#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edy s SER 2 N 0.00 6.38 -1.19 1.61 0.15 -1.26 -4.15 113.70 115.24 2edy s SER 2 Ca 0.00 0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.62 2edy s SER 2 Cb 0.00 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 62.00 2edy s SER 2 CO 0.00 -0.60 1.03 -0.24 1.20 0.00 0.00 173.24 174.63 2edy n SER 3 N 6.01 -4.52 -3.56 5.45 2.88 -1.26 -5.00 113.62 113.63 2edy n SER 3 Ca -0.02 -0.52 -0.15 0.00 -1.33 0.00 0.00 58.87 56.85 2edy n SER 3 Cb 0.48 -4.71 -0.06 0.00 -0.75 0.00 0.00 64.21 59.18 2edy n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2edy s GLY 4 N -3.66 -0.44 -0.55 0.46 0.00 -1.26 -5.05 107.32 96.81 2edy s GLY 4 Ca 0.33 1.74 0.01 0.00 0.00 0.00 0.00 44.72 46.81 2edy s GLY 4 CO 0.67 1.16 1.70 -1.26 0.00 0.00 0.00 173.10 175.37 2edy n SER 5 N 1.19 6.59 -4.30 1.64 2.88 -1.26 -4.83 113.62 115.53 2edy n SER 5 Ca -0.15 -3.78 -0.27 0.00 -1.33 0.00 0.00 58.87 53.34 2edy n SER 5 Cb 0.57 -0.75 -0.14 0.00 -0.75 0.00 0.00 64.21 63.14 2edy n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2edy s SER 6 N -2.43 2.77 0.00 -3.46 1.04 -1.26 -5.08 113.70 105.27 2edy s SER 6 Ca 0.58 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2edy s SER 6 Cb 0.46 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2edy s SER 6 CO -0.06 0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2edy n GLY 7 N 1.65 2.13 3.77 7.32 0.00 -1.26 -4.55 105.19 114.25 2edy n GLY 7 Ca -0.17 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.27 4.18 0.00 1.61 0.04 -1.26 -4.83 135.00 132.47 2edy s PRO 8 Ca 0.00 1.94 0.22 0.00 0.04 0.00 0.00 61.00 63.20 2edy s PRO 8 Cb 0.00 -2.83 -0.13 0.00 0.04 0.00 0.00 34.50 31.59 2edy s PRO 8 CO 0.00 -0.25 0.96 0.45 0.04 0.00 0.00 177.00 178.21 2edy n SER 9 N 0.36 0.90 -4.55 6.66 2.88 -1.26 -3.58 113.62 115.03 2edy n SER 9 Ca 0.03 -0.86 -0.26 0.00 -1.33 0.00 0.00 58.87 56.45 2edy n SER 9 Cb 0.45 0.92 -0.09 0.00 -0.75 0.00 0.00 64.21 64.73 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 -3.04 1.73 0.21 0.46 0.00 -1.26 -4.79 107.32 100.62 2edy s GLY 10 Ca 0.08 -1.57 0.09 0.00 0.00 0.00 0.00 44.72 43.32 2edy s GLY 10 CO 0.85 -1.60 -0.04 -0.11 0.00 0.00 0.00 173.10 172.19 2edy s PHE 11 N -1.88 2.70 1.09 1.90 -0.71 -1.26 -4.74 117.98 115.08 2edy s PHE 11 Ca 0.26 -0.20 -0.15 0.00 -1.04 0.00 0.00 56.93 55.79 2edy s PHE 11 Cb -0.08 -1.27 0.23 0.00 -1.21 0.00 0.00 43.02 40.70 2edy s PHE 11 CO 0.15 0.56 1.10 -1.25 -1.34 0.00 0.00 175.22 174.44 2edy s PRO 12 N -3.20 -0.30 0.28 1.99 0.04 -1.26 -4.65 135.00 127.89 2edy s PRO 12 Ca 0.28 0.27 0.03 0.00 0.04 0.00 0.00 61.00 61.63 2edy s PRO 12 Cb -0.08 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 2edy s PRO 12 CO 0.18 -3.17 0.13 1.04 0.04 0.00 0.00 177.00 175.22 2edy n GLN 13 N -4.44 0.59 -2.19 4.56 1.13 -1.17 -4.84 117.38 