#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 -0.08 -0.66 1.61 0.01 -1.26 -5.11 113.70 108.21 2ed9 s SER 2 Ca 0.00 -0.83 -0.18 0.00 1.31 0.00 0.00 55.95 56.25 2ed9 s SER 2 Cb 0.00 0.53 0.12 0.00 0.21 0.00 0.00 66.02 66.88 2ed9 s SER 2 CO 0.00 -1.03 0.76 -0.55 0.41 0.00 0.00 173.24 172.83 2ed9 s SER 3 N -2.97 6.31 -0.31 2.44 0.15 -1.26 -4.90 113.70 113.16 2ed9 s SER 3 Ca 0.18 -1.68 -0.12 0.00 0.70 0.00 0.00 55.95 55.03 2ed9 s SER 3 Cb 0.01 -2.30 0.19 0.00 -1.71 0.00 0.00 66.02 62.21 2ed9 s SER 3 CO 0.03 -1.03 1.09 -0.83 1.20 0.00 0.00 173.24 173.70 2ed9 s GLY 4 N 3.44 -1.30 0.06 9.45 0.00 -1.26 -5.17 107.32 112.54 2ed9 s GLY 4 Ca 0.14 1.71 -0.10 0.00 0.00 0.00 0.00 44.72 46.47 2ed9 s GLY 4 CO 0.02 4.28 0.23 -0.45 0.00 0.00 0.00 173.10 177.18 2ed9 s SER 5 N 2.37 0.01 -0.15 1.64 0.15 -1.26 -5.15 113.70 111.31 2ed9 s SER 5 Ca 0.21 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 2ed9 s SER 5 Cb 0.02 0.33 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 2ed9 s SER 5 CO -0.18 -0.65 -0.01 -0.55 1.20 0.00 0.00 173.24 173.05 2ed9 s SER 6 N -2.39 2.53 0.93 5.45 0.15 -1.26 -5.13 113.70 113.98 2ed9 s SER 6 Ca -0.01 -0.56 -0.13 0.00 0.70 0.00 0.00 55.95 55.95 2ed9 s SER 6 Cb 0.01 -0.70 0.04 0.00 -1.71 0.00 0.00 66.02 63.65 2ed9 s SER 6 CO -0.07 -0.22 0.47 0.61 1.20 0.00 0.00 173.24 175.23 2ed9 n GLY 7 N 4.99 -1.85 3.91 9.45 0.00 -1.26 -5.02 105.19 115.41 2ed9 n GLY 7 Ca -0.10 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 2ed9 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ed9 s ASN 8 N -2.00 5.05 0.87 1.61 2.20 -1.26 -5.12 114.94 116.29 2ed9 s ASN 8 Ca 0.58 -0.80 -0.12 0.00 -0.94 0.00 0.00 52.86 51.59 2ed9 s ASN 8 Cb -0.22 -0.36 0.11 0.00 -2.00 0.00 0.00 41.25 38.78 2ed9 s ASN 8 CO 0.66 -0.79 1.09 0.00 -2.94 0.00 0.00 177.10 175.12 2ed9 s ARG 9 N -4.22 1.46 0.84 3.55 1.70 -1.26 -4.98 118.95 116.04 2ed9 s ARG 9 Ca 0.48 0.75 -0.14 0.00 -0.47 0.00 0.00 55.73 56.34 2ed9 s ARG 9 Cb -0.04 -1.84 0.01 0.00 -0.57 0.00 0.00 34.95 32.51 2ed9 s ARG 9 CO 0.28 -2.08 0.56 0.98 -1.08 0.00 0.00 175.30 173.96 2ed9 n TYR 10 N -3.76 -0.83 -3.74 5.89 9.36 -1.26 -5.03 117.16 117.79 2ed9 n TYR 10 Ca 0.07 0.30 -0.14 0.00 3.32 0.00 0.00 57.90 61.46 2ed9 n TYR 10 Cb 0.56 -1.88 -0.09 0.00 -0.63 0.00 0.00 39.34 37.30 2ed9 n TYR 10 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 2ed9 s GLY 11 N -1.80 -0.22 1.14 2.98 0.00 -1.26 -5.17 107.32 102.99 2ed9 s GLY 11 Ca 0.63 0.60 -0.19 0.00 0.00 0.00 0.00 44.72 45.76 2ed9 s GLY 11 CO 0.61 0.40 1.01 -1.55 0.00 0.00 0.00 173.10 173.58 2ed9 n PRO 12 N 1.71 -2.99 0.00 2.90 -0.04 -1.26 -5.09 135.00 130.23 2ed9 n PRO 12 Ca -0.19 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 2ed9 n PRO 12 Cb 0.56 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -4.22 -0.23 3.41 0.55 0.00 -1.26 -5.17 105.19 98.27 2ed9 n GLY 13 Ca 0.14 0.76 -0.29 0.00 0.00 0.00 0.00 46.02 46.63 2ed9 n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ed9 n VAL 14 N 0.00 0.00 -3.64 1.61 0.24 -1.26 -5.06 118.33 110.22 2ed9 n VAL 14 Ca 0.00 -0.44 -0.08 0.00 -2.04 0.00 0.00 64.34 61.77 2ed9 n VAL 14 Cb 0.00 -0.93 -0.07 0.00 -1.47 0.00 0.00 33.84 31.38 2ed9 n VAL 14 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2ed9 s SER 15 N -2.31 -0.58 -0.11 -1.34 1.04 -1.26 -5.18 113.70 103.96 2ed9 s SER 15 Ca 0.66 1.04 -0.32 0.00 0.48 0.00 0.00 55.95 57.81 2ed9 s SER 15 Cb -0.23 1.12 0.12 0.00 0.10 0.00 0.00 66.02 67.14 2ed9 s SER 15 CO 0.65 -0.17 1.07 0.28 0.98 0.00 0.00 173.24 176.05 2ed9 s THR 16 N 0.68 0.00 -0.29 2.02 -1.32 -1.26 -5.15 115.64 110.32 2ed9 s THR 16 Ca -0.02 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.47 2ed9 s THR 16 Cb -0.05 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.12 2ed9 s THR 16 CO -0.09 0.00 0.53 -1.81 -2.21 0.00 0.00 174.62 171.05 2ed9 s ASP 17 N -2.22 -0.95 0.32 8.08 1.01 -1.26 -5.16 116.67 116.49 2ed9 s ASP 17 Ca 0.07 0.47 0.05 0.00 0.71 0.00 0.00 52.55 53.84 2ed9 s ASP 17 Cb -0.01 1.83 -0.02 0.00 1.01 0.00 0.00 42.92 45.73 2ed9 s ASP 17 CO -0.06 -0.29 0.47 -1.81 0.21 0.00 0.00 175.17 173.69 