#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 -0.32 -0.29 1.61 0.01 -1.26 -5.18 113.70 108.27 2ed9 s SER 2 Ca 0.00 -0.46 -0.20 0.00 1.31 0.00 0.00 55.95 56.59 2ed9 s SER 2 Cb 0.00 0.67 0.16 0.00 0.21 0.00 0.00 66.02 67.06 2ed9 s SER 2 CO 0.00 -1.21 1.15 -0.55 0.41 0.00 0.00 173.24 173.04 2ed9 s SER 3 N -2.88 -0.31 0.00 2.44 0.15 -1.26 -5.19 113.70 106.66 2ed9 s SER 3 Ca 0.09 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2ed9 s SER 3 Cb -0.04 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 2ed9 s SER 3 CO 0.01 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2ed9 n GLY 4 N 2.73 4.96 3.62 9.45 0.00 -1.26 -5.17 105.19 119.52 2ed9 n GLY 4 Ca -0.15 -2.16 -0.06 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.49 -0.22 -0.29 1.61 1.04 -1.26 -5.18 113.70 108.91 2ed9 s SER 5 Ca 0.00 0.29 -0.22 0.00 0.48 0.00 0.00 55.95 56.50 2ed9 s SER 5 Cb 0.00 0.25 0.17 0.00 0.10 0.00 0.00 66.02 66.54 2ed9 s SER 5 CO 0.00 -0.16 1.22 -0.55 0.98 0.00 0.00 173.24 174.72 2ed9 s SER 6 N -0.74 -0.25 -0.30 7.02 0.15 -1.26 -5.17 113.70 113.16 2ed9 s SER 6 Ca 0.04 0.45 -0.17 0.00 0.70 0.00 0.00 55.95 56.97 2ed9 s SER 6 Cb -0.02 0.65 0.18 0.00 -1.71 0.00 0.00 66.02 65.12 2ed9 s SER 6 CO -0.05 -0.08 1.13 -0.83 1.20 0.00 0.00 173.24 174.61 2ed9 s GLY 7 N 0.43 0.14 -0.30 9.45 0.00 -1.26 -5.16 107.32 110.63 2ed9 s GLY 7 Ca 0.01 3.41 -0.16 0.00 0.00 0.00 0.00 44.72 47.98 2ed9 s GLY 7 CO -0.12 3.09 1.11 -1.31 0.00 0.00 0.00 173.10 175.87 2ed9 s ASN 8 N 1.88 -0.37 -0.00 1.64 -0.87 -1.26 -5.17 114.94 110.78 2ed9 s ASN 8 Ca -0.04 0.46 0.04 0.00 -1.57 0.00 0.00 52.86 51.76 2ed9 s ASN 8 Cb -0.03 1.40 -0.01 0.00 -0.02 0.00 0.00 41.25 42.59 2ed9 s ASN 8 CO -0.15 -0.07 -0.13 -0.13 -2.57 0.00 0.00 177.10 174.04 2ed9 s ARG 9 N 2.39 1.05 -0.29 -0.60 0.52 -1.26 -5.04 118.95 115.72 2ed9 s ARG 9 Ca -0.01 -0.51 -0.23 0.00 -0.52 0.00 0.00 55.73 54.46 2ed9 s ARG 9 Cb -0.05 -1.02 0.17 0.00 0.52 0.00 0.00 34.95 34.56 2ed9 s ARG 9 CO -0.16 0.28 1.22 -0.47 0.02 0.00 0.00 175.30 176.19 2ed9 s TYR 10 N -0.39 -0.26 0.00 -0.53 6.14 -1.26 -5.13 117.35 115.92 2ed9 s TYR 10 Ca 0.05 0.60 0.00 0.00 0.64 0.00 0.00 57.07 58.36 2ed9 s TYR 10 Cb -0.05 0.37 0.00 0.00 0.42 0.00 0.00 41.96 42.69 2ed9 s TYR 10 CO -0.00 -0.13 0.00 0.41 0.64 0.00 0.00 175.55 176.47 2ed9 n GLY 11 N 2.27 -0.90 0.00 8.97 0.00 -1.26 -4.56 105.19 109.71 2ed9 n GLY 11 Ca -0.13 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.57 0.00 1.61 -0.04 -1.26 -4.76 135.00 129.98 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 2.43 -0.05 3.17 0.55 0.00 -1.26 -4.93 105.19 105.10 2ed9 n GLY 13 Ca 0.00 0.64 -0.31 0.00 0.00 0.00 0.00 46.02 46.36 2ed9 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ed9 s VAL 14 N 0.00 1.86 -0.28 1.61 1.01 -1.26 -5.11 120.40 118.23 2ed9 s VAL 14 Ca 0.00 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 2ed9 s VAL 14 Cb 0.00 -1.63 0.15 0.00 0.00 0.00 0.00 36.38 34.90 2ed9 s VAL 14 CO 0.00 0.51 1.21 -0.94 0.00 0.00 0.00 175.10 175.89 2ed9 s SER 15 N 0.52 -0.26 0.46 3.32 1.04 -1.26 -5.18 113.70 112.33 2ed9 s SER 15 Ca -0.15 0.49 0.08 0.00 0.48 0.00 0.00 55.95 56.85 2ed9 s SER 15 Cb -0.17 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.46 2ed9 s SER 15 CO 0.06 -0.10 0.59 0.28 0.98 0.00 0.00 173.24 175.04 2ed9 s THR 16 N -0.01 2.74 -0.03 2.02 -1.32 -1.26 -5.13 115.64 112.65 2ed9 s THR 16 Ca 0.05 -1.05 0.05 0.00 -1.21 0.00 0.00 61.69 59.53 2ed9 s THR 16 Cb -0.04 -2.79 -0.01 0.00 -1.51 0.00 0.00 72.50 68.15 2ed9 s THR 16 CO -0.10 0.00 -0.17 -1.81 -2.21 0.00 0.00 174.62 170.33 2ed9 s ASP 17 N -4.39 2.14 -0.38 8.08 1.01 -1.26 -5.10 116.67 116.77 2ed9 s ASP 17 Ca 0.55 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.48 2ed9 s ASP 17 Cb -0.08 -0.47 0.12 0.00 1.01 0.00 0.00 42.92 43.50 2ed9 s ASP 17 CO 0.33 0.18 0.17 -0.62 0.21 0.00 0.00 175.17 175.44 2ed9 s ASP 18 N -0.13 3.84 0.02 0.27 -1.08 -1.26 -5.10 116.67 113.23 2ed9 s ASP 18 Ca 0.00 -2.19 0.00 0.00 -0.52 0.00 0.00 52.55 49.84 2ed9 s ASP 18 Cb -0.10 -0.98 -0.02 0.00 -1.46 0.00 0.00 42.92 40.37 2ed9 s ASP 18 CO 0.01 -0.33 -0.04 0.27 0.52 0.00 0.00 175.17 175.60 