111.02 2edy n GLN 13 Ca 0.08 -2.43 -0.20 0.00 -1.94 0.00 0.00 57.00 52.51 2edy n GLN 13 Cb 0.58 1.47 -0.03 0.00 0.11 0.00 0.00 30.24 32.37 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 -1.77 -5.62 -4.63 1.08 5.03 -1.26 -0.76 115.26 107.33 2edy n ASN 14 Ca -0.02 0.10 -0.43 0.00 0.87 0.00 0.00 54.58 55.10 2edy n ASN 14 Cb 0.43 -4.70 -0.02 0.00 -1.02 0.00 0.00 39.78 34.47 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 -5.44 3.87 0.00 3.41 2.96 -1.26 -3.83 118.68 118.38 2edy s LEU 15 Ca 0.00 1.14 -0.12 0.00 -0.22 0.00 0.00 54.13 54.93 2edy s LEU 15 Cb 0.00 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.19 2edy s LEU 15 CO 0.00 -1.07 0.56 0.00 -1.32 0.00 0.00 176.35 174.52 2edy n HIS 16 N 7.57 -1.08 -4.29 5.38 1.44 -1.18 -4.91 115.22 118.16 2edy n HIS 16 Ca 0.14 -0.74 -0.35 0.00 -2.01 0.00 0.00 57.72 54.76 2edy n HIS 16 Cb 0.47 0.36 -0.09 0.00 0.12 0.00 0.00 29.99 30.85 2edy n HIS 16 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2edy s VAL 17 N -2.31 4.48 -1.55 0.61 0.11 -1.26 -0.29 120.40 120.20 2edy s VAL 17 Ca 0.12 -0.18 0.15 0.00 -2.93 0.00 0.00 61.98 59.15 2edy s VAL 17 Cb -0.02 -2.91 0.03 0.00 -1.53 0.00 0.00 36.38 31.96 2edy s VAL 17 CO 0.03 0.59 0.87 1.07 -3.33 0.00 0.00 175.10 174.33 2edy n THR 18 N 2.29 0.00 0.00 5.04 5.66 -1.26 -4.83 114.28 121.19 2edy n THR 18 Ca -0.19 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 2edy n THR 18 Cb 0.54 1.22 0.00 0.00 -1.55 0.00 0.00 70.33 70.54 2edy n THR 18 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2edy n GLY 19 N 1.05 -1.99 3.58 1.09 0.00 -1.26 -5.04 105.19 102.61 2edy n GLY 19 Ca 0.07 0.96 -0.29 0.00 0.00 0.00 0.00 46.02 46.76 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 0.00 1.25 0.06 0.99 2.34 -1.26 -3.16 118.68 118.90 2edy s LEU 20 Ca 0.00 1.42 -0.05 0.00 0.06 0.00 0.00 54.13 55.56 2edy s LEU 20 Cb 0.00 -3.47 -0.02 0.00 -0.56 0.00 0.00 46.19 42.14 2edy s LEU 20 CO 0.00 -3.71 0.08 -0.89 -1.06 0.00 0.00 176.35 170.77 2edy s THR 21 N -2.68 0.17 0.24 5.48 2.01 0.45 -4.78 115.64 116.53 2edy s THR 21 Ca 0.67 -1.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.22 2edy s THR 21 Cb -0.22 -1.29 0.23 0.00 0.01 0.00 0.00 72.50 71.23 2edy s THR 21 CO 0.61 -0.77 1.69 0.71 -0.69 0.00 0.00 174.62 176.18 2edy h THR 22 N 3.14 0.54 0.00 -0.82 1.35 -1.91 -3.21 112.91 112.00 2edy h THR 22 Ca -0.34 -0.10 -0.34 0.00 -0.55 0.00 0.00 66.41 65.08 2edy h THR 22 Cb 1.17 0.21 -0.06 0.00 -1.73 0.00 0.00 68.15 67.75 2edy h THR 22 CO 0.58 0.06 -2.25 -1.20 -0.25 0.00 0.00 175.52 172.46 2edy n SER 23 N -5.12 2.10 -4.99 5.36 7.64 -1.26 -2.10 113.62 115.25 2edy n SER 23 Ca 0.14 0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.85 2edy n SER 23 Cb 0.45 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 3.71 -0.16 0.44 -4.23 -1.21 -0.93 115.64 110.84 2edy s THR 24 Ca -0.30 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.20 2edy s THR 24 Cb 0.09 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.73 2edy s THR 24 CO 0.47 -0.11 0.23 -0.89 -0.54 0.00 0.00 174.62 173.78 2edy s THR 25 N -2.26 -0.36 0.80 3.99 2.01 -0.98 0.17 115.64 119.01 2edy s THR 25 Ca 0.48 0.