#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 -0.02 0.33 1.61 0.15 -1.26 -5.19 113.70 109.32 2ed9 s SER 2 Ca 0.00 -0.50 -0.18 0.00 0.70 0.00 0.00 55.95 55.97 2ed9 s SER 2 Cb 0.00 0.40 0.06 0.00 -1.71 0.00 0.00 66.02 64.76 2ed9 s SER 2 CO 0.00 -0.78 0.85 -0.94 1.20 0.00 0.00 173.24 173.57 2ed9 s SER 3 N -3.41 -0.01 0.00 5.45 1.04 -1.26 -5.19 113.70 110.31 2ed9 s SER 3 Ca 0.22 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2ed9 s SER 3 Cb -0.01 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.86 2ed9 s SER 3 CO 0.03 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.36 2ed9 n GLY 4 N -0.56 3.48 3.74 7.32 0.00 -1.26 -5.19 105.19 112.71 2ed9 n GLY 4 Ca -0.07 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.15 -0.06 0.05 1.61 1.04 -1.26 -5.19 113.70 109.73 2ed9 s SER 5 Ca 0.00 -0.26 -0.28 0.00 0.48 0.00 0.00 55.95 55.89 2ed9 s SER 5 Cb 0.00 0.26 0.10 0.00 0.10 0.00 0.00 66.02 66.48 2ed9 s SER 5 CO 0.00 -0.50 1.19 -0.55 0.98 0.00 0.00 173.24 174.36 2ed9 s SER 6 N -3.16 -0.05 0.22 7.02 0.15 -1.26 -5.19 113.70 111.43 2ed9 s SER 6 Ca 0.17 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.45 2ed9 s SER 6 Cb 0.02 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 2ed9 s SER 6 CO -0.01 -0.52 0.33 -0.83 1.20 0.00 0.00 173.24 173.41 2ed9 s GLY 7 N -3.27 0.86 0.18 9.45 0.00 -1.26 -5.18 107.32 108.10 2ed9 s GLY 7 Ca 0.19 -1.18 -0.23 0.00 0.00 0.00 0.00 44.72 43.50 2ed9 s GLY 7 CO -0.00 -0.93 0.98 0.21 0.00 0.00 0.00 173.10 173.35 2ed9 s ASN 8 N -3.06 -0.10 -0.02 1.64 3.84 -1.26 -5.19 114.94 110.79 2ed9 s ASN 8 Ca 0.28 -0.55 -0.29 0.00 0.21 0.00 0.00 52.86 52.51 2ed9 s ASN 8 Cb 0.03 0.52 0.09 0.00 -0.55 0.00 0.00 41.25 41.33 2ed9 s ASN 8 CO 0.09 -0.99 0.77 0.00 -2.79 0.00 0.00 177.10 174.18 2ed9 s ARG 9 N -2.84 0.97 0.11 0.43 1.70 -1.26 -5.09 118.95 112.97 2ed9 s ARG 9 Ca 0.16 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 2ed9 s ARG 9 Cb -0.02 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 2ed9 s ARG 9 CO 0.04 -0.36 0.00 0.66 -1.08 0.00 0.00 175.30 174.56 2ed9 n TYR 10 N 0.37 -0.65 0.00 5.89 4.02 -1.26 -5.16 117.16 120.37 2ed9 n TYR 10 Ca -0.15 0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2ed9 n TYR 10 Cb 0.60 0.23 0.00 0.00 -0.02 0.00 0.00 39.34 40.15 2ed9 n TYR 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ed9 n GLY 11 N 2.55 1.61 3.61 2.72 0.00 -1.26 -5.09 105.19 109.33 2ed9 n GLY 11 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 2ed9 n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ed9 s PRO 12 N -4.34 -0.94 -0.08 1.61 0.04 -1.26 -5.07 135.00 124.96 2ed9 s PRO 12 Ca 0.00 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.08 2ed9 s PRO 12 Cb 0.00 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 32.94 2ed9 s PRO 12 CO 0.00 -3.54 -0.06 0.20 0.04 0.00 0.00 177.00 173.64 2ed9 s GLY 13 N -3.81 0.64 0.98 0.56 0.00 -1.26 -5.14 107.32 99.30 2ed9 s GLY 13 Ca 0.70 -0.30 -0.12 0.00 0.00 0.00 0.00 44.72 45.00 2ed9 s GLY 13 CO 0.56 0.66 1.09 -1.34 0.00 0.00 0.00 173.10 174.07 2ed9 s VAL 14 N 1.38 2.25 -0.30 1.40 -7.23 -1.26 -5.07 120.40 111.57 2ed9 s VAL 14 Ca -0.03 0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.06 2ed9 s VAL 14 Cb -0.14 -2.51 0.17 0.00 0.56 0.00 0.00 36.38 34.47 2ed9 s VAL 14 CO -0.03 -0.11 1.09 -0.44 -0.31 0.00 0.00 175.10 175.30 2ed9 s SER 15 N -3.32 -0.35 -0.16 4.85 0.01 -1.26 -5.16 113.70 108.31 2ed9 s SER 15 Ca 0.65 0.54 -0.05 0.00 1.31 0.00 0.00 55.95 58.40 2ed9 s SER 15 Cb -0.19 1.23 0.08 0.00 0.21 0.00 0.00 66.02 67.35 2ed9 s SER 15 CO 0.58 -0.08 0.28 0.42 0.41 0.00 0.00 173.24 174.85 2ed9 s THR 16 N 1.54 -0.44 -0.30 1.44 -4.23 -1.26 -5.13 115.64 107.26 2ed9 s THR 16 Ca -0.07 0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 60.44 2ed9 s THR 16 Cb -0.03 -0.55 0.17 0.00 1.34 0.00 0.00 72.50 73.43 2ed9 s THR 16 CO -0.14 0.03 1.08 -1.81 -0.54 0.00 0.00 174.62 173.24 2ed9 s ASP 17 N 2.43 -0.41 0.35 3.99 1.01 -1.26 -5.18 116.67 117.61 2ed9 s ASP 17 Ca 0.03 0.57 0.04 0.00 0.71 0.00 0.00 52.55 53.90 2ed9 s ASP 17 Cb -0.13 1.44 -0.05 0.00 1.01 0.00 0.00 42.92 45.18 2ed9 s ASP 