2ed9 s ASP 18 N 2.76 6.10 -0.08 0.27 1.01 -1.26 -5.09 116.67 120.38 2ed9 s ASP 18 Ca 0.16 0.03 -0.18 0.00 0.71 0.00 0.00 52.55 53.26 2ed9 s ASP 18 Cb -0.14 -1.55 -0.05 0.00 1.01 0.00 0.00 42.92 42.19 2ed9 s ASP 18 CO -0.22 -0.34 0.49 -0.63 0.21 0.00 0.00 175.17 174.67 2ed9 s ILE 19 N -2.18 5.11 0.22 0.77 -1.09 -1.26 -5.08 121.20 117.69 2ed9 s ILE 19 Ca 0.41 0.98 0.05 0.00 -2.23 0.00 0.00 60.65 59.87 2ed9 s ILE 19 Cb -0.09 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 2ed9 s ILE 19 CO 0.32 0.39 0.30 0.42 -1.23 0.00 0.00 174.94 175.13 2ed9 s THR 20 N 0.19 5.04 -0.21 2.92 -4.23 -1.26 -5.05 115.64 113.04 2ed9 s THR 20 Ca 0.26 -1.04 -0.29 0.00 -1.18 0.00 0.00 61.69 59.44 2ed9 s THR 20 Cb -0.16 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 69.94 2ed9 s THR 20 CO 0.12 -0.28 1.72 0.54 -0.54 0.00 0.00 174.62 176.18 2ed9 s VAL 21 N -1.96 3.55 -0.21 2.29 0.11 -1.26 -4.86 120.40 118.07 2ed9 s VAL 21 Ca 0.34 0.62 0.12 0.00 -2.93 0.00 0.00 61.98 60.12 2ed9 s VAL 21 Cb -0.09 -3.58 0.43 0.00 -1.53 0.00 0.00 36.38 31.60 2ed9 s VAL 21 CO 0.28 -0.26 1.21 0.55 -3.33 0.00 0.00 175.10 173.55 2ed9 n VAL 22 N 6.58 2.08 -2.71 2.04 3.14 -1.26 -5.06 118.33 123.14 2ed9 n VAL 22 Ca 0.20 -3.22 -0.38 0.00 -2.96 0.00 0.00 64.34 57.98 2ed9 n VAL 22 Cb 0.45 -0.26 -0.06 0.00 -1.06 0.00 0.00 33.84 32.92 2ed9 n VAL 22 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2ed9 s THR 23 N -3.20 4.04 0.15 1.55 -1.32 -1.26 -5.05 115.64 110.54 2ed9 s THR 23 Ca 0.39 1.81 -0.14 0.00 -1.21 0.00 0.00 61.69 62.55 2ed9 s THR 23 Cb 0.38 -4.06 -0.07 0.00 -1.51 0.00 0.00 72.50 67.24 2ed9 s THR 23 CO -0.06 0.25 0.54 -0.76 -2.21 0.00 0.00 174.62 172.39 2ed9 s LEU 24 N -1.80 4.33 0.10 9.08 1.43 -1.26 -5.09 118.68 125.47 2ed9 s LEU 24 Ca 0.48 1.06 0.10 0.00 -1.03 0.00 0.00 54.13 54.74 2ed9 s LEU 24 Cb -0.23 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2ed9 s LEU 24 CO 0.28 0.10 -0.26 -0.55 0.23 0.00 0.00 176.35 176.15 2ed9 s SER 25 N -1.75 3.21 -0.11 2.29 0.15 -1.26 -5.03 113.70 111.21 2ed9 s SER 25 Ca 0.38 -0.69 0.14 0.00 0.70 0.00 0.00 55.95 56.47 2ed9 s SER 25 Cb -0.15 -0.24 0.36 0.00 -1.71 0.00 0.00 66.02 64.28 2ed9 s SER 25 CO 0.19 0.20 1.27 0.47 1.20 0.00 0.00 173.24 176.56 2ed9 n ASP 26 N 1.21 3.07 -4.76 5.45 8.00 -1.26 -5.04 116.55 123.21 2ed9 n ASP 26 Ca -0.18 -2.69 -0.35 0.00 0.71 0.00 0.00 54.79 52.29 2ed9 n ASP 26 Cb 0.53 -0.38 0.03 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.21 2.97 0.84 2.53 -7.23 -1.26 -4.36 120.40 111.68 2ed9 s VAL 27 Ca 0.30 0.54 -0.11 0.00 -1.81 0.00 0.00 61.98 60.90 2ed9 s VAL 27 Cb 0.23 -3.14 0.10 0.00 0.56 0.00 0.00 36.38 34.13 2ed9 s VAL 27 CO 0.08 -0.19 1.09 -2.16 -0.31 0.00 0.00 175.10 173.61 2ed9 s PRO 28 N -3.61 1.72 -0.29 4.82 0.04 -1.26 -4.83 135.00 131.58 2ed9 s PRO 28 Ca 0.72 0.99 0.11 0.00 0.04 0.00 0.00 61.00 62.86 2ed9 s PRO 28 Cb -0.25 -1.85 0.47 0.00 0.04 0.00 0.00 34.50 32.91 2ed9 s PRO 28 CO 0.35 -1.96 1.16 0.43 0.04 0.00 0.00 177.00 177.01 2ed9 n SER 29 N -3.72 3.94 -3.64 6.66 7.64 -1.26 -4.61 113.62 118.63 2ed9 n SER 29 Ca 0.08 -3.26 -0.07 0.00 1.01 0.00 0.00 58.87 56.63 2ed9 n SER 29 Cb 0.54 -0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.29 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 -3.64 -2.06 0.97 -0.43 0.00 -1.26 -5.05 121.76 110.28 2ed9 s ALA 30 Ca 0.44 1.79 -0.12 0.00 0.00 0.00 0.00 51.96 54.06 2ed9 s ALA 30 Cb 0.39 -1.51 0.17 0.00 0.00 0.00 0.00 23.12 22.16 2ed9 s ALA 30 CO 0.01 -0.19 1.09 -1.25 0.00 0.00 0.00 175.76 175.42 2ed9 s PRO 31 N 0.02 0.69 1.09 0.00 0.04 -1.26 -4.77 135.00 130.80 2ed9 s PRO 31 Ca 0.05 0.62 -0.15 0.00 0.04 0.00 0.00 61.00 61.55 2ed9 s PRO 31 Cb -0.05 -1.76 0.23 0.00 0.04 0.00 0.00 34.50 32.97 2ed9 s PRO 31 CO -0.09 -2.58 1.10 -1.25 0.04 0.00 0.00 177.00 174.22 2ed9 s PRO 32 N -4.95 -0.29 0.39 0.56 0.04 -1.26 -4.75 135.00 124.74 2ed9 s PRO 32 Ca 0.65 0.27 0.07 0.00 0.04 0.00 0.00 61.00 62.03 2ed9 s PRO 32 Cb -0.18 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 2ed9 s PRO 32 CO 0.57 -3.16 -0.01 -0.65 0.04 0.00 0.00 177.00 173.79 2ed9 s GLN 33 N -5.13 