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.49 2edy s THR 25 Cb -0.10 -0.53 0.07 0.00 0.01 0.00 0.00 72.50 71.96 2edy s THR 25 CO 0.32 -0.02 1.10 -1.61 -0.69 0.00 0.00 174.62 173.72 2edy s GLU 26 N 2.37 2.04 0.13 4.92 2.02 -1.19 0.88 118.70 129.87 2edy s GLU 26 Ca 0.04 0.63 -0.08 0.00 0.02 0.00 0.00 54.97 55.58 2edy s GLU 26 Cb -0.14 -1.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 2edy s GLU 26 CO -0.10 -1.65 0.23 -0.51 0.02 0.00 0.00 175.26 173.25 2edy s LEU 27 N -5.79 1.23 -0.30 1.80 1.43 0.17 -4.15 118.68 113.07 2edy s LEU 27 Ca 0.61 -0.80 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 2edy s LEU 27 Cb -0.14 1.06 0.19 0.00 0.03 0.00 0.00 46.19 47.32 2edy s LEU 27 CO 0.54 -0.81 0.82 0.00 0.23 0.00 0.00 176.35 177.14 2edy s ALA 28 N -3.93 -3.00 0.40 4.21 0.00 0.61 -3.66 121.76 116.40 2edy s ALA 28 Ca 0.12 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.56 2edy s ALA 28 Cb 0.04 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 2edy s ALA 28 CO -0.05 -1.62 0.08 -2.67 0.00 0.00 0.00 175.76 171.50 2edy n TRP 29 N 5.38 0.50 -4.38 0.00 2.14 -0.19 -3.12 117.44 117.77 2edy n TRP 29 Ca 0.00 -2.30 -0.19 0.00 2.07 0.00 0.00 57.50 57.08 2edy n TRP 29 Cb 0.54 -0.13 -0.10 0.00 -0.81 0.00 0.00 31.31 30.81 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 -3.34 2.64 0.85 -0.67 1.01 0.06 -4.70 116.67 112.52 2edy s ASP 30 Ca 0.11 -1.08 -0.11 0.00 0.71 0.00 0.00 52.55 52.17 2edy s ASP 30 Cb 0.01 -0.15 0.10 0.00 1.01 0.00 0.00 42.92 43.89 2edy s ASP 30 CO 0.08 -0.23 1.09 -2.16 0.21 0.00 0.00 175.17 174.16 2edy s PRO 31 N -3.68 1.64 -0.00 8.23 0.04 -1.26 -3.05 135.00 136.93 2edy s PRO 31 Ca 0.25 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 2edy s PRO 31 Cb 0.01 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 2edy s PRO 31 CO 0.09 -2.01 1.45 -1.25 0.04 0.00 0.00 177.00 175.32 2edy s PRO 32 N -4.92 4.26 -0.11 0.56 0.04 -1.26 -4.38 135.00 129.19 2edy s PRO 32 Ca 0.63 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 63.39 2edy s PRO 32 Cb -0.18 -3.61 -0.14 0.00 0.04 0.00 0.00 34.50 30.61 2edy s PRO 32 CO 0.57 -0.62 0.88 1.33 0.04 0.00 0.00 177.00 179.20 2edy n VAL 33 N 4.76 0.00 -0.06 -0.36 0.24 -1.26 -4.64 118.33 117.01 2edy n VAL 33 Ca 0.14 0.00 0.22 0.00 -2.04 0.00 0.00 64.34 62.66 2edy n VAL 33 Cb 0.43 -0.11 0.44 0.00 -1.47 0.00 0.00 33.84 33.13 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 2.59 0.00 -0.03 1.34 8.10 -2.00 0.52 115.31 125.82 2edy h LEU 34 