2ed9 s ILE 19 N 0.91 0.18 -0.01 4.11 -4.36 -1.26 -5.16 121.20 115.61 2ed9 s ILE 19 Ca 0.14 -0.83 -0.23 0.00 -0.26 0.00 0.00 60.65 59.48 2ed9 s ILE 19 Cb -0.21 -0.30 0.05 0.00 1.25 0.00 0.00 42.46 43.25 2ed9 s ILE 19 CO -0.10 -0.41 0.50 0.28 0.24 0.00 0.00 174.94 175.45 2ed9 s THR 20 N -1.26 0.03 -0.28 8.37 -1.32 -1.26 -5.14 115.64 114.78 2ed9 s THR 20 Ca -0.13 -0.26 -0.01 0.00 -1.21 0.00 0.00 61.69 60.09 2ed9 s THR 20 Cb -0.09 -0.86 0.09 0.00 -1.51 0.00 0.00 72.50 70.13 2ed9 s THR 20 CO -0.01 -0.14 0.06 -0.69 -2.21 0.00 0.00 174.62 171.64 2ed9 s VAL 21 N -1.63 0.98 -0.59 5.08 1.01 -1.26 -5.00 120.40 118.99 2ed9 s VAL 21 Ca -0.10 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 60.60 2ed9 s VAL 21 Cb -0.02 -1.63 0.43 0.00 0.00 0.00 0.00 36.38 35.17 2ed9 s VAL 21 CO 0.04 -0.52 1.76 1.33 0.00 0.00 0.00 175.10 177.72 2ed9 n VAL 22 N 4.83 3.27 -4.18 2.92 0.24 -1.26 -4.98 118.33 119.17 2ed9 n VAL 22 Ca -0.04 -3.60 -0.11 0.00 -2.04 0.00 0.00 64.34 58.54 2ed9 n VAL 22 Cb 0.43 -1.18 -0.10 0.00 -1.47 0.00 0.00 33.84 31.53 2ed9 n VAL 22 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2ed9 s THR 23 N -4.86 0.61 -0.42 3.34 2.01 -1.26 -5.12 115.64 109.93 2ed9 s THR 23 Ca 0.58 -1.94 -0.19 0.00 0.31 0.00 0.00 61.69 60.45 2ed9 s THR 23 Cb 0.47 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 71.17 2ed9 s THR 23 CO -0.07 -0.73 0.55 -0.76 -0.69 0.00 0.00 174.62 172.91 2ed9 s LEU 24 N -3.07 4.62 0.51 4.42 1.43 -1.26 -5.04 118.68 120.28 2ed9 s LEU 24 Ca 0.16 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2ed9 s LEU 24 Cb 0.06 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 2ed9 s LEU 24 CO -0.02 -0.67 0.00 -0.44 0.23 0.00 0.00 176.35 175.46 2ed9 s SER 25 N 1.90 4.12 -0.10 2.29 0.01 -1.26 -5.07 113.70 115.58 2ed9 s SER 25 Ca 0.18 -1.65 0.10 0.00 1.31 0.00 0.00 55.95 55.88 2ed9 s SER 25 Cb -0.15 0.52 -0.13 0.00 0.21 0.00 0.00 66.02 66.46 2ed9 s SER 25 CO 0.16 -0.85 0.05 -0.90 0.41 0.00 0.00 173.24 172.11 2ed9 n ASP 26 N -1.26 2.36 -3.68 2.44 5.68 -1.26 -5.04 116.55 115.78 2ed9 n ASP 26 Ca -0.19 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.76 2ed9 n ASP 26 Cb 0.67 0.80 0.02 0.00 -1.14 0.00 0.00 41.12 41.47 2ed9 n ASP 26 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2ed9 n VAL 27 N -2.37 0.00 -2.25 2.12 0.24 -1.26 -4.81 118.33 110.00 2ed9 n VAL 27 Ca -0.17 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.28 2ed9 n VAL 27 Cb 0.82 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 2ed9 n VAL 27 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2ed9 s PRO 28 N -1.37 4.45 -0.45 7.34 0.04 -1.26 -4.95 135.00 138.80 2ed9 s PRO 28 Ca 0.43 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.56 2ed9 s PRO 28 Cb -0.30 -3.14 0.44 0.00 0.04 0.00 0.00 34.50 31.54 2ed9 s PRO 28 CO 0.67 -0.09 1.41 0.43 0.04 0.00 0.00 177.00 179.46 2ed9 n SER 29 N 1.38 5.63 -3.71 6.66 7.64 -1.26 -3.49 113.62 126.48 2ed9 n SER 29 Ca 0.01 -3.76 -0.11 0.00 1.01 0.00 0.00 58.87 56.02 2ed9 n SER 29 Cb 0.43 -0.56 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 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 -3.67 -1.08 0.96 -0.43 0.00 -1.26 -4.89 121.76 111.38 2ed9 s ALA 30 Ca 0.53 1.42 -0.12 0.00 0.00 0.00 0.00 51.96 53.79 2ed9 s ALA 30 Cb 0.43 -0.85 0.16 0.00 0.00 0.00 0.00 23.12 22.86 2ed9 s ALA 30 CO -0.07 -0.24 1.09 -1.25 0.00 0.00 0.00 175.76 175.29 2ed9 s PRO 31 N 0.91 0.77 1.16 0.00 0.04 -1.25 -4.64 135.00 131.99 2ed9 s PRO 31 Ca -0.06 0.64 -0.18 0.00 0.04 0.00 0.00 61.00 61.45 2ed9 s PRO 31 Cb -0.06 -1.77 0.27 0.00 0.04 0.00 0.00 34.50 32.98 2ed9 s PRO 31 CO -0.07 -2.53 1.11 -1.25 0.04 0.00 0.00 177.00 174.29 2ed9 s PRO 32 N -4.95 -0.88 0.37 0.56 0.04 -1.26 -4.69 135.00 124.18 2ed9 s PRO 32 Ca 0.65 0.06 0.08 0.00 0.04 0.00 0.00 61.00 61.82 2ed9 s PRO 32 Cb -0.18 -1.62 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 2ed9 s PRO 32 CO 0.57 -3.51 0.12 -0.65 0.04 0.00 0.00 177.00 173.57 2ed9 s GLN 33 N -5.31 2.21 -1.41 4.56 -0.21 -0.68 -4.72 119.66 114.11 2ed9 s GLN 33 Ca 0.70 -1.74 -0.04 0.00 0.02 0.00 0.00 55.36 54.30 2ed9 s GLN 33 Cb -0.12 