#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edy h SER 2 N 0.00 -0.38 0.78 1.61 0.02 -1.99 -1.77 113.55 111.82 2edy h SER 2 Ca 0.00 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 2edy h SER 2 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2edy h SER 2 CO 0.00 -0.11 -0.40 0.28 -1.14 0.00 0.00 176.83 175.46 2edy h SER 3 N -0.65 -0.97 -0.55 3.07 0.02 -2.03 -3.10 113.55 109.35 2edy h SER 3 Ca -0.05 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 2edy h SER 3 Cb 0.46 0.26 -0.11 0.00 0.14 0.00 0.00 62.40 63.15 2edy h SER 3 CO 0.07 -0.66 -0.27 1.23 -1.14 0.00 0.00 176.83 176.06 2edy h GLY 4 N -1.08 0.05 -5.20 -3.77 0.00 -2.00 -3.42 103.07 87.64 2edy h GLY 4 Ca -0.10 0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.64 2edy h GLY 4 CO 0.16 -0.22 0.06 -1.35 0.00 0.00 0.00 176.54 175.18 2edy s SER 5 N -5.16 -0.90 -0.07 0.19 1.04 -0.67 -4.97 113.70 103.16 2edy s SER 5 Ca -0.14 1.35 -0.11 0.00 0.48 0.00 0.00 55.95 57.53 2edy s SER 5 Cb 0.16 1.63 -0.04 0.00 0.10 0.00 0.00 66.02 67.88 2edy s SER 5 CO 0.70 -0.20 -0.21 -1.20 0.98 0.00 0.00 173.24 173.31 2edy n SER 6 N 4.58 1.58 -1.48 7.02 7.64 -1.20 -4.24 113.62 127.52 2edy n SER 6 Ca -0.17 0.25 0.18 0.00 1.01 0.00 0.00 58.87 60.14 2edy n SER 6 Cb 0.55 -0.57 -0.09 0.00 -1.01 0.00 0.00 64.21 63.09 2edy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edy n GLY 7 N 2.27 -3.28 3.73 0.23 0.00 -1.26 -4.87 105.19 102.01 2edy n GLY 7 Ca -0.10 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2edy n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edy s PRO 8 N -4.15 1.42 0.00 1.61 0.04 -1.26 -4.85 135.00 127.81 2edy s PRO 8 Ca 0.00 0.87 0.02 0.00 0.04 0.00 0.00 61.00 61.93 2edy s PRO 8 Cb 0.00 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.76 2edy s PRO 8 CO 0.00 -2.15 0.90 0.45 0.04 0.00 0.00 177.00 176.25 2edy n SER 9 N -3.82 1.87 -4.23 6.66 2.88 -1.26 -3.93 113.62 111.78 2edy n SER 9 Ca 0.07 -1.72 -0.16 0.00 -1.33 0.00 0.00 58.87 55.73 2edy n SER 9 Cb 0.55 -0.03 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 2edy n SER 9 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2edy s GLY 10 N -0.75 1.03 0.19 0.46 0.00 -1.26 -4.84 107.32 102.15 2edy s GLY 10 Ca 0.04 -1.32 0.09 0.00 0.00 0.00 0.00 44.72 43.53 2edy s GLY 10 CO 0.03 -1.39 -0.07 -0.11 0.00 0.00 0.00 173.10 171.56 2edy s PHE 11 N -2.46 2.66 1.05 1.90 -0.71 -1.26 -4.66 117.98 114.50 2edy s PHE 11 Ca 0.10 -0.21 -0.14 0.00 -1.04 0.00 0.00 56.93 55.64 2edy s PHE 11 Cb -0.03 -1.28 0.22 0.00 -1.21 0.00 0.00 43.02 40.72 2edy s PHE 11 CO 0.02 0.53 1.10 -1.25 -1.34 0.00 0.00 175.22 174.28 2edy s PRO 12 N -2.97 -0.00 0.39 1.99 0.04 -1.26 -4.66 135.00 128.52 2edy s PRO 12 Ca 0.26 0.37 0.04 0.00 0.04 0.00 0.00 61.00 61.70 2edy s PRO 12 Cb -0.08 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 2edy s PRO 12 CO 0.16 -2.99 0.13 1.04 0.04 0.00 0.00 177.00 175.38 2edy n GLN 13 N -4.33 0.61 -2.22 4.56 1.13 -1.11 -4.83 117.38 111.19 2edy n GLN 13 Ca 0.07 -3.27 -0.17 0.00 -1.94 0.00 0.00 57.00 51.69 2edy n GLN 13 Cb 0.58 1.74 -0.02 0.00 0.11 0.00 0.00 30.24 32.65 2edy n GLN 13 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2edy n ASN 14 N -1.54 -5.06 -4.63 1.08 5.03 -1.26 0.00 115.26 108.88 2edy n ASN 14 Ca -0.06 0.04 -0.43 0.00 0.87 0.00 0.00 54.58 55.00 2edy n ASN 14 Cb 0.58 -4.14 -0.02 0.00 -1.02 0.00 0.00 39.78 35.17 2edy n ASN 14 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2edy s LEU 15 N -4.82 3.90 0.20 3.41 2.96 -1.26 -3.79 118.68 119.29 2edy s LEU 15 Ca 0.00 1.19 -0.22 0.00 -0.22 0.00 0.00 54.13 54.88 2edy s LEU 15 Cb 0.00 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.22 2edy s LEU 15 CO 0.00 -1.02 1.01 -1.38 -1.32 0.00 0.00 176.35 173.64 2edy s HIS 16 N 4.18 0.06 -0.19 5.38 -3.43 -1.18 -4.96 115.29 115.15 2edy s HIS 16 Ca 0.54 -0.48 -0.07 0.00 -0.80 0.00 0.00 55.06 54.24 2edy s HIS 16 Cb -0.16 0.71 -0.04 0.00 -1.43 0.00 0.00 32.58 31.66 2edy s HIS 16 CO 0.21 -0.98 0.06 0.08 -2.00 0.00 0.00 174.74 172.11 2edy s VAL 17 N -2.26 4.67 -0.53 -5.38 1.01 -1.26 -0.35 120.40 116.30 2edy s VAL 17 Ca 0.21 -0.07 0.24 0.00 0.00 0.00 0.00 61.98 62.35 2edy s VAL 17 Cb -0.03 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.28 2edy s VAL 17 CO 0.06 0.44 1.25 0.00 0.00 0.00 0.00 175.10 176.85 2edy h THR 18 N 5.00 0.00 -0.20 3.92 1.03 -1.83 -3.44 112.91 117.40 2edy h THR 18 Ca -0.36 -0.63 -0.01 0.00 -0.01 0.00 0.00 66.41 65.39 2edy h THR 18 Cb 1.17 1.20 -0.15 0.00 -1.07 0.00 0.00 68.15 69.30 2edy h THR 18 CO 0.67 0.00 -0.14 0.61 -0.01 0.00 0.00 175.52 176.66 2edy n GLY 19 N 1.29 -1.64 3.53 2.99 0.00 -1.26 -5.07 105.19 105.03 2edy n GLY 19 Ca 0.02 1.20 -0.29 0.00 0.00 0.00 0.00 46.02 46.95 2edy n GLY 19 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2edy s LEU 20 N 0.80 0.56 0.05 0.99 2.34 -1.26 -3.24 118.68 118.92 2edy s LEU 20 Ca 0.24 1.03 -0.10 0.00 0.06 0.00 0.00 54.13 55.37 2edy s LEU 20 Cb 0.14 -2.86 0.00 0.00 -0.56 0.00 0.00 46.19 42.91 2edy s LEU 20 CO -0.10 -4.16 0.20 -0.89 -1.06 0.00 0.00 176.35 170.34 2edy s THR 21 N -2.71 0.12 0.28 5.48 2.01 0.23 -4.77 115.64 116.27 2edy s THR 21 Ca 0.68 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2edy s THR 21 Cb -0.17 -1.03 0.28 0.00 0.01 0.00 0.00 72.50 71.59 2edy s THR 21 CO 0.59 -0.52 1.68 0.71 -0.69 0.00 0.00 174.62 176.38 2edy h THR 22 N 3.24 0.44 0.00 -0.82 1.35 -1.90 -3.19 112.91 112.03 2edy h THR 22 Ca -0.33 -0.10 -0.38 0.00 -0.55 0.00 0.00 66.41 65.05 2edy h THR 22 Cb 1.19 0.11 -0.06 0.00 -1.73 0.00 0.00 68.15 67.66 2edy h THR 22 CO 0.50 0.05 -2.30 -1.20 -0.25 0.00 0.00 175.52 172.32 2edy n SER 23 N -5.14 1.80 -4.93 5.36 7.64 -1.26 -2.18 113.62 114.91 2edy n SER 23 Ca 0.19 0.20 -0.21 0.00 1.01 0.00 0.00 58.87 60.06 2edy n SER 23 Cb 0.60 -0.62 0.05 0.00 -1.01 0.00 0.00 64.21 63.23 2edy n SER 23 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2edy s THR 24 N -2.43 2.57 -0.23 0.44 -4.23 -1.21 -0.94 115.64 109.62 2edy s THR 24 Ca -0.32 -0.74 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 2edy s THR 24 Cb 0.12 -2.83 0.12 0.00 1.34 0.00 0.00 72.50 71.25 2edy s THR 24 CO 0.44 0.00 0.39 -0.89 -0.54 0.00 0.00 174.62 174.02 2edy s THR 25 N -2.75 -0.62 0.79 3.99 2.01 -1.06 0.77 115.64 118.77 2edy s THR 25 Ca 0.59 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.49 2edy s THR 25 Cb -0.09 -0.76 0.06 0.00 0.01 0.00 0.00 72.50 71.72 2edy s THR 25 CO 0.39 -0.06 1.09 -1.61 -0.69 0.00 0.00 174.62 173.74 2edy s GLU 26 N 2.57 2.16 0.11 4.92 2.02 -1.20 0.60 118.70 129.88 2edy s GLU 26 Ca 0.08 0.76 -0.09 0.00 0.02 0.00 0.00 54.97 55.75 2edy s GLU 26 Cb -0.14 -1.92 -0.00 0.00 0.10 0.00 0.00 34.13 32.17 2edy s GLU 26 CO -0.15 -1.60 0.21 -0.51 0.02 0.00 0.00 175.26 173.24 2edy s LEU 27 N -5.80 1.29 -0.30 1.80 1.43 0.34 -4.17 118.68 113.27 2edy s LEU 27 Ca 0.61 -0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 2edy s LEU 27 Cb -0.15 1.08 0.19 0.00 0.03 0.00 0.00 46.19 47.33 2edy s LEU 27 CO 0.55 -0.77 0.83 0.00 0.23 0.00 