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.64 2edy h LEU 34 Cb 1.01 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.23 2edy h LEU 34 CO 0.54 0.00 0.01 0.00 -4.11 0.00 0.00 178.44 174.88 2edy h ALA 35 N 0.64 0.04 -2.15 0.17 0.00 -2.02 -3.31 119.26 112.63 2edy h ALA 35 Ca 0.35 -0.10 -0.80 0.00 0.00 0.00 0.00 54.91 54.36 2edy h ALA 35 Cb 2.39 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 19.88 2edy h ALA 35 CO -0.00 -0.36 0.64 0.39 0.00 0.00 0.00 179.25 179.91 2edy n GLU 36 N -4.97 4.11 -3.62 0.00 -0.58 0.18 -4.88 120.64 110.88 2edy n GLU 36 Ca -0.07 -4.53 -0.27 0.00 -0.42 0.00 0.00 57.16 51.87 2edy n GLU 36 Cb 0.12 -2.52 -0.11 0.00 -0.57 0.00 0.00 31.44 28.36 2edy n GLU 36 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2edy n ARG 37 N 1.78 1.06 -0.44 3.49 1.74 -1.25 -4.38 116.66 118.66 2edy n ARG 37 Ca 0.25 -3.84 0.38 0.00 -0.77 0.00 0.00 57.85 53.87 2edy n ARG 37 Cb 0.35 -1.96 0.64 0.00 -1.02 0.00 0.00 32.46 30.47 2edy n ARG 37 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2edy n ASN 38 N 2.29 0.20 0.00 0.55 2.85 -1.26 -4.69 115.26 115.21 2edy n ASN 38 Ca 0.25 1.32 0.00 0.00 -0.11 0.00 0.00 54.58 56.04 2edy n ASN 38 Cb 0.42 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.79 2edy n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2edy n GLY 39 N -1.48 2.28 3.51 8.20 0.00 -1.26 -5.02 105.19 111.41 2edy n GLY 39 Ca 0.38 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.28 2edy n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2edy s ARG 40 N 2.65 1.74 -0.06 1.61 0.52 -1.26 -5.10 118.95 119.05 2edy s ARG 40 Ca 0.00 -1.93 0.02 0.00 -0.52 0.00 0.00 55.73 53.30 2edy s ARG 40 Cb 0.00 -1.37 -0.03 0.00 0.52 0.00 0.00 34.95 34.07 2edy s ARG 40 CO 0.00 0.00 -0.09 0.42 0.02 0.00 0.00 175.30 175.65 2edy s ILE 41 N -2.88 3.49 0.00 1.52 -1.09 -1.26 -3.95 121.20 117.03 2edy s ILE 41 Ca 0.33 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 2edy s ILE 41 Cb 0.06 -2.41 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 2edy s ILE 41 CO 0.15 0.60 0.00 2.30 -1.23 0.00 0.00 174.94 176.76 2edy n ILE 42 N 2.25 0.00 -3.78 2.92 -5.35 -0.62 -4.96 119.36 109.81 2edy n ILE 42 Ca -0.18 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.31 2edy n ILE 42 Cb 0.53 -0.67 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 2edy n ILE 42 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2edy s SER 43 N -2.84 -0.04 0.26 7.28 0.15 -1.25 -4.74 113.70 112.52 2edy s SER 43 Ca 0.00 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.44 2edy s SER 43 Cb 0.00 0.23 -0.06 0.00 -1.71 0.00 0.00 66.02 64.49 2edy s SER 43 CO 0.00 -0.45 -0.00 -0.31 1.20 0.00 0.00 173.24 173.68 2edy s TYR 44 N -2.34 1.72 -0.29 3.44 1.51 -1.11 -1.02 117.35 119.25 2edy s TYR 44 Ca 0.20 -0.88 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 2edy s TYR 44 Cb 0.02 -1.01 0.09 0.00 -0.11 0.00 0.00 41.96 40.94 2edy s TYR 44 CO -0.01 0.04 0.03 0.99 -1.11 0.00 0.00 175.55 175.49 2edy s THR 45 N -3.31 1.57 -0.72 -0.71 2.01 -0.84 -3.11 115.64 110.53 2edy s THR 45 Ca 0.30 -1.66 -0.25 0.00 0.31 0.00 0.00 61.69 60.39 2edy s THR 45 Cb 0.06 -2.05 0.04 0.00 0.01 0.00 0.00 72.50 70.56 2edy s THR 45 CO 0.11 -0.45 1.18 -0.69 -0.69 0.00 0.00 174.62 174.07 2edy s VAL 46 N 1.30 3.93 -0.32 3.82 1.01 -0.35 -3.20 120.40 126.59 2edy s VAL 46 Ca 0.05 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 2edy s VAL 46 Cb -0.18 -4.84 -0.01 0.00 0.00 0.00 0.00 36.38 31.34 2edy s VAL 46 CO -0.13 -1.73 0.47 -0.69 0.00 0.00 0.00 175.10 173.03 2edy s VAL 47 N 5.16 5.07 -0.04 2.92 1.01 -0.88 -0.81 120.40 132.83 2edy s VAL 47 Ca 0.31 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.76 2edy s VAL 47 Cb -0.11 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2edy s VAL 47 CO 0.13 -0.10 -0.20 0.72 0.00 0.00 0.00 175.10 175.65 2edy s PHE 48 N 2.29 2.52 -0.19 5.22 -0.71 0.70 -0.55 117.98 127.26 2edy s PHE 48 Ca 0.18 -0.30 -0.16 0.00 -1.04 0.00 0.00 56.93 55.61 2edy s PHE 48 Cb -0.16 -1.57 0.05 0.00 -1.21 0.00 0.00 43.02 40.14 2edy s PHE 48 CO 0.12 0.08 0.50 0.50 -1.34 0.00 0.00 175.22 175.07 2edy s ARG 49 N -0.67 0.56 -0.30 1.99 3.52 0.58 -1.11 118.95 123.52 2edy s ARG 49 Ca 0.11 0.73 -0.29 0.00 -0.13 0.00 0.00 55.73 56.15 2edy s ARG 49 Cb -0.10 0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.52 2edy s ARG 49 CO -0.00 -0.09 1.40 0.34 -0.81 0.00 0.00 175.30 176.15 2edy s ASP 50 N 0.48 6.54 0.00 -2.12 2.15 -1.21 0.16 116.67 122.68 2edy s ASP 50 Ca -0.02 1.26 0.01 0.00 0.43 0.00 0.00 52.55 54.23 2edy s ASP 50 Cb -0.04 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.10 2edy s ASP 50 CO -0.02 -1.19 0.97 2.30 -0.17 0.00 0.00 175.17 177.06 2edy n ILE 51 N 6.40 1.60 0.77 4.11 -5.35 -1.21 -0.01 119.36 125.67 2edy n ILE 51 Ca 0.16 0.40 0.09 0.00 -0.27 0.00 0.00 62.75 63.13 2edy n ILE 51 Cb 0.46 -1.38 0.00 0.00 -1.74 0.00 0.00 39.64 36.99 2edy n ILE 51 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2edy n ASN 52 N -1.42 1.79 -4.24 7.28 3.02 -1.26 -4.99 115.26 115.43 2edy n ASN 52 Ca 0.00 -1.39 -0.13 0.00 -0.03 0.00 0.00 54.58 53.03 2edy n ASN 52 Cb 0.01 0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 39.51 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 -1.97 0.71 -0.17 6.41 0.01 0.98 -5.04 113.70 114.63 2edy s SER 53 Ca 0.15 -1.32 0.13 0.00 1.31 0.00 0.00 55.95 56.22 2edy s SER 53 Cb 0.14 0.25 0.67 0.00 0.21 0.00 0.00 66.02 67.29 2edy s SER 53 CO 0.42 -0.74 1.54 1.67 0.41 0.00 0.00 173.24 176.54 2edy n GLN 54 N -0.30 4.03 -2.92 12.44 -0.06 -1.26 -4.49 117.38 124.82 2edy n GLN 54 Ca -0.01 -2.60 -0.43 0.00 -2.00 0.00 0.00 57.00 51.96 2edy n GLN 54 Cb 0.65 -2.05 -0.05 0.00 -4.06 0.00 0.00 30.24 24.73 