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.89 2ed9 s GLN 33 CO 0.56 0.02 0.36 0.09 -2.12 0.00 0.00 175.29 174.20 2ed9 n ASN 34 N -1.13 -0.60 -4.43 5.90 4.13 -1.26 -1.44 115.26 116.43 2ed9 n ASN 34 Ca -0.03 -1.09 -0.44 0.00 1.68 0.00 0.00 54.58 54.70 2ed9 n ASN 34 Cb 0.63 -2.65 -0.02 0.00 -1.54 0.00 0.00 39.78 36.20 2ed9 n ASN 34 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2ed9 s VAL 35 N -4.00 4.95 0.24 2.41 1.01 -1.26 -4.28 120.40 119.47 2ed9 s VAL 35 Ca 0.07 -1.98 0.06 0.00 0.00 0.00 0.00 61.98 60.12 2ed9 s VAL 35 Cb -0.03 -4.76 -0.05 0.00 0.00 0.00 0.00 36.38 31.53 2ed9 s VAL 35 CO 0.92 -1.46 -0.06 -0.44 0.00 0.00 0.00 175.10 174.06 2ed9 s SER 36 N 3.20 2.35 -0.16 3.32 0.01 -1.26 -5.05 113.70 116.11 2ed9 s SER 36 Ca 0.33 -1.16 0.02 0.00 1.31 0.00 0.00 55.95 56.45 2ed9 s SER 36 Cb -0.05 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.10 2ed9 s SER 36 CO -0.07 -0.37 -0.21 -0.76 0.41 0.00 0.00 173.24 172.24 2ed9 s LEU 37 N -3.35 2.08 -0.14 2.44 1.43 -1.26 -4.32 118.68 115.56 2ed9 s LEU 37 Ca 0.27 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 2ed9 s LEU 37 Cb 0.04 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2ed9 s LEU 37 CO 0.09 0.04 0.04 -0.70 0.23 0.00 0.00 176.35 176.05 2ed9 s GLU 38 N 1.05 3.55 -0.56 1.70 2.56 -1.17 -5.07 118.70 120.76 2ed9 s GLU 38 Ca -0.02 -0.36 -0.18 0.00 0.00 0.00 0.00 54.97 54.41 2ed9 s GLU 38 Cb -0.14 -3.04 0.09 0.00 2.00 0.00 0.00 34.13 33.05 2ed9 s GLU 38 CO -0.07 0.48 0.64 0.08 -0.56 0.00 0.00 175.26 175.82 2ed9 s VAL 39 N -0.22 4.91 -0.13 3.70 1.01 -1.26 -2.85 120.40 125.56 2ed9 s VAL 39 Ca 0.07 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 2ed9 s VAL 39 Cb -0.12 -4.40 -0.26 0.00 0.00 0.00 0.00 36.38 31.60 2ed9 s VAL 39 CO 0.02 -0.98 0.68 0.58 0.00 0.00 0.00 175.10 175.39 2ed9 h VAL 40 N 5.89 1.49 -3.50 2.92 2.07 -1.94 -3.50 116.25 119.69 2ed9 h VAL 40 Ca -0.29 -2.37 -0.24 0.00 0.82 0.00 0.00 66.70 64.63 2ed9 h VAL 40 Cb 1.09 3.07 -0.06 0.00 -1.52 0.00 0.00 31.29 33.87 2ed9 h VAL 40 CO 1.05 0.60 -0.19 0.59 0.02 0.00 0.00 177.57 179.63 2ed9 n ASN 41 N -4.39 -0.62 0.16 0.57 3.02 -1.15 -4.99 115.26 107.87 2ed9 n ASN 41 Ca -0.16 -2.25 0.12 0.00 -0.03 0.00 0.00 54.58 52.25 2ed9 n ASN 41 Cb 0.64 1.26 0.17 0.00 -0.61 0.00 0.00 39.78 41.25 2ed9 n ASN 41 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2ed9 h SER 42 N 1.23 0.00 0.00 6.41 4.64 -1.86 -3.33 113.55 120.63 2ed9 h SER 42 Ca -0.15 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2ed9 h SER 42 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2ed9 h SER 42 CO 0.22 0.01 -0.46 -2.11 -0.87 0.00 0.00 176.83 173.62 2ed9 n ARG 43 N -2.76 4.00 -4.31 4.77 1.85 -1.26 -4.06 116.66 114.90 2ed9 n ARG 43 Ca 0.03 -0.01 -0.23 0.00 -1.00 0.00 0.00 57.85 56.64 2ed9 n ARG 43 Cb 0.51 -0.76 -0.08 0.00 -1.05 0.00 0.00 32.46 31.09 2ed9 n ARG 43 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2ed9 s SER 44 N -1.56 4.46 -0.17 2.89 0.01 -1.25 -1.15 113.70 116.93 2ed9 s SER 44 Ca 0.00 -0.67 -0.24 0.00 1.31 0.00 0.00 55.95 56.35 2ed9 s SER 44 Cb 0.01 -0.80 0.06 0.00 0.21 0.00 0.00 66.02 65.50 2ed9 s SER 44 CO 0.07 0.01 0.62 -0.63 0.41 0.00 0.00 173.24 173.73 2ed9 s ILE 45 N -2.30 0.00 -0.18 1.44 1.01 -0.50 -2.91 121.20 117.77 2ed9 s ILE 45 Ca 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.88 2ed9 s ILE 45 Cb -0.06 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2ed9 s ILE 45 CO 0.19 -0.02 -0.04 -0.75 0.00 0.00 0.00 174.94 174.32 2ed9 s LYS 46 N -0.23 3.55 -0.18 2.79 2.47 -1.13 -1.57 119.74 125.44 2ed9 s LYS 46 Ca -0.04 -0.57 0.01 0.00 -1.56 0.00 0.00 55.97 53.81 2ed9 s LYS 46 Cb -0.03 -2.95 0.03 0.00 -1.46 0.00 0.00 37.83 33.42 2ed9 s LYS 46 CO 0.04 0.07 -0.14 0.08 0.16 0.00 0.00 175.35 175.56 2ed9 s VAL 47 N 0.80 1.75 0.48 4.02 1.01 -1.24 -3.05 120.40 124.18 2ed9 s VAL 47 Ca -0.01 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2ed9 s VAL 47 Cb -0.15 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2ed9 s VAL 47 CO 0.02 0.37 0.03 -0.94 0.00 0.00 0.00 175.10 174.58 2ed9 s SER 48 N 1.39 3.84 0.01 3.32 1.04 -1.26 -1.74 113.70 120.30 2ed9 s SER 48 Ca 0.02 -1.64 -0.29 