17 CO -0.10 -0.08 0.07 1.51 0.21 0.00 0.00 175.17 176.77 2ed9 s ASP 18 N 2.21 2.58 -0.14 0.27 1.47 -1.26 -5.14 116.67 116.66 2ed9 s ASP 18 Ca -0.02 -1.45 -0.11 0.00 1.18 0.00 0.00 52.55 52.14 2ed9 s ASP 18 Cb -0.04 0.06 -0.05 0.00 -0.34 0.00 0.00 42.92 42.55 2ed9 s ASP 18 CO -0.17 -0.68 0.23 -0.63 0.68 0.00 0.00 175.17 174.60 2ed9 s ILE 19 N -3.25 5.35 0.04 2.11 1.01 -1.26 -5.09 121.20 120.11 2ed9 s ILE 19 Ca 0.32 0.40 -0.06 0.00 0.00 0.00 0.00 60.65 61.32 2ed9 s ILE 19 Cb 0.07 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 2ed9 s ILE 19 CO 0.15 0.49 0.12 0.42 0.00 0.00 0.00 174.94 176.11 2ed9 s THR 20 N -0.15 0.13 -0.16 2.92 -4.23 -1.26 -5.15 115.64 107.74 2ed9 s THR 20 Ca 0.15 -1.04 -0.03 0.00 -1.18 0.00 0.00 61.69 59.59 2ed9 s THR 20 Cb -0.13 -0.87 0.05 0.00 1.34 0.00 0.00 72.50 72.89 2ed9 s THR 20 CO 0.04 -0.57 0.05 -0.69 -0.54 0.00 0.00 174.62 172.91 2ed9 s VAL 21 N -2.54 0.25 -0.63 2.29 1.01 -1.26 -5.02 120.40 114.49 2ed9 s VAL 21 Ca -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2ed9 s VAL 21 Cb -0.01 -0.74 0.29 0.00 0.00 0.00 0.00 36.38 35.91 2ed9 s VAL 21 CO -0.04 -0.14 2.21 0.55 0.00 0.00 0.00 175.10 177.68 2ed9 n VAL 22 N 5.16 3.43 -1.48 2.92 3.14 -1.26 -5.01 118.33 125.23 2ed9 n VAL 22 Ca -0.08 -3.26 -0.43 0.00 -2.96 0.00 0.00 64.34 57.62 2ed9 n VAL 22 Cb 0.48 -1.32 -0.00 0.00 -1.06 0.00 0.00 33.84 31.94 2ed9 n VAL 22 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2ed9 n THR 23 N -0.17 1.87 -2.52 1.55 5.66 -1.26 -4.93 114.28 114.48 2ed9 n THR 23 Ca 0.52 -0.50 -0.16 0.00 -3.05 0.00 0.00 64.05 60.86 2ed9 n THR 23 Cb 0.47 -0.60 0.02 0.00 -1.55 0.00 0.00 70.33 68.67 2ed9 n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ed9 n LEU 24 N 1.31 3.12 -3.75 1.09 -0.00 -1.26 -5.06 117.00 112.45 2ed9 n LEU 24 Ca 0.12 -4.24 -0.13 0.00 -0.00 0.00 0.00 56.01 51.76 2ed9 n LEU 24 Cb 0.36 0.02 -0.08 0.00 -0.00 0.00 0.00 43.42 43.72 2ed9 n LEU 24 CO 0.56 1.77 0.04 -0.94 -0.00 0.00 0.00 177.39 178.82 2ed9 s SER 25 N -3.47 -0.20 -0.29 1.45 1.04 -1.26 -5.05 113.70 105.92 2ed9 s SER 25 Ca 0.38 0.08 0.10 0.00 0.48 0.00 0.00 55.95 56.98 2ed9 s SER 25 Cb 0.41 0.33 0.55 0.00 0.10 0.00 0.00 66.02 67.40 2ed9 s SER 25 CO -0.05 -0.48 1.54 0.47 0.98 0.00 0.00 173.24 175.71 2ed9 n ASP 26 N 1.16 3.09 -4.81 7.02 8.00 -1.26 -5.02 116.55 124.73 2ed9 n ASP 26 Ca -0.21 -3.56 -0.33 0.00 0.71 0.00 0.00 54.79 51.39 2ed9 n ASP 26 Cb 0.56 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2ed9 n ASP 26 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ed9 s VAL 27 N -3.15 4.08 1.11 2.53 -7.23 -1.26 -4.49 120.40 111.99 2ed9 s VAL 27 Ca 0.47 1.17 -0.16 0.00 -1.81 0.00 0.00 61.98 61.65 2ed9 s VAL 27 Cb 0.41 -3.53 0.24 0.00 0.56 0.00 0.00 36.38 34.06 2ed9 s VAL 27 CO 0.04 -0.40 1.10 -2.16 -0.31 0.00 0.00 175.10 173.37 2ed9 s PRO 28 N -3.55 -0.49 0.00 4.82 0.04 -1.26 -4.93 135.00 129.63 2ed9 s PRO 28 Ca 0.64 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2ed9 s PRO 28 Cb -0.13 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2ed9 s PRO 28 CO 0.24 -3.28 0.17 0.45 0.04 0.00 0.00 177.00 174.62 2ed9 n SER 29 N -4.50 0.34 -4.27 6.66 2.88 -1.26 -4.48 113.62 108.99 2ed9 n SER 29 Ca 0.09 -0.75 -0.32 0.00 -1.33 0.00 0.00 58.87 56.56 2ed9 n SER 29 Cb 0.58 0.17 -0.16 0.00 -0.75 0.00 0.00 64.21 64.05 2ed9 n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ed9 s ALA 30 N -0.17 2.27 0.89 -1.46 0.00 -1.26 -4.97 121.76 117.07 2ed9 s ALA 30 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 2ed9 s ALA 30 Cb 0.00 -0.86 0.13 0.00 0.00 0.00 0.00 23.12 22.38 2ed9 s ALA 30 CO 0.00 0.32 1.09 -1.25 0.00 0.00 0.00 175.76 175.92 2ed9 s PRO 31 N 0.20 1.30 0.94 0.00 0.04 -1.26 -4.78 135.00 131.43 2ed9 s PRO 31 Ca -0.13 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 2ed9 s PRO 31 Cb -0.16 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.71 2ed9 s PRO 31 CO 0.07 -2.22 1.09 -1.25 0.04 0.00 0.00 177.00 174.74 2ed9 s PRO 32 N -4.93 0.94 0.31 0.56 0.04 -1.26 -4.59 135.00 126.06 2ed9 s PRO 32 Ca 0.63 0.70 0.11 0.00 0.04 0.00 0.00 61.00 62.48 2ed9 s PRO 32 Cb -0.18 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2ed9 s PRO 32 CO 0.57 -2.43 -0.13 -0.65 0.04 0.00 0.00 177.00 174.40 2ed9 s GLN 33 N -4.95 1.81 -1.05 4.56 -0.21 -0.19 -4.71 119.66 114.92 2ed9 s GLN 33 Ca 0.64 -1.