 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.49 2ed9 s THR 121 CO 0.01 0.48 1.52 -2.16 -0.54 0.00 0.00 174.62 173.93 2ed9 s PRO 122 N -1.24 4.20 0.47 3.99 0.04 -1.26 -4.17 135.00 137.03 2ed9 s PRO 122 Ca 0.38 2.01 0.24 0.00 0.04 0.00 0.00 61.00 63.67 2ed9 s PRO 122 Cb -0.23 -3.90 1.27 0.00 0.04 0.00 0.00 34.50 31.68 2ed9 s PRO 122 CO 0.28 -0.79 1.86 0.93 0.04 0.00 0.00 177.00 179.32 2ed9 h GLU 123 N 9.05 0.21 -0.01 4.56 5.08 -1.95 -3.41 114.58 128.11 2ed9 h GLU 123 Ca -0.35 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2ed9 h GLU 123 Cb 1.15 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2ed9 h GLU 123 CO 0.96 0.14 0.00 0.27 -1.00 0.00 0.00 179.01 179.38