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2edy s GLN 55 N -2.29 3.45 -0.10 3.69 -0.44 -1.26 -5.03 119.66 117.67 2edy s GLN 55 Ca 0.45 -0.02 -0.01 0.00 -2.50 0.00 0.00 55.36 53.29 2edy s GLN 55 Cb 0.33 -3.94 -0.03 0.00 -1.64 0.00 0.00 33.01 27.74 2edy s GLN 55 CO 0.16 -1.15 -0.06 -2.00 0.50 0.00 0.00 175.29 172.73 2edy s GLU 56 N 3.44 3.10 0.24 1.67 2.12 -1.26 -3.31 118.70 124.71 2edy s GLU 56 Ca 0.32 -0.55 -0.07 0.00 0.36 0.00 0.00 54.97 55.03 2edy s GLU 56 Cb -0.11 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 2edy s GLU 56 CO 0.24 0.49 0.35 -0.51 -0.54 0.00 0.00 175.26 175.29 2edy s LEU 57 N -0.35 0.71 0.18 2.70 1.43 -0.27 -5.02 118.68 118.07 2edy s LEU 57 Ca 0.05 -1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 51.76 2edy s LEU 57 Cb -0.12 1.22 0.05 0.00 0.03 0.00 0.00 46.19 47.36 2edy s LEU 57 CO 0.02 -1.04 0.76 0.00 0.23 0.00 0.00 176.35 176.32 2edy s GLN 58 N -3.97 1.40 0.20 1.70 -2.07 -1.26 -0.22 119.66 115.44 2edy s GLN 58 Ca 0.30 -0.69 -0.03 0.00 -1.82 0.00 0.00 55.36 53.11 2edy s GLN 58 Cb 0.02 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.44 2edy s GLN 58 CO 0.11 -0.63 0.18 -0.80 -1.32 0.00 0.00 175.29 172.83 2edy s ASN 59 N -2.83 0.12 -0.04 12.60 0.02 0.01 -4.95 114.94 119.88 2edy s ASN 59 Ca 0.08 -1.29 0.02 0.00 -1.02 0.00 0.00 52.86 50.64 2edy s ASN 59 Cb -0.03 0.41 0.01 0.00 0.02 0.00 0.00 41.25 41.66 2edy s ASN 59 CO -0.01 -0.88 -0.08 -0.63 0.02 0.00 0.00 177.10 175.52 2edy s ILE 60 N -4.13 0.72 -0.07 0.60 1.01 -1.26 -1.21 121.20 116.87 2edy s ILE 60 Ca 0.35 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 2edy s ILE 60 Cb 0.06 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.88 2edy s ILE 60 CO 0.10 0.25 0.28 0.28 0.00 0.00 0.00 174.94 175.85 2edy s THR 61 N 0.50 0.03 -0.68 2.92 -1.32 -1.18 -5.02 115.64 110.89 2edy s THR 61 Ca -0.08 -0.24 0.02 0.00 -1.21 0.00 0.00 61.69 60.18 2edy s THR 61 Cb -0.11 -0.49 0.11 0.00 -1.51 0.00 0.00 72.50 70.50 2edy s THR 61 CO 0.01 -0.13 0.79 0.35 -2.21 0.00 0.00 174.62 173.43 2edy n THR 62 N 2.20 0.62 -4.32 5.08 -2.24 -1.26 -2.75 114.28 111.60 2edy n THR 62 Ca -0.17 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.23 2edy n THR 62 Cb 0.57 -0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.10 2.22 -0.02 3.42 1.01 -1.26 -4.94 116.67 117.20 2edy s ASP 63 Ca 0.08 -1.06 0.02 0.00 0.71 0.00 0.00 52.55 52.29 2edy s ASP 63 Cb 0.06 -0.08 0.08 0.00 1.01 0.00 0.00 42.92 43.99 2edy s ASP 63 CO 0.02 -0.29 0.70 0.35 0.21 0.00 0.00 175.17 176.17 2edy n THR 64 N -0.34 0.25 -4.06 -1.27 -2.24 -1.26 -4.69 114.28 100.66 2edy n THR 64 Ca -0.08 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 2edy n THR 64 Cb 0.61 -0.38 -0.09 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.31 0.93 -0.12 -0.78 1.04 -1.26 -1.03 118.95 116.43 2edy s ARG 65 Ca 0.05 -1.29 -0.30 0.00 -1.04 0.00 0.00 55.73 53.15 2edy s ARG 65 Cb 0.04 0.28 0.12 0.00 -2.04 0.00 0.00 34.95 33.35 2edy s ARG 65 CO 0.02 -0.28 0.94 0.12 -0.04 0.00 0.00 175.30 176.06 2edy s PHE 66 N -3.99 -0.39 -0.26 5.89 5.36 -1.24 -4.91 117.98 118.44 2edy s PHE 66 Ca 0.18 0.59 0.02 0.00 -0.96 0.00 0.00 56.93 56.76 2edy s PHE 66 Cb 0.06 0.46 0.07 0.00 -0.34 0.00 0.00 43.02 43.27 2edy s PHE 66 CO -0.02 -0.41 -0.05 0.99 -1.46 0.00 0.00 175.22 174.27 2edy s THR 67 N -1.55 1.75 1.23 0.12 2.01 -1.26 0.45 115.64 118.40 2edy s THR 67 Ca -0.01 -1.46 -0.17 0.00 0.31 0.00 0.00 61.69 60.36 2edy s THR 67 Cb -0.01 -2.01 0.30 0.00 0.01 0.00 0.00 72.50 70.79 2edy s THR 67 CO 0.00 -0.16 1.02 -0.76 -0.69 0.00 0.00 174.62 174.03 2edy s LEU 68 N 1.27 0.28 0.30 4.42 2.01 0.25 -4.76 118.68 122.45 2edy s LEU 68 Ca -0.04 1.10 -0.20 0.00 0.01 0.00 0.00 54.13 55.00 2edy s LEU 68 Cb -0.19 -2.86 0.03 0.00 0.01 0.00 0.00 46.19 43.18 2edy s LEU 68 CO -0.07 -4.42 0.76 0.42 1.01 0.00 0.00 176.35 174.05 2edy s THR 69 N -2.57 0.00 -1.65 5.49 -4.23 -1.26 -2.33 115.64 109.09 2edy s THR 69 Ca 0.68 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 60.20 2edy s THR 69 Cb -0.18 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.37 2edy s THR 69 CO 0.60 0.00 0.36 0.61 -0.54 0.00 0.00 174.62 175.65 2edy n GLY 70 N -0.49 -0.51 3.92 3.99 0.00 -1.24 -4.91 105.19 105.95 2edy n GLY 70 Ca -0.05 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.40 3.72 -0.07 0.99 1.43 -0.10 -5.06 118.68 113.19 2edy s LEU 71 Ca 0.18 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2edy s LEU 71 Cb -0.08 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2edy s LEU 71 CO 0.22 -0.44 0.26 -0.75 0.23 0.00 0.00 176.35 175.88 2edy s LYS 72 N -4.10 3.67 0.36 1.70 2.20 -1.26 -4.35 119.74 117.96 2edy s LYS 72 Ca 0.44 0.12 -0.27 0.00 -0.36 0.00 0.00 55.97 55.90 2edy s LYS 72 Cb -0.07 -3.21 -0.09 0.00 -1.51 0.00 0.00 37.83 32.95 2edy s LYS 72 CO 0.29 0.73 1.21 -1.25 -0.36 0.00 0.00 175.35 175.96 2edy s PRO 73 N -1.02 4.23 -1.17 4.03 0.04 -0.89 -3.54 135.00 136.67 2edy s PRO 73 Ca 0.19 1.96 -0.02 0.00 0.04 0.00 0.00 61.00 63.17 2edy s PRO 73 Cb -0.14 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2edy s PRO 73 CO 0.08 -0.21 0.99 -3.47 0.04 0.00 0.00 177.00 174.43 2edy n ASP 74 N 0.46 -3.07 -3.69 6.66 2.03 -1.09 -4.85 116.55 112.99 2edy n ASP 74 Ca 0.02 -0.56 -0.13 0.00 0.52 0.00 0.00 54.79 54.63 2edy n ASP 74 Cb 0.45 -4.84 -0.13 0.00 -0.72 0.00 0.00 41.12 35.88 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 -3.33 -0.22 0.25 5.18 2.01 -1.23 -4.97 115.64 113.33 2edy s THR 75 Ca 0.14 0.22 -0.31 0.00 0.31 0.00 0.00 61.69 62.06 2edy s THR 75 Cb -0.06 -0.40 -0.11 0.00 0.01 0.00 0.00 72.50 71.94 2edy s THR 75 CO 0.69 0.09 1.60 -0.89 -0.69 0.00 0.00 174.62 175.42 2edy s THR 76 N 1.85 2.21 -0.25 -0.82 