1.91 -1.45 4.56 -0.21 -0.96 -4.75 119.66 113.63 2ed9 s GLN 33 Ca 0.68 -2.06 -0.10 0.00 0.02 0.00 0.00 55.36 53.90 2ed9 s GLN 33 Cb -0.15 -1.63 0.05 0.00 1.00 0.00 0.00 33.01 32.28 2ed9 s GLN 33 CO 0.57 -0.01 0.97 0.09 -2.12 0.00 0.00 175.29 174.79 2ed9 n ASN 34 N -0.92 -4.34 -4.36 5.90 4.13 -1.26 -0.84 115.26 113.57 2ed9 n ASN 34 Ca -0.05 -0.74 -0.46 0.00 1.68 0.00 0.00 54.58 55.02 2ed9 n ASN 34 Cb 0.66 -4.18 -0.03 0.00 -1.54 0.00 0.00 39.78 34.69 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 -3.38 5.21 0.29 2.41 1.01 -1.26 -3.53 120.40 121.15 2ed9 s VAL 35 Ca 0.50 -1.85 0.02 0.00 0.00 0.00 0.00 61.98 60.66 2ed9 s VAL 35 Cb -0.25 -4.52 -0.06 0.00 0.00 0.00 0.00 36.38 31.55 2ed9 s VAL 35 CO 0.80 -1.13 0.08 -0.44 0.00 0.00 0.00 175.10 174.41 2ed9 s SER 36 N 2.96 1.76 0.11 3.32 0.01 -1.26 -5.04 113.70 115.56 2ed9 s SER 36 Ca 0.18 -1.38 0.10 0.00 1.31 0.00 0.00 55.95 56.16 2ed9 s SER 36 Cb -0.14 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 2ed9 s SER 36 CO -0.04 -0.67 -0.25 -0.76 0.41 0.00 0.00 173.24 171.92 2ed9 s LEU 37 N -3.40 2.29 -0.23 2.44 1.43 -1.26 -3.93 118.68 116.02 2ed9 s LEU 37 Ca 0.37 -0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2ed9 s LEU 37 Cb 0.08 -1.14 0.12 0.00 0.03 0.00 0.00 46.19 45.28 2ed9 s LEU 37 CO 0.15 0.16 0.35 -0.70 0.23 0.00 0.00 176.35 176.53 2ed9 s GLU 38 N -1.89 0.31 -0.40 1.70 2.12 -1.24 -5.09 118.70 114.20 2ed9 s GLU 38 Ca 0.12 0.49 -0.29 0.00 0.36 0.00 0.00 54.97 55.65 2ed9 s GLU 38 Cb -0.10 -0.58 0.02 0.00 0.26 0.00 0.00 34.13 33.73 2ed9 s GLU 38 CO 0.05 -0.62 1.16 0.08 -0.54 0.00 0.00 175.26 175.38 2ed9 s VAL 39 N 2.50 4.28 -0.10 3.70 1.01 -1.26 -3.05 120.40 127.47 2ed9 s VAL 39 Ca 0.11 1.38 -0.18 0.00 0.00 0.00 0.00 61.98 63.28 2ed9 s VAL 39 Cb -0.15 -4.47 -0.27 0.00 0.00 0.00 0.00 36.38 31.49 2ed9 s VAL 39 CO -0.15 -0.76 0.61 0.58 0.00 0.00 0.00 175.10 175.38 2ed9 h VAL 40 N 6.06 1.17 -4.92 2.92 2.07 -1.91 -3.49 116.25 118.15 2ed9 h VAL 40 Ca -0.23 -2.40 -0.51 0.00 0.82 0.00 0.00 66.70 64.38 2ed9 h VAL 40 Cb 1.07 2.82 -0.13 0.00 -1.52 0.00 0.00 31.29 33.53 2ed9 h VAL 40 CO 1.08 0.67 -0.48 0.59 0.02 0.00 0.00 177.57 179.45 2ed9 n ASN 41 N -4.06 -0.31 -0.13 0.57 4.13 -0.72 -5.00 115.26 109.74 2ed9 n ASN 41 Ca -0.22 -3.24 -0.08 0.00 1.68 0.00 0.00 54.58 52.72 2ed9 n ASN 41 Cb 0.84 1.57 0.07 0.00 -1.54 0.00 0.00 39.78 40.72 2ed9 n ASN 41 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2ed9 h SER 42 N 2.00 0.87 -0.39 6.41 4.64 -1.93 -3.18 113.55 121.98 2ed9 h SER 42 Ca -0.26 -0.29 -0.28 0.00 -0.47 0.00 0.00 61.79 60.49 2ed9 h SER 42 Cb 1.23 -0.24 -0.21 0.00 -0.31 0.00 0.00 62.40 62.87 2ed9 h SER 42 CO 0.38 1.02 -0.60 -2.11 -0.87 0.00 0.00 176.83 174.65 2ed9 n ARG 43 N -4.14 2.57 -3.70 4.77 1.85 -1.26 -4.53 116.66 112.23 2ed9 n ARG 43 Ca 0.01 -3.71 -0.11 0.00 -1.00 0.00 0.00 57.85 53.04 2ed9 n ARG 43 Cb 0.40 -1.95 -0.10 0.00 -1.05 0.00 0.00 32.46 29.76 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 -3.35 -0.54 -0.09 2.89 0.01 -1.20 -0.99 113.70 110.43 2ed9 s SER 44 Ca 0.45 0.95 -0.06 0.00 1.31 0.00 0.00 55.95 58.60 2ed9 s SER 44 Cb 0.39 0.87 0.04 0.00 0.21 0.00 0.00 66.02 67.53 2ed9 s SER 44 CO -0.01 -0.19 0.23 -0.63 0.41 0.00 0.00 173.24 173.05 2ed9 s ILE 45 N 1.07 -0.03 -0.22 1.44 1.01 -0.83 -1.75 121.20 121.89 2ed9 s ILE 45 Ca -0.07 0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.61 2ed9 s ILE 45 Cb -0.07 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 2ed9 s ILE 45 CO -0.09 0.04 0.06 -0.75 0.00 0.00 0.00 174.94 174.20 2ed9 s LYS 46 N 0.86 3.75 -0.22 2.79 2.20 -1.17 -0.89 119.74 127.06 2ed9 s LYS 46 Ca -0.06 -0.44 -0.06 0.00 -0.36 0.00 0.00 55.97 55.05 2ed9 s LYS 46 Cb -0.07 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 2ed9 s LYS 46 CO -0.05 -0.03 0.02 0.08 -0.36 0.00 0.00 175.35 175.01 2ed9 s VAL 47 N 1.18 4.01 0.36 4.02 1.01 -0.90 -3.70 120.40 126.39 2ed9 s VAL 47 Ca 0.04 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.82 2ed9 s VAL 47 Cb -0.14 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2ed9 s VAL 47 CO 0.03 0.39 0.23 -0.94 0.00 0.00 