0.00 0.48 0.00 0.00 55.95 54.52 2ed9 s SER 48 Cb -0.14 0.47 0.11 0.00 0.10 0.00 0.00 66.02 66.55 2ed9 s SER 48 CO -0.10 -0.85 1.24 -1.66 0.98 0.00 0.00 173.24 172.85 2ed9 s TRP 49 N -2.94 -0.04 0.08 5.02 -2.14 -1.18 -4.48 118.94 113.26 2ed9 s TRP 49 Ca 0.11 -0.11 0.03 0.00 2.66 0.00 0.00 56.10 58.79 2ed9 s TRP 49 Cb 0.02 0.57 -0.03 0.00 -3.10 0.00 0.00 33.47 30.93 2ed9 s TRP 49 CO 0.06 -0.37 -0.09 -0.51 -2.66 0.00 0.00 176.95 173.38 2ed9 s LEU 50 N -3.10 2.37 0.70 -4.66 1.43 -0.52 -4.92 118.68 109.97 2ed9 s LEU 50 Ca 0.16 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 2ed9 s LEU 50 Cb 0.03 -0.23 0.02 0.00 0.03 0.00 0.00 46.19 46.05 2ed9 s LEU 50 CO -0.02 -0.27 1.10 -2.16 0.23 0.00 0.00 176.35 175.23 2ed9 s PRO 51 N -2.52 2.61 1.01 1.29 0.04 -1.26 -1.68 135.00 134.49 2ed9 s PRO 51 Ca 0.01 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.24 2ed9 s PRO 51 Cb -0.04 -1.93 0.20 0.00 0.04 0.00 0.00 34.50 32.76 2ed9 s PRO 51 CO -0.01 -1.39 1.09 -1.25 0.04 0.00 0.00 177.00 175.49 2ed9 s PRO 52 N -4.37 0.30 0.55 0.56 0.04 -1.26 -4.42 135.00 126.40 2ed9 s PRO 52 Ca 0.65 0.48 -0.19 0.00 0.04 0.00 0.00 61.00 61.97 2ed9 s PRO 52 Cb -0.19 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2ed9 s PRO 52 CO 0.46 -2.81 1.13 -1.25 0.04 0.00 0.00 177.00 174.58 2ed9 s PRO 53 N -4.97 3.32 0.38 0.56 0.04 -1.26 -4.79 135.00 128.29 2ed9 s PRO 53 Ca 0.66 1.60 0.22 0.00 0.04 0.00 0.00 61.00 63.52 2ed9 s PRO 53 Cb -0.19 -2.00 1.20 0.00 0.04 0.00 0.00 34.50 33.56 2ed9 s PRO 53 CO 0.58 -0.87 1.65 0.66 0.04 0.00 0.00 177.00 179.06 2ed9 h SER 54 N 1.13 0.00 0.44 6.66 4.64 -1.95 0.13 113.55 124.60 2ed9 h SER 54 Ca -0.50 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.60 2ed9 h SER 54 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2ed9 h SER 54 CO 0.57 0.00 -0.94 1.23 -0.87 0.00 0.00 176.83 176.82 2ed9 h GLY 55 N 0.00 0.37 0.28 -0.77 0.00 -2.04 -3.30 103.07 97.61 2ed9 h GLY 55 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2ed9 h GLY 55 CO 0.00 0.58 -1.70 -1.30 0.00 0.00 0.00 176.54 174.12 2ed9 n THR 56 N -3.70 0.17 -2.13 4.70 -2.24 -0.15 -4.92 114.28 106.02 2ed9 n THR 56 Ca -0.06 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 2ed9 n THR 56 Cb 0.84 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 2ed9 n THR 56 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2ed9 s GLN 57 N -3.47 4.26 -0.01 -0.78 -0.21 -0.16 -4.58 119.66 114.71 2ed9 s GLN 57 Ca -0.06 2.09 0.00 0.00 0.02 0.00 0.00 55.36 57.41 2ed9 s GLN 57 Cb 0.13 -3.57 -0.01 0.00 1.00 0.00 0.00 33.01 30.56 2ed9 s GLN 57 CO 0.88 -0.62 0.00 -1.71 -2.12 0.00 0.00 175.29 171.72 2ed9 n ASN 58 N 5.39 4.86 -4.54 5.90 5.15 -1.26 -4.92 115.26 125.84 2ed9 n ASN 58 Ca 0.14 -0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.81 2ed9 n ASN 58 Cb 0.43 0.51 -0.07 0.00 -0.53 0.00 0.00 39.78 40.11 2ed9 n ASN 58 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2ed9 s GLY 59 N -3.08 2.97 -0.16 8.20 0.00 -1.26 -5.02 107.32 108.97 2ed9 s GLY 59 Ca -0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 44.72 43.99 2ed9 s GLY 59 CO 0.02 -2.09 0.87 -0.12 0.00 0.00 0.00 173.10 171.78 2ed9 s PHE 60 N -2.99 3.43 -0.04 1.90 5.36 -1.26 -4.67 117.98 119.72 2ed9 s PHE 60 Ca 0.09 1.33 -0.30 0.00 -0.96 0.00 0.00 56.93 57.09 2ed9 s PHE 60 Cb 0.01 -3.06 -0.07 0.00 -0.34 0.00 0.00 43.02 39.56 2ed9 s PHE 60 CO 0.06 -0.25 1.86 0.42 -1.46 0.00 0.00 175.22 175.85 2ed9 s ILE 61 N 2.17 3.25 -0.25 3.12 -1.09 -1.26 -1.81 121.20 125.34 2ed9 s ILE 61 Ca 0.40 0.30 -0.06 0.00 -2.23 0.00 0.00 60.65 59.06 2ed9 s ILE 61 Cb -0.17 -3.21 -0.13 0.00 -1.58 0.00 0.00 42.46 37.37 2ed9 s ILE 61 CO 0.13 -0.04 -0.27 0.35 -1.23 0.00 0.00 174.94 173.87 2ed9 n THR 62 N 5.79 1.37 -3.13 2.92 -2.24 -1.03 -4.99 114.28 112.97 2ed9 n THR 62 Ca 0.20 -0.42 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 2ed9 n THR 62 Cb 0.42 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 2ed9 n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ed9 n GLY 63 N 1.84 1.82 2.79 3.38 0.00 -1.26 -4.83 105.19 108.93 2ed9 n GLY 63 Ca -0.46 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 