0.00 176.35 177.19 2edy s ALA 28 N -3.89 -2.94 0.36 4.21 0.00 0.53 -3.43 121.76 116.61 2edy s ALA 28 Ca 0.08 1.54 0.02 0.00 0.00 0.00 0.00 51.96 53.60 2edy s ALA 28 Cb 0.04 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 2edy s ALA 28 CO -0.08 -1.51 0.06 -2.67 0.00 0.00 0.00 175.76 171.55 2edy n TRP 29 N 5.42 0.50 -4.38 0.00 2.14 -0.04 -3.07 117.44 118.01 2edy n TRP 29 Ca -0.02 -2.03 -0.20 0.00 2.07 0.00 0.00 57.50 57.33 2edy n TRP 29 Cb 0.53 -0.13 -0.10 0.00 -0.81 0.00 0.00 31.31 30.80 2edy n TRP 29 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2edy s ASP 30 N -3.09 2.71 0.85 -0.67 1.11 0.10 -4.68 116.67 113.01 2edy s ASP 30 Ca 0.08 -1.07 -0.11 0.00 0.18 0.00 0.00 52.55 51.63 2edy s ASP 30 Cb 0.00 -0.16 0.10 0.00 1.07 0.00 0.00 42.92 43.94 2edy s ASP 30 CO 0.06 -0.21 1.09 -2.16 1.18 0.00 0.00 175.17 175.14 2edy s PRO 31 N -3.66 1.61 0.34 8.23 0.04 -1.26 -2.76 135.00 137.55 2edy s PRO 31 Ca 0.25 0.94 -0.28 0.00 0.04 0.00 0.00 61.00 61.96 2edy s PRO 31 Cb 0.00 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 2edy s PRO 31 CO 0.09 -2.03 1.21 -1.25 0.04 0.00 0.00 177.00 175.07 2edy s PRO 32 N -4.92 4.31 0.37 0.56 0.04 -1.26 -4.35 135.00 129.75 2edy s PRO 32 Ca 0.63 2.00 -0.27 0.00 0.04 0.00 0.00 61.00 63.40 2edy s PRO 32 Cb -0.18 -2.96 -0.11 0.00 0.04 0.00 0.00 34.50 31.29 2edy s PRO 32 CO 0.57 -0.15 1.24 1.33 0.04 0.00 0.00 177.00 180.03 2edy n VAL 33 N 0.64 2.23 -0.06 -0.36 0.24 -1.26 -4.81 118.33 114.94 2edy n VAL 33 Ca 0.01 -0.50 0.25 0.00 -2.04 0.00 0.00 64.34 62.06 2edy n VAL 33 Cb 0.44 -1.49 0.65 0.00 -1.47 0.00 0.00 33.84 31.97 2edy n VAL 33 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 2edy h LEU 34 N 2.26 0.00 -0.02 1.34 -0.00 -1.98 0.14 115.31 117.05 2edy h LEU 34 Ca -0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2edy h LEU 34 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.96 2edy h LEU 34 CO 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 178.44 179.04 2edy h ALA 35 N 1.18 0.02 -2.00 0.17 0.00 -2.03 -3.34 119.26 113.26 2edy h ALA 35 Ca 0.34 -0.20 -0.78 0.00 0.00 0.00 0.00 54.91 54.28 2edy h ALA 35 Cb 1.84 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 19.39 2edy h ALA 35 CO -0.00 -0.28 0.96 0.39 0.00 0.00 0.00 179.25 180.32 2edy n GLU 36 N -4.88 3.69 -3.33 0.00 1.02 0.50 -4.90 120.64 112.73 2edy n GLU 36 Ca -0.08 -4.20 -0.08 0.00 -0.02 0.00 0.00 57.16 52.78 2edy n GLU 36 Cb 0.21 -2.72 -0.07 0.00 -0.02 0.00 0.00 31.44 28.83 2edy n GLU 36 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2edy s ARG 37 N -0.60 0.37 -0.31 3.49 0.52 -1.25 -4.42 118.95 116.75 2edy s ARG 37 Ca 0.35 0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 56.06 2edy s ARG 37 Cb -0.03 -0.40 0.22 0.00 0.52 0.00 0.00 34.95 35.26 2edy s ARG 37 CO -0.01 -0.69 1.99 0.09 0.02 0.00 0.00 175.30 176.70 2edy n ASN 38 N 5.37 6.33 0.00 0.23 3.02 -1.26 -4.91 115.26 124.04 2edy n ASN 38 Ca -0.03 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.48 2edy n ASN 38 Cb 0.50 -1.04 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 2edy n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2edy n GLY 39 N 0.34 0.39 3.26 7.41 0.00 -1.26 -4.83 105.19 110.49 2edy n GLY 39 Ca 0.29 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 2edy n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2edy s ARG 40 N 0.00 1.09 0.09 1.61 3.03 -1.26 -5.15 118.95 118.35 2edy s ARG 40 Ca 0.00 -1.44 0.02 0.00 2.03 0.00 0.00 55.73 56.33 2edy s ARG 40 Cb 0.00 -0.72 -0.04 0.00 -1.03 0.00 0.00 34.95 33.17 2edy s ARG 40 CO 0.00 0.10 0.18 0.42 -1.13 0.00 0.00 175.30 174.87 2edy s ILE 41 N -3.15 5.08 0.00 4.99 -1.09 -1.26 -4.27 121.20 121.51 2edy s ILE 41 Ca 0.16 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 2edy s ILE 41 Cb 0.01 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 2edy s ILE 41 CO 0.02 0.08 0.00 2.30 -1.23 0.00 0.00 174.94 176.10 2edy n ILE 42 N 0.14 0.00 -3.83 2.92 -5.35 -0.78 -4.99 119.36 107.48 2edy n ILE 42 Ca -0.07 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.35 2edy n ILE 42 Cb 0.52 -0.34 0.01 0.00 -1.74 0.00 0.00 39.64 38.08 2edy n ILE 42 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2edy s SER 43 N -2.63 -0.09 0.09 7.28 1.04 -1.26 -4.74 113.70 113.39 2edy s SER 43 Ca 0.00 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.67 2edy s SER 43 Cb 0.00 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 2edy s SER 43 CO 0.00 -1.30 -0.06 -0.31 0.98 0.00 0.00 173.24 172.55 2edy s TYR 44 N -2.84 0.83 -0.18 5.02 1.51 -1.05 -0.82 117.35 119.82 2edy s TYR 44 Ca 0.15 -0.87 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 2edy s TYR 44 Cb -0.04 -0.49 0.02 0.00 -0.11 0.00 0.00 41.96 41.34 2edy s TYR 44 CO 0.07 -0.16 -0.19 0.99 -1.11 0.00 0.00 175.55 175.16 2edy s THR 45 N -3.33 2.04 -0.54 -0.71 2.01 -0.63 -2.93 115.64 111.55 2edy s THR 45 Ca 0.08 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 60.94 2edy s THR 45 Cb 0.03 -1.87 0.11 0.00 0.01 0.00 0.00 72.50 70.78 2edy s THR 45 CO -0.04 0.49 0.55 -0.69 -0.69 0.00 0.00 174.62 174.24 2edy s VAL 46 N 1.29 5.08 -0.43 3.82 1.01 -0.64 -2.39 120.40 128.14 2edy s VAL 46 Ca 0.04 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 60.58 2edy s VAL 46 Cb -0.14 -4.35 0.02 0.00 0.00 0.00 0.00 36.38 31.91 2edy s VAL 46 CO -0.12 -0.90 0.65 -0.69 0.00 0.00 0.00 175.10 174.04 2edy s VAL 47 N 1.98 4.82 -0.09 2.92 1.01 -0.92 -0.44 120.40 129.68 2edy s VAL 47 Ca 0.06 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2edy s VAL 47 Cb -0.27 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2edy s VAL 47 CO 0.05 -0.56 -0.15 0.72 0.00 0.00 0.00 175.10 175.15 2edy s PHE 48 N 2.84 2.72 -0.08 5.22 -0.71 0.36 -0.92 117.98 127.42 2edy s PHE 48 Ca 0.24 -0.49 -0.17 0.00 -1.04 0.00 0.00 56.93 55.46 2edy s PHE 48 Cb -0.14 -1.74 0.04 0.00 -1.21 0.00 0.00 43.02 39.97 2edy s PHE 48 CO 0.19 -0.08 0.40 0.50 -1.34 0.00 0.00 175.22 174.89 2edy s ARG 49 N -0.09 0.64 -0.52 1.99 3.52 0.05 -1.64 118.95 122.89 2edy s ARG 49 Ca -0.03 0.18 -0.29 0.00 -0.13 0.00 0.00 55.73 55.47 2edy s ARG 49 Cb -0.14 0.30 0.03 0.00 -1.56 0.00 0.00 34.95 33.58 2edy s ARG 49 CO 0.04 -0.15 1.16 0.34 -0.81 0.00 0.00 175.30 175.88 2edy s ASP 50 N -0.68 6.55 0.36 -2.12 2.15 -1.25 0.17 116.67 121.86 2edy s ASP 50 Ca -0.08 0.31 0.16 0.00 0.43 0.00 0.00 52.55 53.38 2edy s ASP 50 Cb -0.04 -2.55 0.87 0.00 -0.30 0.00 0.00 42.92 40.90 2edy s ASP 50 CO 0.03 -1.35 1.41 0.16 -0.17 0.00 0.00 175.17 175.25 2edy h ILE 51 N 6.21 0.00 0.00 4.11 3.07 -1.92 0.71 117.51 129.68 2edy h ILE 51 Ca -0.24 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.03 2edy h ILE 51 Cb 1.06 0.36 -0.03 0.00 -0.27 0.00 0.00 36.82 37.94 2edy h ILE 51 CO 1.15 0.00 -1.48 0.59 -1.05 0.00 0.00 178.15 177.36 2edy n ASN 52 N -2.17 0.71 -4.78 2.16 3.02 -1.26 -4.96 115.26 107.98 2edy n ASN 52 Ca -0.01 0.31 -0.28 0.00 -0.03 0.00 0.00 54.58 54.56 2edy n ASN 52 Cb 0.29 0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 39.84 2edy n ASN 