0.00 175.10 174.82 2ed9 s SER 48 N 1.30 4.91 0.01 3.32 1.04 -1.25 -1.89 113.70 121.13 2ed9 s SER 48 Ca 0.04 -0.70 -0.29 0.00 0.48 0.00 0.00 55.95 55.47 2ed9 s SER 48 Cb -0.15 -0.76 0.11 0.00 0.10 0.00 0.00 66.02 65.32 2ed9 s SER 48 CO 0.02 -0.39 1.25 -1.66 0.98 0.00 0.00 173.24 173.43 2ed9 s TRP 49 N -2.41 -0.04 0.05 5.02 -2.14 -1.06 -4.02 118.94 114.34 2ed9 s TRP 49 Ca 0.41 -0.09 -0.06 0.00 2.66 0.00 0.00 56.10 59.02 2ed9 s TRP 49 Cb -0.03 0.56 -0.01 0.00 -3.10 0.00 0.00 33.47 30.89 2ed9 s TRP 49 CO 0.25 -0.35 0.11 -0.51 -2.66 0.00 0.00 176.95 173.79 2ed9 s LEU 50 N -3.06 1.76 0.87 -4.66 1.43 -0.02 -4.82 118.68 110.17 2ed9 s LEU 50 Ca 0.16 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 2ed9 s LEU 50 Cb 0.04 0.68 0.11 0.00 0.03 0.00 0.00 46.19 47.05 2ed9 s LEU 50 CO -0.03 -0.57 1.09 -2.16 0.23 0.00 0.00 176.35 174.91 2ed9 s PRO 51 N -3.05 1.46 1.01 1.29 0.04 -1.26 -2.26 135.00 132.24 2ed9 s PRO 51 Ca -0.01 0.89 -0.13 0.00 0.04 0.00 0.00 61.00 61.80 2ed9 s PRO 51 Cb 0.01 -1.83 0.20 0.00 0.04 0.00 0.00 34.50 32.92 2ed9 s PRO 51 CO -0.07 -2.12 1.09 -1.25 0.04 0.00 0.00 177.00 174.70 2ed9 s PRO 52 N -4.93 0.31 0.69 0.56 0.04 -1.26 -4.33 135.00 126.09 2ed9 s PRO 52 Ca 0.63 0.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.01 2ed9 s PRO 52 Cb -0.18 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.65 2ed9 s PRO 52 CO 0.57 -2.81 1.10 -1.25 0.04 0.00 0.00 177.00 174.66 2ed9 s PRO 53 N -4.97 2.64 -1.07 0.56 0.04 -1.26 -4.89 135.00 126.05 2ed9 s PRO 53 Ca 0.66 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.95 2ed9 s PRO 53 Cb -0.19 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2ed9 s PRO 53 CO 0.58 -1.37 2.58 -1.13 0.04 0.00 0.00 177.00 177.70 2ed9 n SER 54 N -2.74 6.39 0.00 6.66 3.41 -1.26 -3.18 113.62 122.90 2ed9 n SER 54 Ca 0.10 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 2ed9 n SER 54 Cb 0.52 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 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 3.52 0.17 0.09 5.00 0.00 -1.26 -4.98 105.19 107.73 2ed9 n GLY 55 Ca 0.57 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 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 0.92 -3.21 2.61 1.35 -1.94 -3.46 112.91 109.18 2ed9 h THR 56 Ca 0.00 -2.02 -0.53 0.00 -0.55 0.00 0.00 66.41 63.31 2ed9 h THR 56 Cb 0.00 2.07 0.03 0.00 -1.73 0.00 0.00 68.15 68.52 2ed9 h THR 56 CO 0.00 0.31 0.68 0.00 -0.25 0.00 0.00 175.52 176.26 2ed9 s GLN 57 N -2.29 4.36 -0.24 4.72 -2.07 -1.25 -4.35 119.66 118.54 2ed9 s GLN 57 Ca -0.24 2.05 -0.17 0.00 -1.82 0.00 0.00 55.36 55.17 2ed9 s GLN 57 Cb 0.04 -3.22 -0.15 0.00 -1.09 0.00 0.00 33.01 28.59 2ed9 s GLN 57 CO 0.54 -0.33 -0.10 -1.71 -1.32 0.00 0.00 175.29 172.37 2ed9 n ASN 58 N 3.25 1.91 -4.82 12.60 5.15 -1.26 -4.94 115.26 127.15 2ed9 n ASN 58 Ca 0.09 0.39 -0.35 0.00 -0.60 0.00 0.00 54.58 54.10 2ed9 n ASN 58 Cb 0.43 -0.88 -0.06 0.00 -0.53 0.00 0.00 39.78 38.73 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 -5.16 2.55 -0.35 8.20 0.00 -1.26 -4.96 107.32 106.33 2ed9 s GLY 59 Ca -0.33 0.26 -0.27 0.00 0.00 0.00 0.00 44.72 44.37 2ed9 s GLY 59 CO 0.52 0.58 2.21 -0.11 0.00 0.00 0.00 173.10 176.31 2ed9 s PHE 60 N -1.76 1.24 -0.34 1.90 -0.71 -1.26 -4.55 117.98 112.50 2ed9 s PHE 60 Ca 0.50 0.93 -0.35 0.00 -1.04 0.00 0.00 56.93 56.97 2ed9 s PHE 60 Cb -0.14 -3.84 -0.15 0.00 -1.21 0.00 0.00 43.02 37.68 2ed9 s PHE 60 CO 0.19 -3.29 1.18 -0.89 -1.34 0.00 0.00 175.22 171.08 2ed9 n ILE 61 N 7.77 0.00 -0.11 -4.49 2.08 -1.26 -4.41 119.36 118.95 2ed9 n ILE 61 Ca 0.31 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.38 2ed9 n ILE 61 Cb 0.49 -0.34 -0.11 0.00 -0.75 0.00 0.00 39.64 38.93 2ed9 n ILE 61 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2ed9 n THR 62 N 2.83 1.56 -2.34 1.39 -2.24 -0.86 -5.01 114.28 109.61 2ed9 n THR 62 Ca 0.23 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2ed9 n THR 62 Cb -0.03 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.39 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 1.62 3.78 3.18 3.38 0.00 -1.24 -4.91 105.19 111.00 2ed9 n GLY 63 Ca -0.44 