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 -7.88 0.25 -0.07 1.61 1.51 -1.26 -2.42 117.35 109.09 2ed9 s TYR 64 Ca 0.02 0.04 -0.30 0.00 -1.01 0.00 0.00 57.07 55.83 2ed9 s TYR 64 Cb -0.01 -0.41 -0.03 0.00 -0.11 0.00 0.00 41.96 41.41 2ed9 s TYR 64 CO 0.02 -0.14 1.11 0.21 -1.11 0.00 0.00 175.55 175.63 2ed9 s LYS 65 N 1.22 4.40 -0.29 -0.62 2.20 -0.81 -4.41 119.74 121.43 2ed9 s LYS 65 Ca -0.07 1.55 0.02 0.00 -0.36 0.00 0.00 55.97 57.11 2ed9 s LYS 65 Cb -0.13 -3.53 0.07 0.00 -1.51 0.00 0.00 37.83 32.73 2ed9 s LYS 65 CO -0.02 -0.36 -0.04 0.42 -0.36 0.00 0.00 175.35 174.99 2ed9 s ILE 66 N 2.00 2.39 -0.22 5.43 1.01 -1.25 -2.03 121.20 128.52 2ed9 s ILE 66 Ca 0.53 -1.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.28 2ed9 s ILE 66 Cb -0.22 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 2ed9 s ILE 66 CO 0.21 -0.21 0.16 -0.13 0.00 0.00 0.00 174.94 174.97 2ed9 s ARG 67 N 1.08 4.14 0.21 2.79 1.81 -1.25 -2.46 118.95 125.26 2ed9 s ARG 67 Ca -0.03 -0.21 0.11 0.00 -1.72 0.00 0.00 55.73 53.88 2ed9 s ARG 67 Cb -0.20 -3.48 -0.05 0.00 -0.45 0.00 0.00 34.95 30.78 2ed9 s ARG 67 CO -0.05 0.17 -0.22 -3.38 -0.68 0.00 0.00 175.30 171.15 2ed9 s HIS 68 N 0.72 2.18 -0.05 -0.53 -3.43 -0.90 -3.16 115.29 110.12 2ed9 s HIS 68 Ca 0.09 -0.38 -0.22 0.00 -0.80 0.00 0.00 55.06 53.74 2ed9 s HIS 68 Cb -0.12 -1.05 0.05 0.00 -1.43 0.00 0.00 32.58 30.03 2ed9 s HIS 68 CO 0.02 0.51 0.50 -0.98 -2.00 0.00 0.00 174.74 172.79 2ed9 s ARG 69 N -2.92 0.84 -0.09 -0.38 1.70 -1.22 -2.63 118.95 114.25 2ed9 s ARG 69 Ca 0.22 0.12 0.02 0.00 -0.47 0.00 0.00 55.73 55.61 2ed9 s ARG 69 Cb -0.07 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 2ed9 s ARG 69 CO 0.10 -0.24 -0.13 0.21 -1.08 0.00 0.00 175.30 174.17 2ed9 s LYS 70 N -1.08 2.96 0.03 3.89 2.36 -0.84 -3.23 119.74 123.83 2ed9 s LYS 70 Ca -0.11 -0.68 -0.06 0.00 -2.55 0.00 0.00 55.97 52.57 2ed9 s LYS 70 Cb -0.03 -2.52 -0.02 0.00 -1.05 0.00 0.00 37.83 34.21 2ed9 s LYS 70 CO 0.06 0.42 1.11 1.79 1.55 0.00 0.00 175.35 180.28 2ed9 h THR 71 N 4.86 0.00 -0.22 3.43 1.35 -1.91 -1.47 112.91 118.95 2ed9 h THR 71 Ca -0.36 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.55 2ed9 h THR 71 Cb 1.18 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.53 2ed9 h THR 71 CO 0.53 0.00 -0.38 0.74 -0.25 0.00 0.00 175.52 176.16 2ed9 h THR 72 N -0.06 0.18 -3.75 6.82 2.02 -1.86 -3.36 112.91 112.91 2ed9 h THR 72 Ca 0.02 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.54 2ed9 h THR 72 Cb 0.11 0.18 -0.39 0.00 -1.74 0.00 0.00 68.15 66.31 2ed9 h THR 72 CO -0.14 0.00 -0.75 0.00 0.37 0.00 0.00 175.52 175.00 2ed9 s ARG 73 N -5.92 1.77 0.25 6.66 1.70 -0.89 -4.99 118.95 117.53 2ed9 s ARG 73 Ca -0.15 -1.63 0.08 0.00 -0.47 0.00 0.00 55.73 53.56 2ed9 s ARG 73 Cb 0.11 -3.05 0.76 0.00 -0.57 0.00 0.00 34.95 32.20 2ed9 s ARG 73 CO 0.65 -0.79 1.14 2.89 -1.08 0.00 0.00 175.30 178.12 2ed9 n ARG 74 N 4.34 -0.05 -3.56 3.89 1.85 -0.60 -2.56 116.66 119.97 2ed9 n ARG 74 Ca -0.04 1.04 -0.29 0.00 -1.00 0.00 0.00 57.85 57.57 2ed9 n ARG 74 Cb 0.42 -1.76 -0.05 0.00 -1.05 0.00 0.00 32.46 30.02 2ed9 n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ed9 n GLY 75 N -1.28 -0.27 3.66 2.89 0.00 -1.26 -1.99 105.19 106.95 2ed9 n GLY 75 Ca 0.22 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 2ed9 n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ed9 s GLU 76 N -5.22 4.15 0.24 1.61 2.12 -1.25 -4.52 118.70 115.83 2ed9 s GLU 76 Ca 0.56 2.50 -0.12 0.00 0.36 0.00 0.00 54.97 58.26 2ed9 s GLU 76 Cb -0.32 -4.07 -0.01 0.00 0.26 0.00 0.00 34.13 29.98 2ed9 s GLU 76 CO 0.69 -0.92 0.45 0.00 -0.54 0.00 0.00 175.26 174.95 2ed9 s MET 77 N 4.22 1.52 0.11 4.30 0.23 -1.08 -5.00 119.30 123.61 2ed9 s MET 77 Ca 0.84 -1.28 0.07 0.00 -1.03 0.00 0.00 55.69 54.29 2ed9 s MET 77 Cb -0.40 0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 33.32 2ed9 s MET 77 CO 0.38 -0.62 -0.17 -1.83 -2.03 0.00 0.00 175.02 170.75 2ed9 s GLU 78 N -4.03 1.06 -0.22 3.16 4.04 -1.26 -2.11 118.70 119.33 2ed9 s GLU 78 Ca 0.24 -1.19 -0.04 0.00 0.04 0.00 0.00 54.97 54.01 2ed9 s GLU 78 Cb -0.00 -1.10 0.11 0.00 0.02 0.00 0.00 34.13 33.17 2ed9 s GLU 78 CO 