52 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2edy s SER 53 N -5.57 4.32 -0.17 6.41 0.01 0.25 -5.04 113.70 113.91 2edy s SER 53 Ca -0.04 -1.36 0.16 0.00 1.31 0.00 0.00 55.95 56.02 2edy s SER 53 Cb 0.09 0.13 0.61 0.00 0.21 0.00 0.00 66.02 67.07 2edy s SER 53 CO 0.82 -0.80 1.52 0.00 0.41 0.00 0.00 173.24 175.19 2edy n GLN 54 N -1.36 3.57 -2.87 12.44 10.64 -1.26 -4.55 117.38 133.99 2edy n GLN 54 Ca -0.08 -2.86 -0.43 0.00 -1.83 0.00 0.00 57.00 51.80 2edy n GLN 54 Cb 0.66 -1.91 -0.04 0.00 -0.86 0.00 0.00 30.24 28.09 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2edy s GLN 55 N -2.48 3.23 -0.05 2.61 2.00 -1.26 -5.03 119.66 118.68 2edy s GLN 55 Ca 0.45 -0.51 -0.14 0.00 -2.00 0.00 0.00 55.36 53.16 2edy s GLN 55 Cb 0.34 -4.12 -0.05 0.00 0.80 0.00 0.00 33.01 29.98 2edy s GLN 55 CO 0.14 -1.59 0.36 -2.00 -0.50 0.00 0.00 175.29 171.71 2edy s GLU 56 N 3.90 3.96 0.00 1.67 2.12 -1.26 -3.81 118.70 125.28 2edy s GLU 56 Ca 0.26 0.30 -0.17 0.00 0.36 0.00 0.00 54.97 55.72 2edy s GLU 56 Cb -0.14 -3.27 0.03 0.00 0.26 0.00 0.00 34.13 31.00 2edy s GLU 56 CO 0.15 0.57 0.37 -0.51 -0.54 0.00 0.00 175.26 175.31 2edy s LEU 57 N -0.64 0.60 0.31 2.70 1.43 -0.65 -5.03 118.68 117.40 2edy s LEU 57 Ca 0.22 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 2edy s LEU 57 Cb -0.15 1.52 -0.02 0.00 0.03 0.00 0.00 46.19 47.56 2edy s LEU 57 CO 0.10 -0.54 0.31 -1.10 0.23 0.00 0.00 176.35 175.35 2edy s GLN 58 N -1.78 1.68 0.25 1.70 1.11 -1.26 0.14 119.66 121.50 2edy s GLN 58 Ca -0.10 -1.85 -0.06 0.00 0.01 0.00 0.00 55.36 53.36 2edy s GLN 58 Cb -0.03 0.35 -0.02 0.00 -1.01 0.00 0.00 33.01 32.30 2edy s GLN 58 CO 0.02 -0.64 0.33 -0.80 0.01 0.00 0.00 175.29 174.22 2edy s ASN 59 N -3.28 0.22 -0.02 5.90 0.02 0.42 -4.92 114.94 113.28 2edy s ASN 59 Ca 0.37 -1.22 0.01 0.00 -1.02 0.00 0.00 52.86 51.00 2edy s ASN 59 Cb 0.02 0.51 0.01 0.00 0.02 0.00 0.00 41.25 41.82 2edy s ASN 59 CO 0.22 -1.04 -0.02 -0.63 0.02 0.00 0.00 177.10 175.65 2edy s ILE 60 N -3.91 0.28 -0.18 0.60 1.01 -1.26 -1.61 121.20 116.12 2edy s ILE 60 Ca 0.31 -0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.71 2edy s ILE 60 Cb 0.03 -0.31 0.05 0.00 0.01 0.00 0.00 42.46 42.24 2edy s ILE 60 CO 0.13 0.13 0.54 0.28 0.00 0.00 0.00 174.94 176.01 2edy s THR 61 N 0.50 0.00 -1.09 2.92 -1.32 -1.15 -5.02 115.64 110.49 2edy s THR 61 Ca -0.05 -0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.42 2edy s THR 61 Cb -0.08 -0.76 0.09 0.00 -1.51 0.00 0.00 72.50 70.23 2edy s THR 61 CO -0.01 -0.02 0.71 0.35 -2.21 0.00 0.00 174.62 173.45 2edy n THR 62 N 2.57 0.28 -4.46 5.08 -2.24 -1.26 -2.53 114.28 111.72 2edy n THR 62 Ca -0.14 -0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.25 2edy n THR 62 Cb 0.56 -0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.30 2edy n THR 62 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2edy s ASP 63 N -0.24 3.42 -0.01 3.42 1.11 -1.26 -4.90 116.67 118.21 2edy s ASP 63 Ca 0.06 -1.07 0.01 0.00 0.18 0.00 0.00 52.55 51.73 2edy s ASP 63 Cb 0.04 -0.28 0.06 0.00 1.07 0.00 0.00 42.92 43.82 2edy s ASP 63 CO 0.02 -0.06 0.71 0.35 1.18 0.00 0.00 175.17 177.37 2edy n THR 64 N -0.62 0.19 -4.07 -1.27 -2.24 -1.26 -4.70 114.28 100.32 2edy n THR 64 Ca -0.05 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 2edy n THR 64 Cb 0.61 -0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.40 2edy n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2edy s ARG 65 N -1.34 1.18 0.10 -0.78 1.04 -1.26 -0.86 118.95 117.03 2edy s ARG 