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.21 2ed9 s GLN 33 Cb -0.18 -1.79 0.00 0.00 1.00 0.00 0.00 33.01 32.04 2ed9 s GLN 33 CO 0.57 0.25 0.12 -1.71 -2.12 0.00 0.00 175.29 172.40 2ed9 n ASN 34 N -0.73 -4.13 -4.48 5.90 2.85 -1.26 0.15 115.26 113.56 2ed9 n ASN 34 Ca -0.05 -0.07 -0.43 0.00 -0.11 0.00 0.00 54.58 53.92 2ed9 n ASN 34 Cb 0.61 -3.22 -0.03 0.00 1.24 0.00 0.00 39.78 38.38 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 -2.73 4.45 0.22 3.44 1.01 -1.26 -3.72 120.40 121.81 2ed9 s VAL 35 Ca 0.06 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.91 2ed9 s VAL 35 Cb -0.03 -4.83 -0.05 0.00 0.00 0.00 0.00 36.38 31.47 2ed9 s VAL 35 CO 0.07 -1.61 0.07 -0.44 0.00 0.00 0.00 175.10 173.20 2ed9 s SER 36 N 3.95 1.06 0.09 3.32 0.01 -1.26 -4.99 113.70 115.88 2ed9 s SER 36 Ca 0.34 -1.31 0.10 0.00 1.31 0.00 0.00 55.95 56.38 2ed9 s SER 36 Cb -0.06 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 2ed9 s SER 36 CO -0.06 -0.69 -0.24 -0.76 0.41 0.00 0.00 173.24 171.90 2ed9 s LEU 37 N -3.24 2.41 -0.04 2.44 1.43 -1.26 -3.80 118.68 116.61 2ed9 s LEU 37 Ca 0.33 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2ed9 s LEU 37 Cb 0.07 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.95 2ed9 s LEU 37 CO 0.10 0.21 -0.07 -0.70 0.23 0.00 0.00 176.35 176.12 2ed9 s GLU 38 N -1.78 0.99 -0.64 1.70 2.56 -0.29 -5.04 118.70 116.20 2ed9 s GLU 38 Ca 0.14 -0.21 -0.23 0.00 0.00 0.00 0.00 54.97 54.68 2ed9 s GLU 38 Cb -0.10 -0.92 0.07 0.00 2.00 0.00 0.00 34.13 35.17 2ed9 s GLU 38 CO 0.06 -0.01 0.96 0.08 -0.56 0.00 0.00 175.26 175.79 2ed9 s VAL 39 N 0.64 4.33 -0.04 3.70 1.01 -1.26 -0.81 120.40 127.96 2ed9 s VAL 39 Ca -0.10 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 2ed9 s VAL 39 Cb -0.13 -4.66 -0.30 0.00 0.00 0.00 0.00 36.38 31.29 2ed9 s VAL 39 CO 0.01 -1.41 0.93 0.58 0.00 0.00 0.00 175.10 175.21 2ed9 h VAL 40 N 5.98 1.51 -3.21 2.92 2.07 -1.83 -3.48 116.25 120.21 2ed9 h VAL 40 Ca -0.28 -2.45 -0.14 0.00 0.82 0.00 0.00 66.70 64.65 2ed9 h VAL 40 Cb 1.07 3.11 -0.03 0.00 -1.52 0.00 0.00 31.29 33.92 2ed9 h VAL 40 CO 1.17 0.69 0.01 0.59 0.02 0.00 0.00 177.57 180.05 2ed9 n ASN 41 N -4.16 -1.27 0.21 0.57 3.02 0.70 -4.95 115.26 109.38 2ed9 n ASN 41 Ca -0.13 -2.32 0.09 0.00 -0.03 0.00 0.00 54.58 52.19 2ed9 n ASN 41 Cb 0.78 2.24 0.45 0.00 -0.61 0.00 0.00 39.78 42.64 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 1.46 0.00 0.00 6.41 4.64 -1.88 -3.13 113.55 121.05 2ed9 h SER 42 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2ed9 h SER 42 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2ed9 h SER 42 CO 0.29 0.27 -0.10 -2.11 -0.87 0.00 0.00 176.83 174.30 2ed9 n ARG 43 N -3.50 1.27 -3.79 4.77 1.85 -1.26 -4.46 116.66 111.55 2ed9 n ARG 43 Ca -0.00 -1.84 -0.14 0.00 -1.00 0.00 0.00 57.85 54.86 2ed9 n ARG 43 Cb 0.43 -1.10 -0.15 0.00 -1.05 0.00 0.00 32.46 30.59 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 -1.84 0.03 -0.03 2.89 0.01 -1.18 -0.70 113.70 112.88 2ed9 s SER 44 Ca 0.16 0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.50 2ed9 s SER 44 Cb 0.14 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.36 2ed9 s SER 44 CO 0.01 -0.11 -0.05 -0.63 0.41 0.00 0.00 173.24 172.88 2ed9 s ILE 45 N 0.87 0.50 -0.10 1.44 1.01 -1.05 -0.22 121.20 123.65 2ed9 s ILE 45 Ca -0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 2ed9 s ILE 45 Cb -0.10 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2ed9 s ILE 45 CO -0.03 0.19 0.14 -0.75 0.00 0.00 0.00 174.94 174.49 2ed9 s LYS 46 N 0.49 3.41 -0.03 2.79 2.47 0.01 -2.34 119.74 126.53 2ed9 s LYS 46 Ca -0.06 -0.18 -0.01 0.00 -1.56 0.00 0.00 55.97 54.15 2ed9 s LYS 46 Cb -0.10 -3.15 0.03 0.00 -1.46 0.00 0.00 37.83 33.15 2ed9 s LYS 46 CO -0.00 0.76 0.07 0.08 0.16 0.00 0.00 175.35 176.42 2ed9 s VAL 47 N -1.08 -0.04 0.38 4.02 1.01 -1.18 -1.14 120.40 122.36 2ed9 s VAL 47 Ca 0.17 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.35 