0.09 0.23 0.38 0.99 -1.84 0.00 0.00 175.26 175.12 2ed9 s THR 79 N -1.69 -0.61 0.05 1.83 2.01 -1.03 -4.99 115.64 111.21 2ed9 s THR 79 Ca 0.07 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 2ed9 s THR 79 Cb -0.07 -0.74 -0.06 0.00 0.01 0.00 0.00 72.50 71.64 2ed9 s THR 79 CO 0.04 -0.04 0.52 -0.76 -0.69 0.00 0.00 174.62 173.69 2ed9 s LEU 80 N 2.56 4.51 -0.29 4.42 1.43 -1.26 -3.83 118.68 126.22 2ed9 s LEU 80 Ca 0.07 1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 54.33 2ed9 s LEU 80 Cb -0.14 -2.81 0.09 0.00 0.03 0.00 0.00 46.19 43.37 2ed9 s LEU 80 CO -0.14 0.29 0.10 -0.70 0.23 0.00 0.00 176.35 176.12 2ed9 s GLU 81 N -1.11 0.58 0.16 1.70 2.12 -1.26 -5.00 118.70 115.89 2ed9 s GLU 81 Ca 0.27 -0.85 -0.09 0.00 0.36 0.00 0.00 54.97 54.67 2ed9 s GLU 81 Cb -0.19 -1.80 0.01 0.00 0.26 0.00 0.00 34.13 32.42 2ed9 s GLU 81 CO 0.17 -0.95 1.50 -1.00 -0.54 0.00 0.00 175.26 174.45 2ed9 h PRO 82 N 8.19 0.87 0.00 4.30 0.13 -1.96 -3.34 132.00 140.18 2ed9 h PRO 82 Ca -0.16 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2ed9 h PRO 82 Cb 1.03 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2ed9 h PRO 82 CO 0.45 1.10 0.00 0.09 -0.23 0.00 0.00 178.00 179.40 2ed9 n ASN 83 N -4.05 0.00 -3.95 1.44 5.03 -1.26 -4.73 115.26 107.74 2ed9 n ASN 83 Ca -0.02 0.70 -0.22 0.00 0.87 0.00 0.00 54.58 55.91 2ed9 n ASN 83 Cb 0.54 -0.34 -0.09 0.00 -1.02 0.00 0.00 39.78 38.88 2ed9 n ASN 83 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2ed9 s ASN 84 N -2.95 2.12 -0.20 6.41 -0.87 -1.25 -5.03 114.94 113.16 2ed9 s ASN 84 Ca 0.00 -1.64 0.01 0.00 -1.57 0.00 0.00 52.86 49.67 2ed9 s ASN 84 Cb 0.00 0.45 0.27 0.00 -0.02 0.00 0.00 41.25 41.96 2ed9 s ASN 84 CO 0.00 -0.93 1.46 0.18 -2.57 0.00 0.00 177.10 175.24 2ed9 n LEU 85 N -0.73 4.78 -3.78 0.60 4.77 -1.26 -4.80 117.00 116.57 2ed9 n LEU 85 Ca -0.01 -2.48 -0.13 0.00 -0.03 0.00 0.00 56.01 53.36 2ed9 n LEU 85 Cb 0.64 -0.69 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2ed9 n LEU 85 CO 0.35 0.78 -0.01 -1.66 -1.33 0.00 0.00 177.39 175.52 2ed9 s TRP 86 N -1.42 -0.13 -0.18 -1.77 1.48 -1.26 -3.07 118.94 112.60 2ed9 s TRP 86 Ca 0.24 0.15 -0.03 0.00 -1.06 0.00 0.00 56.10 55.40 2ed9 s TRP 86 Cb 0.20 0.07 0.06 0.00 -1.16 0.00 0.00 33.47 32.64 2ed9 s TRP 86 CO 0.04 -0.39 0.05 -0.47 -4.06 0.00 0.00 176.95 172.12 2ed9 s TYR 87 N -1.51 0.78 -0.15 1.66 6.14 -0.71 -4.99 117.35 118.57 2ed9 s TYR 87 Ca -0.13 -0.65 -0.26 0.00 0.64 0.00 0.00 57.07 56.67 2ed9 s TYR 87 Cb -0.05 -0.92 -0.02 0.00 0.42 0.00 0.00 41.96 41.40 2ed9 s TYR 87 CO 0.03 -0.56 0.85 -1.17 0.64 0.00 0.00 175.55 175.34 2ed9 s LEU 88 N 1.94 4.19 0.12 6.97 2.96 -1.26 -3.58 118.68 130.01 2ed9 s LEU 88 Ca 0.00 1.23 0.03 0.00 -0.22 0.00 0.00 54.13 55.17 2ed9 s LEU 88 Cb -0.16 -3.28 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 2ed9 s LEU 88 CO -0.08 -0.39 0.16 -0.36 -1.32 0.00 0.00 176.35 174.36 2ed9 s PHE 89 N 2.07 3.29 0.08 5.38 0.08 -0.61 -4.96 117.98 123.32 2ed9 s PHE 89 Ca 0.40 0.08 -0.11 0.00 0.12 0.00 0.00 56.93 57.42 2ed9 s PHE 89 Cb -0.17 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2ed9 s PHE 89 CO 0.13 0.53 0.24 0.95 -0.10 0.00 0.00 175.22 176.98 2ed9 s THR 90 N -1.60 0.12 0.00 0.64 -4.23 -1.25 -1.41 115.64 107.90 2ed9 s THR 90 Ca 0.32 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2ed9 s THR 90 Cb -0.11 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.56 2ed9 s THR 90 CO 0.25 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 2ed9 n GLY 91 N 0.16 0.50 3.56 3.99 0.00 -0.30 -4.96 105.19 108.14 2ed9 n GLY 91 Ca -0.16 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.49 2.96 -0.06 0.99 1.43 -1.01 -5.06 118.68 116.44 2ed9 s LEU 92 Ca 0.00 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 2ed9 s LEU 92 Cb 0.00 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2ed9 s LEU 92 CO 0.00 0.14 1.12 -1.61 0.23 0.00 0.00 176.35 176.23 2ed9 s GLU 93 N -2.55 4.39 0.23 1.70 8.01 -1.26 -4.28 118.70 124.94 2ed9 s GLU 93 Ca 0.23 1.57 -0.30 0.00 0.01 0.00 0.00 54.97 56.47 2ed9 s GLU 93 Cb -0.10 -3.53 -0.10 0.00 -4.31 0.00 0.00 34.13 26.09 2ed9 s GLU 93 CO 0.14 -0.37 1.49 -1.59 0.01 0.00 