65 Ca 0.04 -1.36 -0.26 0.00 -1.04 0.00 0.00 55.73 53.12 2edy s ARG 65 Cb 0.03 0.33 0.08 0.00 -2.04 0.00 0.00 34.95 33.35 2edy s ARG 65 CO 0.02 -0.41 0.90 0.12 -0.04 0.00 0.00 175.30 175.88 2edy s PHE 66 N -4.04 -0.24 -0.17 5.89 5.36 -1.22 -4.91 117.98 118.65 2edy s PHE 66 Ca 0.25 -0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.17 2edy s PHE 66 Cb 0.05 0.60 0.06 0.00 -0.34 0.00 0.00 43.02 43.38 2edy s PHE 66 CO 0.05 -0.75 0.05 0.99 -1.46 0.00 0.00 175.22 174.10 2edy s THR 67 N -3.29 0.27 1.16 0.12 2.01 -1.26 0.13 115.64 114.79 2edy s THR 67 Ca 0.09 -0.35 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 2edy s THR 67 Cb -0.01 -0.81 0.27 0.00 0.01 0.00 0.00 72.50 71.96 2edy s THR 67 CO -0.03 -0.20 1.05 -0.76 -0.69 0.00 0.00 174.62 174.00 2edy s LEU 68 N 1.98 0.71 0.22 4.42 2.01 0.20 -4.79 118.68 123.43 2edy s LEU 68 Ca 0.01 1.11 -0.21 0.00 0.01 0.00 0.00 54.13 55.04 2edy s LEU 68 Cb -0.16 -2.99 0.04 0.00 0.01 0.00 0.00 46.19 43.09 2edy s LEU 68 CO -0.08 -4.04 0.65 0.42 1.01 0.00 0.00 176.35 174.30 2edy s THR 69 N -2.71 0.00 -1.21 5.49 -4.23 -1.26 -2.55 115.64 109.17 2edy s THR 69 Ca 0.68 -0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 60.58 2edy s THR 69 Cb -0.18 -1.53 0.01 0.00 1.34 0.00 0.00 72.50 72.13 2edy s THR 69 CO 0.60 -0.01 1.04 0.61 -0.54 0.00 0.00 174.62 176.32 2edy n GLY 70 N -0.41 -0.40 3.61 3.99 0.00 -1.24 -4.92 105.19 105.81 2edy n GLY 70 Ca -0.10 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 2edy n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edy s LEU 71 N -6.59 3.07 0.13 0.99 1.43 -0.11 -5.05 118.68 112.55 2edy s LEU 71 Ca 0.33 -0.64 -0.24 0.00 -1.03 0.00 0.00 54.13 52.55 2edy s LEU 71 Cb -0.14 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.34 2edy s LEU 71 CO 0.68 0.04 0.72 -0.75 0.23 0.00 0.00 176.35 177.28 2edy s LYS 72 N -3.33 4.46 0.48 1.70 2.20 -1.26 -4.19 119.74 119.81 2edy s LYS 72 Ca 0.29 1.03 -0.22 0.00 -0.36 0.00 0.00 55.97 56.71 2edy s LYS 72 Cb -0.07 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.92 2edy s LYS 72 CO 0.18 0.58 1.15 -1.25 -0.36 0.00 0.00 175.35 175.65 2edy s PRO 73 N -1.08 3.66 -1.43 4.03 0.04 -0.93 -3.45 135.00 135.84 2edy s PRO 73 Ca 0.34 1.73 -0.09 0.00 0.04 0.00 0.00 61.00 63.02 2edy s PRO 73 Cb -0.22 -2.31 0.05 0.00 0.04 0.00 0.00 34.50 32.06 2edy s PRO 73 CO 0.24 -0.62 0.96 -3.47 0.04 0.00 0.00 177.00 174.15 2edy n ASP 74 N -0.69 -4.17 -3.78 6.66 2.03 -1.11 -4.89 116.55 110.61 2edy n ASP 74 Ca 0.08 -0.73 -0.19 0.00 0.52 0.00 0.00 54.79 54.47 2edy n ASP 74 Cb 0.49 -4.22 -0.17 0.00 -0.72 0.00 0.00 41.12 36.50 2edy n ASP 74 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2edy s THR 75 N -3.39 0.16 0.17 5.18 2.01 -1.22 -4.95 115.64 113.59 2edy s THR 75 Ca 0.47 0.17 -0.32 0.00 0.31 0.00 0.00 61.69 62.32 2edy s THR 75 Cb -0.23 -0.30 -0.11 0.00 0.01 0.00 0.00 72.50 71.88 2edy s THR 75 CO 0.80 0.18 1.66 -0.89 -0.69 0.00 0.00 174.62 175.68 2edy s THR 76 N 1.46 2.41 -0.24 -0.82 2.01 -1.26 -2.90 115.64 116.30 2edy s THR 76 Ca -0.04 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.22 2edy s THR 76 Cb -0.13 -3.15 0.06 0.00 0.01 0.00 0.00 72.50 69.29 2edy s THR 76 CO -0.03 0.02 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.55 2edy s TYR 77 N 1.44 2.60 -0.64 4.92 2.02 -1.19 -3.46 117.35 123.04 2edy s TYR 77 Ca 0.73 -1.90 -0.26 0.00 -0.37 0.00 0.00 57.07 55.27 2edy s TYR 77 Cb -0.46 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 2edy s TYR 77 CO 0.32 -0.80 1.97 