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.28 -0.23 -0.07 1.61 1.51 -1.26 -2.62 117.35 114.01 2ed9 s TYR 64 Ca 0.00 0.51 -0.07 0.00 -1.01 0.00 0.00 57.07 56.50 2ed9 s TYR 64 Cb 0.00 0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.89 2ed9 s TYR 64 CO 0.00 -0.23 0.19 0.21 -1.11 0.00 0.00 175.55 174.61 2ed9 s LYS 65 N -0.45 3.51 -0.07 -0.62 2.20 -0.78 -3.80 119.74 119.73 2ed9 s LYS 65 Ca -0.06 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.47 2ed9 s LYS 65 Cb -0.04 -3.16 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 2ed9 s LYS 65 CO 0.02 0.74 -0.08 0.42 -0.36 0.00 0.00 175.35 176.09 2ed9 s ILE 66 N -1.12 0.85 -0.18 5.43 1.01 0.76 -2.26 121.20 125.69 2ed9 s ILE 66 Ca 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 2ed9 s ILE 66 Cb -0.13 -0.83 0.05 0.00 0.01 0.00 0.00 42.46 41.56 2ed9 s ILE 66 CO 0.09 0.30 -0.05 -0.13 0.00 0.00 0.00 174.94 175.15 2ed9 s ARG 67 N 1.01 1.42 0.04 2.79 0.52 -1.15 -0.53 118.95 123.06 2ed9 s ARG 67 Ca -0.09 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 2ed9 s ARG 67 Cb -0.14 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 2ed9 s ARG 67 CO -0.00 -0.47 0.13 -3.38 0.02 0.00 0.00 175.30 171.60 2ed9 s HIS 68 N 1.61 3.35 0.08 -0.53 -3.43 -1.18 -2.81 115.29 112.38 2ed9 s HIS 68 Ca -0.00 0.19 0.08 0.00 -0.80 0.00 0.00 55.06 54.53 2ed9 s HIS 68 Cb -0.16 -1.71 -0.03 0.00 -1.43 0.00 0.00 32.58 29.25 2ed9 s HIS 68 CO -0.08 0.56 -0.21 1.03 -2.00 0.00 0.00 174.74 174.05 2ed9 s ARG 69 N -2.23 1.22 0.06 -0.38 0.52 0.58 -3.53 118.95 115.19 2ed9 s ARG 69 Ca 0.29 -1.07 0.09 0.00 -0.52 0.00 0.00 55.73 54.53 2ed9 s ARG 69 Cb -0.12 -1.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.89 2ed9 s ARG 69 CO 0.22 0.34 -0.24 0.21 0.02 0.00 0.00 175.30 175.85 2ed9 s LYS 70 N -1.61 1.79 -1.03 3.54 2.36 -1.26 -2.23 119.74 121.30 2ed9 s LYS 70 Ca 0.07 -1.13 -0.14 0.00 -2.55 0.00 0.00 55.97 52.22 2ed9 s LYS 70 Cb -0.09 -2.01 -0.08 0.00 -1.05 0.00 0.00 37.83 34.59 2ed9 s LYS 70 CO 0.03 0.51 2.15 -2.37 1.55 0.00 0.00 175.35 177.21 2ed9 n THR 71 N 1.54 2.56 -3.76 3.43 5.66 -1.19 -4.78 114.28 117.74 2ed9 n THR 71 Ca -0.17 -1.89 -0.08 0.00 -3.05 0.00 0.00 64.05 58.86 2ed9 n THR 71 Cb 0.52 -2.34 -0.02 0.00 -1.55 0.00 0.00 70.33 66.94 2ed9 n THR 71 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2ed9 s THR 72 N 3.88 0.00 0.31 1.09 2.01 -1.26 -5.01 115.64 116.66 2ed9 s THR 72 Ca 0.51 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 2ed9 s THR 72 Cb 0.13 -1.77 -0.13 0.00 0.01 0.00 0.00 72.50 70.74 2ed9 s THR 72 CO 0.01 -0.00 0.10 0.54 -0.69 0.00 0.00 174.62 174.58 2ed9 n ARG 73 N -0.44 0.00 -1.03 4.92 1.74 -1.26 -4.62 116.66 115.97 2ed9 n ARG 73 Ca -0.07 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.64 2ed9 n ARG 73 Cb 0.60 -0.81 -0.03 0.00 -1.02 0.00 0.00 32.46 31.20 2ed9 n ARG 73 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2ed9 n ARG 74 N 1.06 0.00 0.00 5.56 1.85 -1.26 -4.80 116.66 119.07 2ed9 n ARG 74 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2ed9 n ARG 74 Cb 0.31 -0.82 0.00 0.00 -1.05 0.00 0.00 32.46 30.91 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 1.35 0.00 2.07 2.89 0.00 -1.26 -5.17 105.19 105.06 2ed9 n GLY 75 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 2ed9 n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ed9 n GLU 76 N 0.00 -2.94 -3.65 1.61 1.02 -1.26 -4.90 120.64 110.53 2ed9 n GLU 76 Ca 0.00 -1.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.07 2ed9 n GLU 76 Cb 0.00 -1.07 -0.07 0.00 -0.02 0.00 0.00 31.44 30.28 2ed9 n GLU 76 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2ed9 s MET 77 N -4.42 0.64 0.01 3.49 -1.94 -1.23 -5.09 119.30 110.76 2ed9 s MET 77 Ca 0.43 1.20 -0.03 0.00 -1.71 0.00 0.00 55.69 55.58 2ed9 s MET 77 Cb -0.06 0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.98 2ed9 s MET 77 CO 0.34 -0.16 0.21 -1.21 -0.01 0.00 0.00 175.02 174.18 2ed9 s GLU 78 N 1.82 3.46 -0.09 2.03 8.01 -1.26 -3.12 118.70 129.56 2ed9 s GLU 78 Ca -0.09 -0.30 -0.30 0.00 0.01 0.00 0.00 54.97 54.29 2ed9 s GLU 78 Cb -0.07 -3.07 0.08 0.00 -4.31 