0.00 175.26 174.94 2ed9 s LYS 94 N 2.01 4.24 0.00 1.61 -2.85 -1.26 -3.45 119.74 120.04 2ed9 s LYS 94 Ca 0.53 2.35 0.00 0.00 -1.00 0.00 0.00 55.97 57.85 2ed9 s LYS 94 Cb -0.23 -3.11 0.00 0.00 -2.06 0.00 0.00 37.83 32.43 2ed9 s LYS 94 CO 0.21 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 175.57 2ed9 n GLY 95 N 2.66 0.55 3.07 0.59 0.00 -1.22 -4.83 105.19 106.01 2ed9 n GLY 95 Ca 0.09 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.96 0.31 0.01 1.61 0.01 -1.22 -4.93 113.70 106.53 2ed9 s SER 96 Ca 0.00 -0.70 -0.15 0.00 1.31 0.00 0.00 55.95 56.41 2ed9 s SER 96 Cb 0.00 0.18 -0.06 0.00 0.21 0.00 0.00 66.02 66.35 2ed9 s SER 96 CO 0.00 -0.48 0.43 -1.58 0.41 0.00 0.00 173.24 172.01 2ed9 s GLN 97 N -2.77 3.95 0.03 12.44 0.74 -1.26 -3.25 119.66 129.55 2ed9 s GLN 97 Ca -0.04 0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.83 2ed9 s GLN 97 Cb -0.00 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 2ed9 s GLN 97 CO -0.06 0.69 -0.04 0.71 -0.55 0.00 0.00 175.29 176.04 2ed9 s TYR 98 N -1.08 0.42 0.06 1.67 2.02 -0.81 -3.90 117.35 115.72 2ed9 s TYR 98 Ca 0.24 -0.65 0.08 0.00 -0.37 0.00 0.00 57.07 56.37 2ed9 s TYR 98 Cb -0.17 -0.28 -0.03 0.00 -0.40 0.00 0.00 41.96 41.08 2ed9 s TYR 98 CO 0.14 -0.21 -0.21 -1.12 -1.57 0.00 0.00 175.55 172.59 2ed9 s SER 99 N -1.85 2.52 0.03 2.29 0.01 -1.20 -0.32 113.70 115.17 2ed9 s SER 99 Ca -0.09 -0.56 -0.09 0.00 1.31 0.00 0.00 55.95 56.52 2ed9 s SER 99 Cb -0.06 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2ed9 s SER 99 CO -0.03 0.14 0.17 -0.36 0.41 0.00 0.00 173.24 173.58 2ed9 s PHE 100 N -0.88 0.06 0.18 2.43 0.40 -0.14 -3.43 117.98 116.61 2ed9 s PHE 100 Ca 0.07 -0.23 -0.08 0.00 -0.60 0.00 0.00 56.93 56.09 2ed9 s PHE 100 Cb -0.09 -0.04 -0.01 0.00 0.51 0.00 0.00 43.02 43.38 2ed9 s PHE 100 CO 0.02 -0.38 0.29 1.14 0.70 0.00 0.00 175.22 176.99 2ed9 s GLN 101 N -2.16 1.23 -0.03 0.44 -2.07 -1.19 -2.23 119.66 113.65 2ed9 s GLN 101 Ca -0.08 -1.27 -0.01 0.00 -1.82 0.00 0.00 55.36 52.17 2ed9 s GLN 101 Cb -0.03 0.37 0.02 0.00 -1.09 0.00 0.00 33.01 32.28 2ed9 s GLN 101 CO -0.02 -0.45 0.06 0.08 -1.32 0.00 0.00 175.29 173.64 2ed9 s VAL 102 N -4.01 -0.03 -0.03 3.63 1.01 -1.26 -3.90 120.40 115.81 2ed9 s VAL 102 Ca 0.22 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.34 2ed9 s VAL 102 Cb 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 2ed9 s VAL 102 CO 0.04 0.05 -0.12 -0.55 0.00 0.00 0.00 175.10 174.51 2ed9 s SER 103 N 0.63 1.52 -0.06 3.32 0.15 -0.86 -1.05 113.70 117.36 2ed9 s SER 103 Ca -0.05 -0.24 -0.25 0.00 0.70 0.00 0.00 55.95 56.11 2ed9 s SER 103 Cb -0.07 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.84 2ed9 s SER 103 CO -0.02 0.11 0.75 0.00 1.20 0.00 0.00 173.24 175.28 2ed9 s ALA 104 N 0.05 3.31 -0.05 5.45 0.00 -1.26 -1.91 121.76 127.34 2ed9 s ALA 104 Ca -0.02 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.20 2ed9 s ALA 104 Cb -0.09 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 2ed9 s ALA 104 CO 0.01 -0.13 -0.21 -1.64 0.00 0.00 0.00 175.76 173.78 2ed9 s MET 105 N 0.86 2.50 0.47 0.00 -1.94 -1.02 -2.53 119.30 117.64 2ed9 s MET 105 Ca 0.40 -0.83 0.04 0.00 -1.71 0.00 0.00 55.69 53.58 2ed9 s MET 105 Cb -0.18 -2.23 -0.04 0.00 2.01 0.00 0.00 34.83 34.38 2ed9 s MET 105 CO 0.20 0.48 0.01 0.95 -0.01 0.00 0.00 175.02 176.64 2ed9 s THR 106 N -0.39 1.52 0.62 2.05 -4.23 -0.16 -2.47 115.64 112.58 2ed9 s THR 106 Ca 0.03 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.84 2ed9 s THR 106 Cb -0.12 -2.53 0.35 0.00 1.34 0.00 0.00 72.50 71.55 2ed9 s THR 106 CO 0.02 0.00 1.99 1.62 -0.54 0.00 0.00 174.62 177.71 2ed9 h VAL 107 N 1.54 0.26 0.04 2.29 3.04 -1.63 -2.76 116.25 119.04 2ed9 h VAL 107 Ca -0.44 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2ed9 h VAL 107 Cb 1.28 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2ed9 h VAL 107 CO 0.77 0.00 -0.02 0.78 -1.01 0.00 0.00 177.57 178.09 2ed9 h ASN 108 N 0.00 -0.04 0.00 3.17 2.35 -1.95 -3.49 115.58 115.62 2ed9 h ASN 108 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2ed9 h ASN 108 Cb 0.75 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2ed9 h ASN 108 CO -0.00 0.23 