2ed9 s VAL 47 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 2ed9 s VAL 47 CO 0.07 0.07 0.13 -1.20 0.00 0.00 0.00 175.10 174.16 2ed9 n SER 48 N 3.95 1.28 -3.66 3.32 7.64 -1.25 -1.09 113.62 123.81 2ed9 n SER 48 Ca -0.24 -2.99 -0.01 0.00 1.01 0.00 0.00 58.87 56.64 2ed9 n SER 48 Cb 0.53 0.92 -0.01 0.00 -1.01 0.00 0.00 64.21 64.64 2ed9 n SER 48 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 2ed9 s TRP 49 N -2.94 -0.06 0.04 1.43 -2.14 -1.00 -4.03 118.94 110.24 2ed9 s TRP 49 Ca 0.18 -0.15 -0.02 0.00 2.66 0.00 0.00 56.10 58.77 2ed9 s TRP 49 Cb 0.01 0.60 -0.03 0.00 -3.10 0.00 0.00 33.47 30.95 2ed9 s TRP 49 CO 0.13 -0.54 0.01 -0.51 -2.66 0.00 0.00 176.95 173.38 2ed9 s LEU 50 N -3.05 2.19 0.70 -4.66 1.43 0.40 -4.91 118.68 110.78 2ed9 s LEU 50 Ca 0.15 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 2ed9 s LEU 50 Cb 0.02 0.32 0.02 0.00 0.03 0.00 0.00 46.19 46.58 2ed9 s LEU 50 CO -0.01 -0.51 1.10 -2.16 0.23 0.00 0.00 176.35 175.01 2ed9 s PRO 51 N -2.95 2.61 1.01 1.29 0.04 -1.26 -1.02 135.00 134.71 2ed9 s PRO 51 Ca -0.02 1.32 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 2ed9 s PRO 51 Cb 0.01 -1.93 0.19 0.00 0.04 0.00 0.00 34.50 32.81 2ed9 s PRO 51 CO -0.06 -1.39 1.09 -1.25 0.04 0.00 0.00 177.00 175.43 2ed9 s PRO 52 N -4.37 0.35 0.30 0.56 0.04 -1.26 -4.30 135.00 126.33 2ed9 s PRO 52 Ca 0.65 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 2ed9 s PRO 52 Cb -0.19 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2ed9 s PRO 52 CO 0.46 -2.78 1.23 -1.25 0.04 0.00 0.00 177.00 174.70 2ed9 s PRO 53 N -4.96 4.46 1.04 0.56 0.04 -1.26 -4.91 135.00 129.97 2ed9 s PRO 53 Ca 0.65 2.06 -0.22 0.00 0.04 0.00 0.00 61.00 63.53 2ed9 s PRO 53 Cb -0.19 -3.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 2ed9 s PRO 53 CO 0.58 -0.05 -0.80 -1.13 0.04 0.00 0.00 177.00 175.64 2ed9 n SER 54 N 1.05 -3.06 0.00 6.66 3.41 -1.26 -3.10 113.62 117.32 2ed9 n SER 54 Ca -0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ed9 n SER 54 Cb 0.43 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2ed9 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ed9 n GLY 55 N 2.85 1.89 0.24 5.00 0.00 -1.26 -4.57 105.19 109.34 2ed9 n GLY 55 Ca -0.01 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 1.29 -0.88 2.61 1.35 -1.94 -3.45 112.91 111.89 2ed9 h THR 56 Ca 0.00 -1.57 -0.64 0.00 -0.55 0.00 0.00 66.41 63.65 2ed9 h THR 56 Cb 0.00 1.55 0.07 0.00 -1.73 0.00 0.00 68.15 68.04 2ed9 h THR 56 CO 0.00 0.51 -0.22 0.00 -0.25 0.00 0.00 175.52 175.56 2ed9 n GLN 57 N -4.13 0.00 -0.09 4.72 6.02 -1.25 -4.73 117.38 117.91 2ed9 n GLN 57 Ca -0.04 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.77 2ed9 n GLN 57 Cb 0.54 -1.08 -0.06 0.00 1.02 0.00 0.00 30.24 30.66 2ed9 n GLN 57 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2ed9 n ASN 58 N 1.55 1.52 -4.17 1.08 4.05 -1.26 -5.06 115.26 112.96 2ed9 n ASN 58 Ca 0.17 0.26 -0.14 0.00 0.45 0.00 0.00 54.58 55.31 2ed9 n ASN 58 Cb 0.15 -0.61 -0.11 0.00 1.23 0.00 0.00 39.78 40.44 2ed9 n ASN 58 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2ed9 s GLY 59 N -5.20 0.83 -0.33 8.20 0.00 -1.26 -5.06 107.32 104.51 2ed9 s GLY 59 Ca -0.27 -1.18 -0.36 0.00 0.00 0.00 0.00 44.72 42.92 2ed9 s GLY 59 CO 0.35 -1.25 2.14 0.33 0.00 0.00 0.00 173.10 174.66 2ed9 n PHE 60 N 0.57 1.68 -1.52 1.90 7.35 -1.26 -4.54 117.46 121.64 2ed9 n PHE 60 Ca -0.16 0.28 -0.44 0.00 -0.76 0.00 0.00 57.45 56.37 2ed9 n PHE 60 Cb 0.58 -2.53 -0.05 0.00 0.35 0.00 0.00 39.48 37.82 2ed9 n PHE 60 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2ed9 n ILE 61 N 6.88 0.15 0.06 -2.13 5.41 -1.26 -3.43 119.36 125.03 2ed9 n ILE 61 Ca 0.39 -0.44 -0.17 0.00 1.00 0.00 0.00 62.75 63.53 2ed9 n ILE 61 Cb 0.22 -2.12 -0.14 0.00 -0.71 0.00 0.00 39.64 36.89 2ed9 n ILE 61 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2ed9 h THR 62 N 7.35 1.15 -1.80 1.39 1.35 -1.77 -3.49 112.91 117.08 2ed9 h THR 62 Ca -0.29 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 62.79 2ed9 h THR 62 Cb 1.28 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 70.46 2ed9 h THR 62 CO 1.07 0.82 0.00 0.61 -0.25 