0.00 0.00 34.13 26.75 2ed9 s GLU 78 CO -0.19 0.65 0.72 0.99 0.01 0.00 0.00 175.26 177.44 2ed9 s THR 79 N -1.37 0.00 0.02 3.63 2.01 0.30 -5.02 115.64 115.21 2ed9 s THR 79 Ca 0.29 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.30 2ed9 s THR 79 Cb -0.13 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 2ed9 s THR 79 CO 0.20 0.00 -0.04 -1.48 -0.69 0.00 0.00 174.62 172.61 2ed9 s LEU 80 N -0.98 2.15 -0.29 4.42 0.05 -1.26 -0.17 118.68 122.60 2ed9 s LEU 80 Ca -0.09 -0.34 -0.02 0.00 0.05 0.00 0.00 54.13 53.74 2ed9 s LEU 80 Cb -0.01 -0.08 0.09 0.00 -2.05 0.00 0.00 46.19 44.15 2ed9 s LEU 80 CO 0.08 -0.14 0.09 -0.70 -0.55 0.00 0.00 176.35 175.14 2ed9 s GLU 81 N -0.95 0.59 0.51 1.48 2.12 -1.25 -4.99 118.70 116.21 2ed9 s GLU 81 Ca -0.07 -0.85 0.29 0.00 0.36 0.00 0.00 54.97 54.70 2ed9 s GLU 81 Cb -0.06 -1.82 1.23 0.00 0.26 0.00 0.00 34.13 33.73 2ed9 s GLU 81 CO -0.00 -0.94 1.94 -1.00 -0.54 0.00 0.00 175.26 174.72 2ed9 h PRO 82 N 8.18 0.00 0.00 4.30 0.13 -1.91 -3.34 132.00 139.37 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 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2ed9 h PRO 82 CO 0.44 0.11 0.00 0.09 -0.23 0.00 0.00 178.00 178.41 2ed9 n ASN 83 N -3.28 0.00 -4.24 1.44 3.02 -1.26 -4.86 115.26 106.08 2ed9 n ASN 83 Ca -0.00 0.78 -0.29 0.00 -0.03 0.00 0.00 54.58 55.04 2ed9 n ASN 83 Cb 0.34 -0.28 -0.07 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.80 2.10 -2.37 6.41 3.02 -1.25 -5.05 115.26 116.33 2ed9 n ASN 84 Ca 0.00 -3.23 -0.33 0.00 -0.03 0.00 0.00 54.58 50.99 2ed9 n ASN 84 Cb 0.00 0.78 0.06 0.00 -0.61 0.00 0.00 39.78 40.01 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 7.47 -3.69 3.41 4.77 -1.26 -4.83 117.00 122.88 2ed9 n LEU 85 Ca -0.12 -4.24 -0.14 0.00 -0.03 0.00 0.00 56.01 51.49 2ed9 n LEU 85 Cb 0.64 -1.02 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 2ed9 n LEU 85 CO 0.34 1.49 0.23 -1.66 -1.33 0.00 0.00 177.39 176.47 2ed9 s TRP 86 N -3.51 -0.60 -0.05 -1.77 1.48 -1.26 -2.57 118.94 110.66 2ed9 s TRP 86 Ca 0.58 1.45 -0.02 0.00 -1.06 0.00 0.00 56.10 57.05 2ed9 s TRP 86 Cb 0.46 0.21 0.03 0.00 -1.16 0.00 0.00 33.47 33.00 2ed9 s TRP 86 CO -0.08 -0.30 0.04 -0.47 -4.06 0.00 0.00 176.95 172.08 2ed9 s TYR 87 N 0.24 0.28 -0.28 1.66 6.14 -0.79 -4.98 117.35 119.62 2ed9 s TYR 87 Ca -0.00 0.11 -0.14 0.00 0.64 0.00 0.00 57.07 57.67 2ed9 s TYR 87 Cb -0.04 -0.59 -0.04 0.00 0.42 0.00 0.00 41.96 41.71 2ed9 s TYR 87 CO 0.01 -0.24 0.34 -1.17 0.64 0.00 0.00 175.55 175.13 2ed9 s LEU 88 N 2.08 4.06 -0.35 6.97 2.96 -1.26 -2.11 118.68 131.02 2ed9 s LEU 88 Ca 0.05 0.20 -0.13 0.00 -0.22 0.00 0.00 54.13 54.03 2ed9 s LEU 88 Cb -0.12 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 2ed9 s LEU 88 CO -0.04 -0.17 0.24 -0.36 -1.32 0.00 0.00 176.35 174.71 2ed9 s PHE 89 N 2.01 3.23 -0.02 5.38 0.40 -0.07 -4.93 117.98 123.98 2ed9 s PHE 89 Ca 0.13 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 2ed9 s PHE 89 Cb -0.16 -2.49 -0.02 0.00 0.51 0.00 0.00 43.02 40.86 2ed9 s PHE 89 CO 0.10 -0.43 -0.21 0.95 0.70 0.00 0.00 175.22 176.33 2ed9 s THR 90 N 1.70 2.45 0.00 0.64 -4.23 -1.26 -1.97 115.64 112.97 2ed9 s THR 90 Ca 0.06 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 2ed9 s THR 90 Cb -0.18 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.75 2ed9 s THR 90 CO 0.10 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 2ed9 n GLY 91 N 2.31 1.30 2.09 3.99 0.00 -0.16 -5.00 105.19 109.72 2ed9 n GLY 91 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 2ed9 n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ed9 n LEU 92 N 0.00 0.00 0.00 0.99 4.77 -1.24 -5.06 117.00 116.46 2ed9 n LEU 92 Ca 0.00 -0.75 -0.26 0.00 -0.03 0.00 0.00 56.01 54.97 2ed9 n LEU 92 Cb 0.00 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 2ed9 n LEU 92 CO 0.00 -1.32 -0.02 -0.62 -1.33 0.00 0.00 177.39 174.09 2ed9 n GLU 93 N -2.96 0.78 -3.26 3.23 4.71 -1.26 -4.63 120.64 117.25 2ed9 n GLU 93 Ca 0.09 -3.23 -0.23 0.00 -0.01 0.00 0.00 57.16 53.78 2ed9 n GLU 93 Cb 0.33 0.51 -0.00 0.00 -1.01 0.00 0.00 31.44 31.27 2ed9 n GLU 93 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 