0.34 -1.57 0.00 0.00 175.55 175.81 2edy s ASP 78 N 1.33 5.08 -0.11 2.29 -1.08 0.46 -1.90 116.67 122.74 2edy s ASP 78 Ca -0.06 0.31 -0.01 0.00 -0.52 0.00 0.00 52.55 52.27 2edy s ASP 78 Cb -0.19 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.71 2edy s ASP 78 CO -0.06 -2.55 -0.07 -0.63 0.52 0.00 0.00 175.17 172.38 2edy s ILE 79 N 9.88 3.68 0.30 4.11 1.01 -1.26 -0.77 121.20 138.15 2edy s ILE 79 Ca 0.73 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.97 2edy s ILE 79 Cb -0.12 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 2edy s ILE 79 CO 0.18 0.55 0.19 2.29 0.00 0.00 0.00 174.94 178.16 2edy n LYS 80 N 2.86 0.44 -3.75 2.79 2.85 -0.10 -1.50 118.16 121.76 2edy n LYS 80 Ca -0.18 -2.81 -0.10 0.00 -1.05 0.00 0.00 58.31 54.18 2edy n LYS 80 Cb 0.53 2.02 -0.06 0.00 -0.65 0.00 0.00 35.03 36.86 2edy n LYS 80 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2edy s VAL 81 N -3.02 0.10 -0.23 0.58 0.11 -1.26 -2.16 120.40 114.53 2edy s VAL 81 Ca 0.27 -0.85 -0.14 0.00 -2.93 0.00 0.00 61.98 58.34 2edy s VAL 81 Cb 0.01 -1.20 0.07 0.00 -1.53 0.00 0.00 36.38 33.73 2edy s VAL 81 CO 0.19 -0.47 0.56 0.00 -3.33 0.00 0.00 175.10 172.05 2edy s ARG 82 N -3.61 0.57 0.54 1.54 1.70 -1.01 0.28 118.95 118.96 2edy s ARG 82 Ca 0.02 1.00 -0.18 0.00 -0.47 0.00 0.00 55.73 56.10 2edy s ARG 82 Cb 0.03 0.09 -0.06 0.00 -0.57 0.00 0.00 34.95 34.44 2edy s ARG 82 CO -0.10 -0.15 1.04 0.00 -1.08 0.00 0.00 175.30 175.02 2edy s ALA 83 N 1.39 2.82 0.06 7.88 0.00 -1.26 -1.61 121.76 131.04 2edy s ALA 83 Ca -0.09 0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.40 2edy s ALA 83 Cb -0.06 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 2edy s ALA 83 CO -0.15 -0.56 -0.20 -1.58 0.00 0.00 0.00 175.76 173.28 2edy s TRP 84 N -2.28 1.69 0.26 0.00 0.52 -0.00 -3.68 118.94 115.45 2edy s TRP 84 Ca 0.65 -0.39 0.10 0.00 0.02 0.00 0.00 56.10 56.48 2edy s TRP 84 Cb -0.16 -0.98 -0.05 0.00 -1.15 0.00 0.00 33.47 31.13 2edy s TRP 84 CO 0.30 0.12 -0.16 0.95 0.02 0.00 0.00 176.95 178.17 2edy s THR 85 N -0.94 2.13 0.64 2.01 -4.23 -0.39 -1.87 115.64 112.99 2edy s THR 85 Ca 0.06 -2.30 0.21 0.00 -1.18 0.00 0.00 61.69 58.48 2edy s THR 85 Cb -0.09 -2.25 0.24 0.00 1.34 0.00 0.00 72.50 71.74 2edy s THR 85 CO 0.02 -0.44 1.60 -1.28 -0.54 0.00 0.00 174.62 173.98 2edy h SER 86 N 2.35 0.00 0.00 3.99 0.87 -1.95 -1.27 113.55 117.55 2edy h SER 86 Ca -0.39 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2edy h SER 86 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2edy h SER 86 CO 0.62 0.00 -0.00 0.11 -0.53 0.00 0.00 176.83 177.03 2edy h LYS 87 N 0.00 -0.00 0.00 2.24 1.79 -1.94 -3.51 116.57 115.15 2edy h LYS 87 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2edy h LYS 87 Cb 1.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2edy h LYS 87 CO -0.00 -0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2edy n GLY 88 N 1.80 1.83 3.68 3.86 0.00 -0.48 -4.65 105.19 111.24 2edy n GLY 88 Ca -0.00 0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 2edy n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edy s SER 89 N 2.00 4.39 0.00 1.61 0.15 -1.26 -1.27 113.70 119.32 2edy s SER 89 Ca 0.00 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.73 2edy s SER 89 Cb 0.00 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2edy s SER 89 CO 0.00 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2edy n GLY 90 N -1.06 5.26 3.58 9.45 0.00 -1.24 -4.09 105.19 117.09 2edy n GLY 90 Ca -0.03 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 