0.00 0.61 -1.65 0.00 0.00 177.43 176.62 2ed9 n GLY 109 N 1.66 2.74 3.15 2.83 0.00 -1.04 -4.97 105.19 109.55 2ed9 n GLY 109 Ca -0.01 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 2ed9 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ed9 s THR 110 N 0.50 1.56 0.00 2.61 2.01 -1.26 -0.99 115.64 120.06 2ed9 s THR 110 Ca 0.00 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2ed9 s THR 110 Cb 0.00 -1.34 0.00 0.00 0.01 0.00 0.00 72.50 71.17 2ed9 s THR 110 CO 0.00 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 2ed9 n GLY 111 N 3.20 0.73 3.70 4.40 0.00 -1.05 -4.73 105.19 111.45 2ed9 n GLY 111 Ca -0.18 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.97 4.30 0.76 1.61 0.04 -1.23 -4.80 135.00 134.73 2ed9 s PRO 112 Ca 0.00 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 2ed9 s PRO 112 Cb 0.00 -3.41 0.05 0.00 0.04 0.00 0.00 34.50 31.18 2ed9 s PRO 112 CO 0.00 -0.50 1.09 -1.25 0.04 0.00 0.00 177.00 176.38 2ed9 s PRO 113 N 1.73 2.30 0.84 0.56 0.04 -1.26 -3.92 135.00 135.29 2ed9 s PRO 113 Ca 0.65 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 2ed9 s PRO 113 Cb -0.34 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.39 2ed9 s PRO 113 CO 0.29 -1.62 1.14 -1.54 0.04 0.00 0.00 177.00 175.31 2ed9 s SER 114 N -3.31 4.14 0.94 6.66 1.04 -0.22 -4.84 113.70 118.11 2ed9 s SER 114 Ca 0.62 1.01 -0.11 0.00 0.48 0.00 0.00 55.95 57.94 2ed9 s SER 114 Cb -0.17 -1.61 0.12 0.00 0.10 0.00 0.00 66.02 64.46 2ed9 s SER 114 CO 0.55 -2.16 0.94 0.59 0.98 0.00 0.00 173.24 174.14 2ed9 n ASN 115 N -3.51 -0.39 -4.52 7.02 3.02 -1.26 -4.65 115.26 110.96 2ed9 n ASN 115 Ca 0.07 0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 54.57 2ed9 n ASN 115 Cb 0.59 -1.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.33 2ed9 n ASN 115 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2ed9 s TRP 116 N -2.56 2.72 -0.06 3.10 0.52 -1.26 -4.66 118.94 116.73 2ed9 s TRP 116 Ca 0.64 -1.01 -0.30 0.00 0.02 0.00 0.00 56.10 55.46 2ed9 s TRP 116 Cb -0.22 -4.56 -0.02 0.00 -1.15 0.00 0.00 33.47 27.51 2ed9 s TRP 116 CO 0.61 -1.79 1.00 0.71 0.02 0.00 0.00 176.95 177.49 2ed9 s TYR 117 N 4.25 3.57 -0.06 -1.98 1.51 -0.95 -4.88 117.35 118.81 2ed9 s TYR 117 Ca 0.41 1.63 -0.03 0.00 -1.01 0.00 0.00 57.07 58.08 2ed9 s TYR 117 Cb -0.02 -3.16 -0.04 0.00 -0.11 0.00 0.00 41.96 38.63 2ed9 s TYR 117 CO -0.09 -0.16 0.08 0.99 -1.11 0.00 0.00 175.55 175.26 2ed9 s THR 118 N 1.61 4.86 0.00 -0.71 2.01 -1.26 -0.96 115.64 121.19 2ed9 s THR 118 Ca 0.50 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.37 2ed9 s THR 118 Cb -0.19 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 2ed9 s THR 118 CO 0.22 0.50 -0.14 0.00 -0.69 0.00 0.00 174.62 174.51 2ed9 s ALA 119 N -1.06 1.13 -0.18 7.40 0.00 0.56 -4.99 121.76 124.61 2ed9 s ALA 119 Ca 0.18 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 2ed9 s ALA 119 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2ed9 s ALA 119 CO 0.08 0.26 -0.06 -1.21 0.00 0.00 0.00 175.76 174.83 2ed9 s GLU 120 N -0.54 3.47 0.20 0.00 2.02 -1.26 -1.93 118.70 120.66 2ed9 s GLU 120 Ca 0.04 -0.61 -0.24 0.00 0.02 0.00 0.00 54.97 54.18 2ed9 s GLU 120 Cb -0.06 -2.90 -0.08 0.00 0.10 0.00 0.00 34.13 31.19 2ed9 s GLU 120 CO -0.00 0.03 0.79 0.95 0.02 0.00 0.00 175.26 177.05 2ed9 s THR 121 N 0.88 4.38 -0.12 3.63 -4.23 -1.20 -5.01 115.64 113.97 2ed9 s THR 121 Ca -0.01 1.63 -0.29 0.00 -1.18 0.00 0.00 61.69 61.84 2ed9 s THR 121 Cb -0.15 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.60 2ed9 s THR 121 CO 0.01 0.39 1.55 -2.16 -0.54 0.00 0.00 174.62 173.87 2ed9 s PRO 122 N -1.48 4.09 0.37 3.99 0.04 -1.26 -3.41 135.00 137.34 2ed9 s PRO 122 Ca 0.40 1.92 0.15 0.00 0.04 0.00 0.00 61.00 63.51 2ed9 s PRO 122 Cb -0.21 -3.94 1.02 0.00 0.04 0.00 0.00 34.50 31.41 2ed9 s PRO 122 CO 0.25 -0.93 1.76 0.93 0.04 0.00 0.00 177.00 179.05 2ed9 h GLU 123 N 9.51 0.45 0.00 4.56 5.08 -1.95 -3.40 114.58 128.84 2ed9 h GLU 123 Ca -0.35 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2ed9 h GLU 123 Cb 1.15 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2ed9 h GLU 123 CO 0.97 0.30 0.00 -1.71 -1.00 0.00 0.00 179.01 177.57