0.00 0.00 175.52 177.76 2ed9 n GLY 63 N 1.67 1.89 2.88 5.82 0.00 -1.18 -4.90 105.19 111.37 2ed9 n GLY 63 Ca -0.17 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 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 -7.75 0.25 -0.32 1.61 1.51 -1.26 -1.80 117.35 109.59 2ed9 s TYR 64 Ca 0.00 -0.03 -0.17 0.00 -1.01 0.00 0.00 57.07 55.86 2ed9 s TYR 64 Cb 0.00 -0.23 -0.01 0.00 -0.11 0.00 0.00 41.96 41.61 2ed9 s TYR 64 CO 0.00 -0.04 0.45 0.21 -1.11 0.00 0.00 175.55 175.06 2ed9 s LYS 65 N 0.27 3.73 -0.29 -0.62 2.20 -0.63 -3.78 119.74 120.62 2ed9 s LYS 65 Ca -0.02 -0.13 -0.07 0.00 -0.36 0.00 0.00 55.97 55.38 2ed9 s LYS 65 Cb -0.05 -3.76 -0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2ed9 s LYS 65 CO -0.01 -0.52 0.09 0.42 -0.36 0.00 0.00 175.35 174.98 2ed9 s ILE 66 N 2.24 4.15 -0.14 5.43 1.01 0.19 -2.00 121.20 132.09 2ed9 s ILE 66 Ca 0.17 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 2ed9 s ILE 66 Cb -0.16 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 2ed9 s ILE 66 CO 0.12 0.14 -0.08 -0.13 0.00 0.00 0.00 174.94 174.99 2ed9 s ARG 67 N 1.55 3.49 -0.03 2.79 0.52 -1.14 -0.16 118.95 125.98 2ed9 s ARG 67 Ca 0.04 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.67 2ed9 s ARG 67 Cb -0.17 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.54 2ed9 s ARG 67 CO 0.03 0.26 -0.06 -3.38 0.02 0.00 0.00 175.30 172.17 2ed9 s HIS 68 N 0.28 0.73 0.33 -0.53 -3.43 -1.07 -0.74 115.29 110.86 2ed9 s HIS 68 Ca -0.06 -0.18 0.09 0.00 -0.80 0.00 0.00 55.06 54.11 2ed9 s HIS 68 Cb -0.15 -0.56 -0.06 0.00 -1.43 0.00 0.00 32.58 30.38 2ed9 s HIS 68 CO 0.04 -0.11 -0.09 -0.98 -2.00 0.00 0.00 174.74 171.60 2ed9 s ARG 69 N 0.39 1.76 0.06 -0.38 1.70 -1.14 -2.53 118.95 118.81 2ed9 s ARG 69 Ca -0.05 -1.90 0.09 0.00 -0.47 0.00 0.00 55.73 53.40 2ed9 s ARG 69 Cb -0.09 -1.60 -0.03 0.00 -0.57 0.00 0.00 34.95 32.66 2ed9 s ARG 69 CO 0.00 0.13 -0.24 0.21 -1.08 0.00 0.00 175.30 174.32 2ed9 s LYS 70 N -3.63 1.83 1.01 3.89 2.36 -1.26 -2.91 119.74 121.03 2ed9 s LYS 70 Ca 0.32 -1.11 -0.11 0.00 -2.55 0.00 0.00 55.97 52.52 2ed9 s LYS 70 Cb 0.02 -2.03 0.20 0.00 -1.05 0.00 0.00 37.83 34.97 2ed9 s LYS 70 CO 0.15 0.51 1.08 0.25 1.55 0.00 0.00 175.35 178.90 2ed9 n THR 71 N 1.58 0.00 -2.48 3.43 -2.24 -1.25 -2.53 114.28 110.78 2ed9 n THR 71 Ca -0.17 -0.16 -0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2ed9 n THR 71 Cb 0.52 -0.99 -0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2ed9 n THR 71 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2ed9 n THR 72 N -4.51 -0.02 -3.50 4.28 -1.04 -1.26 -4.84 114.28 103.40 2ed9 n THR 72 Ca 0.09 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.93 2ed9 n THR 72 Cb 0.53 -0.05 -0.13 0.00 -1.82 0.00 0.00 70.33 68.86 2ed9 n THR 72 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2ed9 s ARG 73 N -4.97 0.20 0.03 -2.82 1.81 -1.05 -5.13 118.95 107.01 2ed9 s ARG 73 Ca 0.00 0.29 -0.30 0.00 -1.72 0.00 0.00 55.73 53.99 2ed9 s ARG 73 Cb 0.00 -1.02 -0.04 0.00 -0.45 0.00 0.00 34.95 33.43 2ed9 s ARG 73 CO 0.00 -0.61 1.11 1.03 -0.68 0.00 0.00 175.30 176.15 2ed9 s ARG 74 N 2.35 4.48 0.00 3.54 1.81 -1.26 -4.38 118.95 125.49 2ed9 s ARG 74 Ca 0.07 1.62 0.00 0.00 -1.72 0.00 0.00 55.73 55.70 2ed9 s ARG 74 Cb -0.15 -3.40 0.00 0.00 -0.45 0.00 0.00 34.95 30.94 2ed9 s ARG 74 CO -0.12 -0.18 0.00 0.41 -0.68 0.00 0.00 175.30 174.73 2ed9 n GLY 75 N 3.10 3.75 3.03 -3.53 0.00 -1.26 -5.07 105.19 105.19 2ed9 n GLY 75 Ca 0.08 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.30 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 -4.12 1.03 -0.31 1.61 8.01 -1.26 -4.44 118.70 119.22 2ed9 s GLU 76 Ca 0.00 -0.35 -0.12 0.00 0.01 0.00 0.00 54.97 54.50 2ed9 s GLU 76 Cb 0.00 -0.96 -0.04 0.00 -4.31 0.00 0.00 34.13 28.83 2ed9 s GLU 76 CO 0.00 0.15 0.23 -1.64 0.01 0.00 0.00 175.26 174.01 2ed9 s MET 77 N 0.08 3.76 -0.16 1.61 -1.94 -1.05 -4.95 119.30 116.64 2ed9 s MET 77 Ca -0.02 -0.43 -0.19 0.00 -1.71 0.00 0.00 55.69 53.35 2ed9 s MET 77 Cb -0.08 -3.72 -0.03 0.00 2.01 0.00 0.00 34.83 33.00 2ed9 s MET 77 CO 0.00 -0.30 0.54 -2.00 -0.01 0.00 0.00 175.02 173.25 2ed9 s GLU 78 N 1.78 4.26 -0.04 2.03 -6.30 -1.26 -2.58 118.70 116.58 2ed9 s GLU 78 Ca 0.07 0.50 -0.03 0.00 -2.50 0.00 0.00 54.97 53.01 2ed9 s GLU 78 Cb -0.17 -3.52 0.01 0.00 0.00 0.00 0.00 34.13 30.46 2ed9 s GLU 78 CO 0.11 -0.06 0.10 0.99 0.02 0.00 0.00 175.26 176.42 2ed9 s THR 79 N 1.32 -0.01 0.12 -1.70 2.01 0.78 -4.98 115.64 113.19 2ed9 s THR 79 Ca 0.26 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.37 2ed9 s THR 79 Cb -0.16 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 2ed9 s THR 79 CO 0.11 0.01 -0.20 -1.48 -0.69 0.00 0.00 174.62 172.37 2ed9 s LEU 80 N 0.18 2.35 -0.29 4.42 0.05 -1.26 0.57 118.68 124.71 2ed9 s LEU 80 Ca -0.01 -0.75 -0.02 0.00 0.05 0.00 0.00 54.13 53.41 2ed9 s LEU 80 Cb -0.02 -0.85 0.09 0.00 -2.05 0.00 0.00 46.19 43.37 2ed9 s LEU 80 CO -0.01 0.02 0.09 -0.70 -0.55 0.00 0.00 176.35 175.20 2ed9 s GLU 81 N -2.22 0.65 0.38 1.48 2.12 -1.25 -4.99 118.70 114.87 2ed9 s GLU 81 Ca 0.09 -0.90 0.17 0.00 0.36 0.00 0.00 54.97 54.69 2ed9 s GLU 81 Cb -0.08 -1.90 0.75 0.00 0.26 0.00 0.00 34.13 33.16 2ed9 s GLU 81 CO 0.05 -0.93 1.79 -1.00 -0.54 0.00 0.00 175.26 174.62 2ed9 h PRO 82 N 8.15 0.00 -0.04 4.30 0.13 -1.90 -3.32 132.00 139.32 2ed9 h PRO 82 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2ed9 h PRO 82 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2ed9 h PRO 82 CO 0.45 0.38 -0.05 -0.91 -0.23 0.00 0.00 178.00 177.63 2ed9 h ASN 83 N 0.00 -0.16 -4.79 1.44 2.35 -1.94 -3.46 115.58 109.02 2ed9 h ASN 83 Ca -0.00 0.02 -0.52 0.00 -0.55 0.00 0.00 56.30 55.24 2ed9 h ASN 83 Cb 0.78 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 39.09 2ed9 h ASN 83 CO 0.05 -0.03 -0.45 0.59 -1.65 0.00 0.00 177.43 175.94 2ed9 n ASN 84 N -2.94 0.94 -1.50 5.81 3.02 -1.25 -5.03 115.26 114.31 2ed9 n ASN 84 Ca -0.00 -3.10 -0.08 0.00 -0.03 0.00 0.00 54.58 51.37 2ed9 n ASN 84 Cb 0.03 1.09 0.12 0.00 -0.61 0.00 0.00 39.78 40.41 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 4.45 -3.88 3.41 4.77 -1.26 -4.78 117.00 119.71 2ed9 n LEU 85 Ca -0.04 -2.32 -0.09 0.00 -0.03 0.00 0.00 56.01 53.53 2ed9 n LEU 85 Cb 0.59 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2ed9 n LEU 85 CO 0.31 0.68 -0.13 -1.66 -1.33 0.00 0.00 177.39 175.26 2ed9 s TRP 86 N -1.71 0.16 -0.10 -1.77 1.48 -1.26 -2.36 118.94 113.38 2ed9 s TRP 86 Ca 0.28 -0.53 -0.02 0.00 -1.06 0.00 0.00 56.10 54.77 2ed9 s TRP 86 Cb 0.23 -0.09 0.04 0.00 -1.16 0.00 0.00 33.47 32.49 2ed9 s TRP 86 CO 0.06 -0.48 0.02 -0.47 -4.06 0.00 0.00 176.95 172.02 2ed9 s TYR 87 N -3.37 0.68 -0.51 1.66 6.14 -0.25 -4.94 117.35 116.76 2ed9 s TYR 87 Ca 0.01 -0.31 -0.19 0.00 0.64 0.00 0.00 57.07 57.23 2ed9 s TYR 87 Cb 0.03 -0.83 0.07 0.00 0.42 0.00 0.00 41.96 41.65 2ed9 s TYR 87 CO -0.08 -0.40 0.61 -1.17 0.64 0.00 0.00 175.55 175.15 2ed9 s LEU 88 N 1.97 5.10 0.25 6.97 1.98 -1.26 -3.12 118.68 130.57 2ed9 s LEU 88 Ca 0.03 -1.03 -0.14 0.00 -2.89 0.00 0.00 54.13 50.10 2ed9 s LEU 88 Cb -0.14 -2.40 -0.08 0.00 0.66 0.00 0.00 46.19 44.23 2ed9 s LEU 88 CO -0.06 -0.90 0.65 -0.36 -1.89 0.00 0.00 176.35 173.79 2ed9 s PHE 89 N 2.53 3.46 -0.02 5.38 0.08 -0.99 -4.98 117.98 123.45 2ed9 s PHE 89 Ca 0.13 1.12 -0.06 0.00 0.12 0.00 0.00 56.93 58.24 2ed9 s PHE 89 Cb -0.20 -2.44 0.01 0.00 -0.57 0.00 0.00 43.02 39.81 2ed9 s PHE 89 CO 0.11 0.23 0.13 0.95 -0.10 0.00 0.00 175.22 176.54 2ed9 s THR 90 N -1.79 0.05 0.00 0.64 -4.23 -1.26 -2.55 115.64 106.51 2ed9 s THR 90 Ca 0.48 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2ed9 s THR 90 Cb -0.12 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.39 2ed9 s THR 90 CO 0.19 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 2ed9 n GLY 91 N 2.11 0.80 3.86 3.99 0.00 0.12 -5.01 105.19 111.06 2ed9 n GLY 91 Ca -0.18 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.20 3.13 -0.17 0.99 1.43 -1.21 -5.07 118.68 116.59 2ed9 s LEU 92 Ca 0.00 -0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 52.03 2ed9 s LEU 92 Cb 0.00 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 2ed9 s LEU 92 CO 0.00 -0.78 0.21 -0.70 0.23 0.00 0.00 176.35 175.31 2ed9 s GLU 93 N -4.14 4.14 0.37 1.70 2.12 -1.26 -4.72 118.70 116.91 2ed9 s GLU 93 Ca 0.43 -0.05 -0.26 0.00 0.36 0.00 0.00 54.97 55.45 2ed9 s GLU 93 Cb -0.02 -3.40 -0.09 0.00 0.26 0.00 0.00 34.13 30.89 2ed9 s GLU 93 CO 0.25 0.33 1.16 -1.59 -0.54 0.00 0.00 175.26 174.87 2ed9 s LYS 94 N 0.24 4.19 -0.77 4.30 -2.85 -1.26 -3.47 119.74 120.12 2ed9 s LYS 94 Ca 0.13 1.85 -0.04 0.00 -1.00 0.00 0.00 55.97 56.91 2ed9 s LYS 94 Cb -0.12 -2.80 0.00 0.00 -2.06 0.00 0.00 37.83 32.86 2ed9 s LYS 94 CO 0.02 -0.20 0.52 0.41 0.10 0.00 0.00 175.35 176.19 2ed9 n GLY 95 N 0.72 0.11 3.35 0.59 0.00 -1.25 -4.96 105.19 103.74 2ed9 n GLY 95 Ca 0.03 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.05 1.83 -0.13 1.61 0.01 -1.23 -5.04 113.70 107.71 2ed9 s SER 96 Ca 0.26 -1.26 -0.00 0.00 1.31 0.00 0.00 55.95 56.25 2ed9 s SER 96 Cb -0.11 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 2ed9 s SER 96 CO 0.32 -0.55 -0.12 -1.58 0.41 0.00 0.00 173.24 171.72 2ed9 s GLN 97 N -3.89 3.34 0.02 12.44 0.74 -1.26 -3.47 119.66 127.59 2ed9 s GLN 97 Ca 0.31 -0.66 0.02 0.00 0.05 0.00 0.00 55.36 55.08 2ed9 s GLN 97 Cb 0.06 -2.65 -0.02 0.00 1.10 0.00 0.00 33.01 31.51 2ed9 s GLN 97 CO 0.10 0.26 -0.08 0.71 -0.55 0.00 0.00 175.29 175.73 2ed9 s TYR 98 N 0.24 0.69 0.21 1.67 2.02 -1.21 -3.94 117.35 117.02 2ed9 s TYR 98 Ca -0.08 -0.31 0.10 0.00 -0.37 0.00 0.00 57.07 56.41 2ed9 s TYR 98 Cb -0.15 -0.42 -0.05 0.00 -0.40 0.00 0.00 41.96 40.94 2ed9 s TYR 98 CO 0.05 -0.04 -0.20 -1.54 -1.57 0.00 0.00 175.55 172.25 2ed9 s SER 99 N -0.93 3.14 0.34 2.29 1.04 -1.15 -1.83 113.70 116.61 2ed9 s SER 99 Ca -0.03 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 55.53 2ed9 s SER 99 Cb -0.07 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 2ed9 s SER 99 CO 0.00 0.02 0.23 -0.36 0.98 0.00 0.00 173.24 174.11 2ed9 s PHE 100 N -2.16 1.73 0.05 5.02 0.08 -0.77 -2.88 117.98 119.05 2ed9 s PHE 100 Ca 0.22 -1.56 -0.27 0.00 0.12 0.00 0.00 56.93 55.44 2ed9 s PHE 100 Cb -0.06 -0.82 0.08 0.00 -0.57 0.00 0.00 43.02 41.66 2ed9 s PHE 100 CO 0.10 -0.72 0.72 -1.14 -0.10 0.00 0.00 175.22 174.08 2ed9 s GLN 101 N -3.55 1.07 0.01 0.44 0.74 0.08 -3.43 119.66 115.02 2ed9 s GLN 101 Ca 0.36 -0.21 0.02 0.00 0.05 0.00 0.00 55.36 55.58 2ed9 s GLN 101 Cb 0.03 0.49 -0.01 0.00 1.10 0.00 0.00 33.01 34.62 2ed9 s GLN 101 CO 0.24 -0.43 -0.07 0.08 -0.55 0.00 0.00 175.29 174.56 2ed9 s VAL 102 N -2.79 0.50 -0.08 1.34 1.01 -1.26 -2.86 120.40 116.27 2ed9 s VAL 102 Ca -0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2ed9 s VAL 102 Cb -0.01 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.93 2ed9 s VAL 102 CO -0.05 -0.01 0.20 -0.55 0.00 0.00 0.00 175.10 174.68 2ed9 s SER 103 N -0.56 -0.20 -0.62 3.32 0.15 -0.85 -1.86 113.70 113.08 2ed9 s SER 103 Ca -0.01 0.41 -0.27 0.00 0.70 0.00 0.00 55.95 56.78 2ed9 s SER 103 Cb -0.05 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2ed9 s SER 103 CO 0.00 -0.10 1.15 0.00 1.20 0.00 0.00 173.24 175.49 2ed9 s ALA 104 N 0.48 2.97 -0.23 5.45 0.00 -1.26 -1.61 121.76 127.56 2ed9 s ALA 104 Ca -0.03 -1.11 -0.21 0.00 0.00 0.00 0.00 51.96 50.61 2ed9 s ALA 104 Cb -0.05 -4.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.03 2ed9 s ALA 104 CO -0.02 -2.78 0.67 -1.64 0.00 0.00 0.00 175.76 171.99 2ed9 s MET 105 N 4.91 4.17 0.24 0.00 -1.94 -0.75 -1.29 119.30 124.64 2ed9 s MET 105 Ca 0.37 0.65 0.07 0.00 -1.71 0.00 0.00 55.69 55.08 2ed9 s MET 105 Cb -0.09 -3.62 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 2ed9 s MET 105 CO 0.21 -0.36 0.13 0.95 -0.01 0.00 0.00 175.02 175.94 2ed9 s THR 106 N 2.32 4.19 0.65 2.05 -4.23 -0.91 -2.32 115.64 117.39 2ed9 s THR 106 Ca 0.29 -1.48 0.16 0.00 -1.18 0.00 0.00 61.69 59.48 2ed9 s THR 106 Cb -0.16 -3.23 0.18 0.00 1.34 0.00 0.00 72.50 70.63 2ed9 s THR 106 CO 0.09 -0.31 1.42 1.62 -0.54 0.00 0.00 174.62 176.90 2ed9 h VAL 107 N 1.71 0.03 0.01 2.29 3.04 -1.79 0.58 116.25 122.12 2ed9 h VAL 107 Ca -0.47 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.09 2ed9 h VAL 107 Cb 1.23 0.28 0.01 0.00 -2.01 0.00 0.00 31.29 30.80 2ed9 h VAL 107 CO 0.61 0.00 -0.50 0.78 -1.01 0.00 0.00 177.57 177.45 2ed9 h ASN 108 N 0.00 0.42 0.00 3.17 2.35 -1.91 -3.50 115.58 116.10 2ed9 h ASN 108 Ca 0.07 