2ed9 s LYS 94 N -3.95 3.31 -1.73 3.49 -2.85 -1.26 -4.38 119.74 112.37 2ed9 s LYS 94 Ca 0.20 -0.45 -0.17 0.00 -1.00 0.00 0.00 55.97 54.56 2ed9 s LYS 94 Cb -0.02 -2.64 0.16 0.00 -2.06 0.00 0.00 37.83 33.27 2ed9 s LYS 94 CO 0.13 0.00 0.56 0.41 0.10 0.00 0.00 175.35 176.55 2ed9 n GLY 95 N -1.87 -0.36 3.80 0.59 0.00 -1.26 -4.92 105.19 101.16 2ed9 n GLY 95 Ca -0.02 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2ed9 n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ed9 s SER 96 N -3.53 4.21 -0.04 1.61 1.04 -1.26 -5.02 113.70 110.71 2ed9 s SER 96 Ca 0.61 -1.66 -0.00 0.00 0.48 0.00 0.00 55.95 55.38 2ed9 s SER 96 Cb -0.35 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.45 2ed9 s SER 96 CO 0.98 -0.94 0.01 -1.58 0.98 0.00 0.00 173.24 172.69 2ed9 s GLN 97 N -3.94 0.34 0.04 4.02 0.74 -1.26 -3.42 119.66 116.18 2ed9 s GLN 97 Ca 0.04 0.11 0.05 0.00 0.05 0.00 0.00 55.36 55.62 2ed9 s GLN 97 Cb 0.00 -0.60 -0.02 0.00 1.10 0.00 0.00 33.01 33.49 2ed9 s GLN 97 CO 0.03 -0.19 -0.15 0.71 -0.55 0.00 0.00 175.29 175.14 2ed9 s TYR 98 N 1.33 1.34 0.10 1.67 1.51 -0.96 -3.19 117.35 119.14 2ed9 s TYR 98 Ca -0.05 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.72 2ed9 s TYR 98 Cb -0.13 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 2ed9 s TYR 98 CO -0.02 0.05 -0.21 -1.12 -1.11 0.00 0.00 175.55 173.14 2ed9 s SER 99 N -1.22 2.49 0.31 2.29 0.01 -0.95 -1.45 113.70 115.19 2ed9 s SER 99 Ca 0.02 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.64 2ed9 s SER 99 Cb -0.08 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 2ed9 s SER 99 CO 0.02 0.06 0.14 -0.36 0.41 0.00 0.00 173.24 173.51 2ed9 s PHE 100 N -1.14 1.63 -0.28 2.43 0.40 -0.97 -0.31 117.98 119.75 2ed9 s PHE 100 Ca 0.06 -1.32 -0.20 0.00 -0.60 0.00 0.00 56.93 54.88 2ed9 s PHE 100 Cb -0.10 -0.92 0.10 0.00 0.51 0.00 0.00 43.02 42.62 2ed9 s PHE 100 CO 0.04 -0.45 0.84 1.14 0.70 0.00 0.00 175.22 177.49 2ed9 s GLN 101 N -3.83 0.61 -0.06 0.44 -2.07 -1.12 -3.43 119.66 110.20 2ed9 s GLN 101 Ca 0.35 0.91 -0.01 0.00 -1.82 0.00 0.00 55.36 54.79 2ed9 s GLN 101 Cb 0.05 0.20 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 2ed9 s GLN 101 CO 0.17 -0.10 -0.00 0.08 -1.32 0.00 0.00 175.29 174.11 2ed9 s VAL 102 N 1.02 4.23 -0.04 3.63 1.01 -1.26 -2.93 120.40 126.06 2ed9 s VAL 102 Ca -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2ed9 s VAL 102 Cb -0.05 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.55 2ed9 s VAL 102 CO -0.12 0.54 -0.02 -0.44 0.00 0.00 0.00 175.10 175.07 2ed9 s SER 103 N -1.08 0.67 0.18 3.32 0.01 -0.96 -3.48 113.70 112.37 2ed9 s SER 103 Ca 0.15 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.04 2ed9 s SER 103 Cb -0.11 -0.31 -0.08 0.00 0.21 0.00 0.00 66.02 65.72 2ed9 s SER 103 CO 0.05 -0.09 1.29 0.00 0.41 0.00 0.00 173.24 174.90 2ed9 s ALA 104 N 1.03 3.51 -0.15 1.44 0.00 -1.26 -1.87 121.76 124.46 2ed9 s ALA 104 Ca -0.10 1.06 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2ed9 s ALA 104 Cb -0.14 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 2ed9 s ALA 104 CO -0.01 -0.51 -0.15 -1.64 0.00 0.00 0.00 175.76 173.45 2ed9 s MET 105 N 0.07 3.26 0.45 0.00 -1.94 -1.08 0.72 119.30 120.78 2ed9 s MET 105 Ca 0.57 -0.73 0.04 0.00 -1.71 0.00 0.00 55.69 53.85 2ed9 s MET 105 Cb -0.35 -2.63 0.04 0.00 2.01 0.00 0.00 34.83 33.90 2ed9 s MET 105 CO 0.36 0.06 0.33 0.25 -0.01 0.00 0.00 175.02 176.02 2ed9 n THR 106 N 3.93 0.00 0.29 2.05 -2.24 -0.41 -2.03 114.28 115.87 2ed9 n THR 106 Ca -0.19 -1.82 0.16 0.00 -2.27 0.00 0.00 64.05 59.94 2ed9 n THR 106 Cb 0.52 -0.09 0.86 0.00 -2.10 0.00 0.00 70.33 69.52 2ed9 n THR 106 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2ed9 h VAL 107 N 0.66 0.33 0.00 2.28 -1.51 -1.80 -3.21 116.25 113.00 2ed9 h VAL 107 Ca -0.29 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2ed9 h VAL 107 Cb 1.06 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 2ed9 h VAL 107 CO 0.46 0.06 -0.05 -1.13 -1.23 0.00 0.00 177.57 175.68 2ed9 h ASN 108 N 0.00 0.00 0.00 4.19 -0.73 -1.95 -3.51 115.58 113.58 2ed9 h ASN 108 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2ed9 