2edy n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edy s PRO 91 N 3.80 -1.40 -0.14 1.61 0.04 -1.25 -4.98 135.00 132.68 2edy s PRO 91 Ca 0.00 -0.13 0.01 0.00 0.04 0.00 0.00 61.00 60.93 2edy s PRO 91 Cb 0.00 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.98 2edy s PRO 91 CO 0.00 -3.82 -0.17 -0.51 0.04 0.00 0.00 177.00 172.54 2edy s LEU 92 N -6.99 1.88 0.78 -3.56 1.43 -1.26 -4.59 118.68 106.37 2edy s LEU 92 Ca 0.71 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 53.14 2edy s LEU 92 Cb -0.09 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.89 2edy s LEU 92 CO 0.56 0.01 0.98 -1.54 0.23 0.00 0.00 176.35 176.58 2edy n SER 93 N 4.43 0.32 -4.64 2.29 3.41 0.14 -4.89 113.62 114.69 2edy n SER 93 Ca -0.19 0.59 -0.43 0.00 -0.26 0.00 0.00 58.87 58.59 2edy n SER 93 Cb 0.51 -1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.02 2edy n SER 93 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2edy s PRO 94 N -3.64 3.95 0.66 4.33 0.04 -1.26 -4.36 135.00 134.72 2edy s PRO 94 Ca 0.71 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 63.37 2edy s PRO 94 Cb -0.31 -3.99 -0.07 0.00 0.04 0.00 0.00 34.50 30.17 2edy s PRO 94 CO 0.53 -1.10 0.41 -1.13 0.04 0.00 0.00 177.00 175.74 2edy n SER 95 N 7.87 -1.59 -0.03 6.66 3.41 -1.26 -4.85 113.62 123.82 2edy n SER 95 Ca 0.18 0.63 0.01 0.00 -0.26 0.00 0.00 58.87 59.43 2edy n SER 95 Cb 0.45 -1.15 -0.11 0.00 -0.26 0.00 0.00 64.21 63.14 2edy n SER 95 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2edy n ILE 96 N -2.06 0.41 -3.37 -1.33 -5.35 -0.56 -4.91 119.36 102.18 2edy n ILE 96 Ca 0.10 -0.43 -0.17 0.00 -0.27 0.00 0.00 62.75 61.97 2edy n ILE 96 Cb 0.49 -0.20 0.08 0.00 -1.74 0.00 0.00 39.64 38.27 2edy n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2edy n GLN 97 N -2.22 -6.44 -2.05 6.28 6.02 -1.21 -4.89 117.38 112.88 2edy n GLN 97 Ca -0.11 0.78 -0.41 0.00 -0.01 0.00 0.00 57.00 57.24 2edy n GLN 97 Cb 0.63 -5.62 -0.03 0.00 1.02 0.00 0.00 30.24 26.24 2edy n GLN 97 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2edy s SER 98 N -4.02 5.73 -0.31 1.08 0.15 -0.80 -4.10 113.70 111.43 2edy s SER 98 Ca 0.13 0.95 -0.29 0.00 0.70 0.00 0.00 55.95 57.44 2edy s SER 98 Cb -0.06 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2edy s SER 98 CO 0.67 -1.90 1.20 -0.60 1.20 0.00 0.00 173.24 173.82 2edy s ARG 99 N 6.04 3.97 0.75 5.44 3.52 -1.26 -3.17 118.95 134.24 2edy s ARG 99 Ca 0.74 1.15 -0.17 0.00 -0.13 0.00 0.00 55.73 57.32 2edy s ARG 99 Cb -0.18 -3.82 -0.10 0.00 -1.56 0.00 0.00 34.95 29.28 2edy s ARG 99 CO 0.29 -1.04 -0.08 0.25 -0.81 0.00 0.00 175.30 173.91 2edy n THR 100 N 6.10 0.57 -2.01 4.11 -2.24 -1.14 -4.78 114.28 114.89 2edy n THR 100 Ca 0.13 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 2edy n THR 100 Cb 0.47 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 2edy n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2edy s MET 101 N -2.05 4.27 -0.58 -0.78 0.00 -1.23 -2.75 119.30 116.18 2edy s MET 101 Ca 0.55 2.34 -0.27 0.00 0.00 0.00 0.00 55.69 58.31 2edy s MET 101 Cb -0.34 -3.04 -0.02 0.00 0.00 0.00 0.00 34.83 31.44 2edy s MET 101 CO 0.69 -0.31 1.85 -1.25 0.00 0.00 0.00 175.02 176.00 2edy s PRO 102 N -1.89 2.70 0.00 3.16 0.04 -1.26 -3.42 135.00 134.32 2edy s PRO 102 Ca 0.50 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2edy s PRO 102 Cb -0.42 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 29.75 2edy s PRO 102 CO 0.56 -2.64 0.39 1.55 0.04 0.00 0.00 177.00 176.90