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 2ed9 h ASN 108 Cb 1.58 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.83 2ed9 h ASN 108 CO -0.00 1.15 0.00 0.61 -1.65 0.00 0.00 177.43 177.54 2ed9 n GLY 109 N 1.12 -0.19 2.89 2.83 0.00 0.20 -4.90 105.19 107.15 2ed9 n GLY 109 Ca -0.10 0.52 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.97 1.19 2.61 2.01 -1.26 -2.14 115.64 119.02 2ed9 s THR 110 Ca 0.00 -0.28 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 2ed9 s THR 110 Cb 0.00 -1.02 0.31 0.00 0.01 0.00 0.00 72.50 71.80 2ed9 s THR 110 CO 0.00 0.33 0.77 0.61 -0.69 0.00 0.00 174.62 175.65 2ed9 n GLY 111 N 4.96 -3.67 3.77 4.40 0.00 -0.41 -4.84 105.19 109.40 2ed9 n GLY 111 Ca -0.12 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -4.82 3.56 0.41 1.61 0.04 -1.26 -4.74 135.00 129.80 2ed9 s PRO 112 Ca 0.57 1.68 -0.25 0.00 0.04 0.00 0.00 61.00 63.05 2ed9 s PRO 112 Cb -0.09 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 2ed9 s PRO 112 CO 0.47 -0.70 1.18 -1.25 0.04 0.00 0.00 177.00 176.74 2ed9 s PRO 113 N -3.00 3.98 0.79 0.56 0.04 -1.26 -4.48 135.00 131.62 2ed9 s PRO 113 Ca 0.68 1.86 -0.05 0.00 0.04 0.00 0.00 61.00 63.54 2ed9 s PRO 113 Cb -0.26 -2.63 0.15 0.00 0.04 0.00 0.00 34.50 31.80 2ed9 s PRO 113 CO 0.30 -0.39 1.08 0.45 0.04 0.00 0.00 177.00 178.48 2ed9 s SER 114 N -1.13 4.02 0.79 6.66 0.15 -0.78 -4.92 113.70 118.50 2ed9 s SER 114 Ca 0.58 -0.20 -0.14 0.00 0.70 0.00 0.00 55.95 56.89 2ed9 s SER 114 Cb -0.31 -0.08 0.04 0.00 -1.71 0.00 0.00 66.02 63.96 2ed9 s SER 114 CO 0.39 -2.10 0.94 0.59 1.20 0.00 0.00 173.24 174.27 2ed9 n ASN 115 N -3.08 0.16 -4.39 5.45 4.13 -1.26 -4.75 115.26 111.51 2ed9 n ASN 115 Ca 0.15 0.57 -0.45 0.00 1.68 0.00 0.00 54.58 56.53 2ed9 n ASN 115 Cb 0.60 -1.40 -0.03 0.00 -1.54 0.00 0.00 39.78 37.42 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 -2.06 3.36 0.19 3.10 0.52 -1.26 -4.67 118.94 118.11 2ed9 s TRP 116 Ca 0.70 -1.57 -0.25 0.00 0.02 0.00 0.00 56.10 55.00 2ed9 s TRP 116 Cb -0.30 -4.07 -0.08 0.00 -1.15 0.00 0.00 33.47 27.87 2ed9 s TRP 116 CO 0.54 -1.27 0.78 0.71 0.02 0.00 0.00 176.95 177.73 2ed9 s TYR 117 N 1.69 3.86 0.10 -1.98 1.51 -1.22 -4.93 117.35 116.39 2ed9 s TYR 117 Ca 0.24 1.61 0.10 0.00 -1.01 0.00 0.00 57.07 58.02 2ed9 s TYR 117 Cb -0.09 -2.76 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 2ed9 s TYR 117 CO -0.07 0.47 -0.26 0.99 -1.11 0.00 0.00 175.55 175.57 2ed9 s THR 118 N -1.23 2.31 -0.04 -0.71 2.01 -1.26 -1.85 115.64 114.86 2ed9 s THR 118 Ca 0.38 -1.60 -0.01 0.00 0.31 0.00 0.00 61.69 60.76 2ed9 s THR 118 Cb -0.22 -1.99 0.03 0.00 0.01 0.00 0.00 72.50 70.34 2ed9 s THR 118 CO 0.25 0.18 0.09 0.00 -0.69 0.00 0.00 174.62 174.46 2ed9 s ALA 119 N -0.99 -0.10 -0.12 7.40 0.00 -0.76 -5.00 121.76 122.19 2ed9 s ALA 119 Ca 0.14 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 2ed9 s ALA 119 Cb -0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 2ed9 s ALA 119 CO 0.05 -0.13 0.27 -1.21 0.00 0.00 0.00 175.76 174.74 2ed9 s GLU 120 N 1.12 4.01 0.24 0.00 2.02 -1.26 -3.33 118.70 121.50 2ed9 s GLU 120 Ca -0.09 0.08 -0.22 0.00 0.02 0.00 0.00 54.97 54.75 2ed9 s GLU 120 Cb -0.12 -3.33 -0.09 0.00 0.10 0.00 0.00 34.13 30.69 2ed9 s GLU 120 CO -0.04 0.45 0.80 0.95 0.02 0.00 0.00 175.26 177.43 2ed9 s THR 121 N -0.16 4.43 -0.16 3.63 -4.23 -1.23 -5.01 115.64 112.92 2ed9 s THR 121 Ca 0.17 1.51 -0.29 0.00 -1.18 0.00 0.00 61.69 61.89 2ed9 s THR 121 Cb -0.13 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.72 2ed9 s THR 121 CO 0.05 0.24 1.57 -2.16 -0.54 0.00 0.00 174.62 173.78 2ed9 s PRO 122 N -1.86 4.00 0.35 3.99 0.04 -1.26 -3.89 135.00 136.37 2ed9 s PRO 122 Ca 0.44 1.84 0.14 0.00 0.04 0.00 0.00 61.00 63.45 2ed9 s PRO 122 Cb -0.18 -3.97 1.12 0.00 0.04 0.00 0.00 34.50 31.51 2ed9 s PRO 122 CO 0.23 -1.04 1.58 0.93 0.04 0.00 0.00 177.00 178.74 2ed9 h GLU 123 N 9.88 0.02 -0.02 4.56 5.08 -1.94 -3.43 114.58 128.73 2ed9 h GLU 123 Ca -0.34 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2ed9 h GLU 123 Cb 1.15 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2ed9 h GLU 123 CO 0.98 0.01 0.00 -1.71 -1.00 0.00 0.00 179.01 177.29