h ASN 108 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2ed9 h ASN 108 CO 0.01 0.35 0.00 0.61 -0.37 0.00 0.00 177.43 178.03 2ed9 n GLY 109 N 1.83 2.40 3.79 1.57 0.00 -1.21 -5.03 105.19 108.54 2ed9 n GLY 109 Ca -0.01 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.56 4.48 0.72 2.61 2.01 -1.26 -1.28 115.64 120.35 2ed9 s THR 110 Ca 0.00 1.50 -0.01 0.00 0.31 0.00 0.00 61.69 63.48 2ed9 s THR 110 Cb 0.00 -4.00 0.12 0.00 0.01 0.00 0.00 72.50 68.63 2ed9 s THR 110 CO 0.00 0.40 0.99 -0.83 -0.69 0.00 0.00 174.62 174.49 2ed9 s GLY 111 N -1.34 1.76 0.18 4.40 0.00 0.22 -4.85 107.32 107.69 2ed9 s GLY 111 Ca 0.38 -1.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 2ed9 s GLY 111 CO 0.23 -1.10 1.31 2.56 0.00 0.00 0.00 173.10 176.11 2ed9 s PRO 112 N -5.15 4.38 1.05 2.90 0.04 -1.26 -4.60 135.00 132.36 2ed9 s PRO 112 Ca 0.66 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.60 2ed9 s PRO 112 Cb -0.06 -3.21 0.21 0.00 0.04 0.00 0.00 34.50 31.49 2ed9 s PRO 112 CO 0.44 -0.28 1.10 -1.25 0.04 0.00 0.00 177.00 177.05 2ed9 s PRO 113 N 0.10 0.04 0.52 0.56 0.04 -1.26 -4.36 135.00 130.64 2ed9 s PRO 113 Ca 0.58 0.39 0.04 0.00 0.04 0.00 0.00 61.00 62.04 2ed9 s PRO 113 Cb -0.36 -1.70 0.04 0.00 0.04 0.00 0.00 34.50 32.52 2ed9 s PRO 113 CO 0.37 -2.97 0.33 -1.13 0.04 0.00 0.00 177.00 173.64 2ed9 n SER 114 N -4.32 2.79 -4.46 6.66 3.41 -1.23 -4.77 113.62 111.70 2ed9 n SER 114 Ca 0.06 -2.86 -0.40 0.00 -0.26 0.00 0.00 58.87 55.41 2ed9 n SER 114 Cb 0.58 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.75 -0.92 -4.53 4.04 4.13 -1.26 -4.83 115.26 110.14 2ed9 n ASN 115 Ca -0.05 0.85 -0.42 0.00 1.68 0.00 0.00 54.58 56.64 2ed9 n ASN 115 Cb 0.60 -1.14 -0.03 0.00 -1.54 0.00 0.00 39.78 37.67 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 -1.57 2.61 -0.03 3.10 0.52 -1.26 -4.85 118.94 117.46 2ed9 s TRP 116 Ca 0.65 -0.82 -0.30 0.00 0.02 0.00 0.00 56.10 55.65 2ed9 s TRP 116 Cb -0.54 -4.60 -0.03 0.00 -1.15 0.00 0.00 33.47 27.15 2ed9 s TRP 116 CO 0.57 -1.86 1.15 0.71 0.02 0.00 0.00 176.95 177.53 2ed9 s TYR 117 N 4.62 3.34 0.10 -1.98 1.51 -1.22 -4.93 117.35 118.80 2ed9 s TYR 117 Ca 0.41 1.34 0.05 0.00 -1.01 0.00 0.00 57.07 57.87 2ed9 s TYR 117 Cb -0.03 -3.35 -0.04 0.00 -0.11 0.00 0.00 41.96 38.43 2ed9 s TYR 117 CO -0.06 -0.99 0.00 0.99 -1.11 0.00 0.00 175.55 174.38 2ed9 s THR 118 N 1.80 4.00 -0.05 -0.71 2.01 -1.26 -2.29 115.64 119.14 2ed9 s THR 118 Ca 0.55 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.45 2ed9 s THR 118 Cb -0.24 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.36 2ed9 s THR 118 CO 0.24 0.08 0.14 0.00 -0.69 0.00 0.00 174.62 174.39 2ed9 s ALA 119 N -1.38 -0.36 0.03 7.40 0.00 -0.53 -5.01 121.76 121.92 2ed9 s ALA 119 Ca 0.26 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.63 2ed9 s ALA 119 Cb -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2ed9 s ALA 119 CO 0.19 -0.08 -0.07 -1.21 0.00 0.00 0.00 175.76 174.58 2ed9 s GLU 120 N -0.05 2.45 0.29 0.00 2.02 -1.26 -2.27 118.70 119.88 2ed9 s GLU 120 Ca -0.01 -0.80 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 2ed9 s GLU 120 Cb -0.02 -2.45 -0.09 0.00 0.10 0.00 0.00 34.13 31.67 2ed9 s GLU 120 CO 0.00 0.58 0.72 0.95 0.02 0.00 0.00 175.26 177.53 2ed9 s THR 121 N -1.07 4.67 -0.33 3.63 -4.23 -1.22 -4.91 115.64 112.18 2ed9 s THR 121 Ca 0.19 1.00 -0.29 0.00 -1.18 0.00 0.00 61.69 61.42 2ed9 s THR 121 Cb -0.11 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 2ed9 s THR 121 CO 0.10 -0.09 1.69 -2.16 -0.54 0.00 0.00 174.62 173.62 2ed9 s PRO 122 N -2.74 3.46 0.26 3.99 0.04 -1.26 -4.42 135.00 134.33 2ed9 s PRO 122 Ca 0.51 1.36 0.08 0.00 0.04 0.00 0.00 61.00 62.99 2ed9 s PRO 122 Cb -0.12 -4.14 0.80 0.00 0.04 0.00 0.00 34.50 31.08 2ed9 s PRO 122 CO 0.18 -1.71 1.23 0.39 0.04 0.00 0.00 177.00 177.13 2ed9 n GLU 123 N 8.25 -0.06 0.00 4.56 1.02 -1.26 -4.76 120.64 128.39 2ed9 n GLU 123 Ca 0.21 1.13 0.08 0.00 -0.02 0.00 0.00 57.16 58.57 2ed9 n GLU 123 Cb 0.47 -1.90 0.07 0.00 -0.02 0.00 0.00 31.44 30.06 2ed9 n GLU 123 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40