2.01 -1.26 -2.90 115.64 116.48 2edy s THR 76 Ca -0.04 0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 2edy s THR 76 Cb -0.11 -3.11 0.07 0.00 0.01 0.00 0.00 72.50 69.36 2edy s THR 76 CO -0.08 0.02 0.00 -0.31 -0.69 0.00 0.00 174.62 173.56 2edy s TYR 77 N 0.45 2.09 -0.54 4.92 2.02 -1.19 -3.34 117.35 121.77 2edy s TYR 77 Ca 0.67 -1.67 -0.26 0.00 -0.37 0.00 0.00 57.07 55.43 2edy s TYR 77 Cb -0.47 -1.61 -0.05 0.00 -0.40 0.00 0.00 41.96 39.44 2edy s TYR 77 CO 0.41 -0.78 2.16 0.34 -1.57 0.00 0.00 175.55 176.12 2edy s ASP 78 N 1.49 4.81 -0.12 2.29 -1.08 0.43 -1.92 116.67 122.58 2edy s ASP 78 Ca -0.00 0.76 -0.02 0.00 -0.52 0.00 0.00 52.55 52.77 2edy s ASP 78 Cb -0.18 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.74 2edy s ASP 78 CO -0.10 -2.65 -0.06 -0.63 0.52 0.00 0.00 175.17 172.25 2edy s ILE 79 N 10.79 3.74 0.25 4.11 1.01 -1.26 -0.31 121.20 139.53 2edy s ILE 79 Ca 0.84 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 61.10 2edy s ILE 79 Cb -0.15 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 2edy s ILE 79 CO 0.24 0.54 0.16 2.29 0.00 0.00 0.00 174.94 178.16 2edy n LYS 80 N 3.04 0.44 -3.78 2.79 2.85 0.29 -1.29 118.16 122.50 2edy n LYS 80 Ca -0.18 -2.32 -0.10 0.00 -1.05 0.00 0.00 58.31 54.67 2edy n LYS 80 Cb 0.53 1.64 -0.06 0.00 -0.65 0.00 0.00 35.03 36.49 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 -2.80 0.08 -0.20 0.58 0.11 -1.26 -2.07 120.40 114.84 2edy s VAL 81 Ca 0.22 -0.95 -0.15 0.00 -2.93 0.00 0.00 61.98 58.17 2edy s VAL 81 Cb 0.01 -1.44 0.06 0.00 -1.53 0.00 0.00 36.38 33.47 2edy s VAL 81 CO 0.16 -0.35 0.51 0.00 -3.33 0.00 0.00 175.10 172.09 2edy s ARG 82 N -3.87 0.56 0.21 1.54 1.70 -1.19 0.39 118.95 118.28 2edy s ARG 82 Ca 0.08 0.83 -0.28 0.00 -0.47 0.00 0.00 55.73 55.89 2edy s ARG 82 Cb 0.02 0.17 -0.09 0.00 -0.57 0.00 0.00 34.95 34.48 2edy s ARG 82 CO -0.07 -0.11 0.88 0.00 -1.08 0.00 0.00 175.30 174.91 2edy s ALA 83 N 0.87 3.38 -0.09 7.88 0.00 -1.26 -1.98 121.76 130.55 2edy s ALA 83 Ca -0.05 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.46 2edy s ALA 83 Cb -0.05 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 2edy s ALA 83 CO -0.07 0.24 -0.18 -1.58 0.00 0.00 0.00 175.76 174.17 2edy s TRP 84 N -1.17 2.66 0.28 0.00 0.52 -0.19 -3.53 118.94 117.52 2edy s TRP 84 Ca 0.39 -0.65 0.07 0.00 0.02 0.00 0.00 56.10 55.94 2edy s TRP 84 Cb -0.25 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 2edy s TRP 84 CO 0.30 -0.18 0.20 0.95 0.02 0.00 0.00 176.95 178.24 2edy s THR 85 N 0.03 4.04 0.61 2.01 -4.23 0.58 -1.59 115.64 117.09 2edy s THR 85 Ca -0.07 -1.45 0.26 0.00 -1.18 0.00 0.00 61.69 59.25 2edy s THR 85 Cb -0.15 -3.27 0.35 0.00 1.34 0.00 0.00 72.50 70.77 2edy s THR 85 CO 0.05 -0.29 1.62 0.77 -0.54 0.00 0.00 174.62 176.23 2edy h SER 86 N 1.46 0.00 0.00 3.99 4.64 -1.94 -0.94 113.55 120.76 2edy h SER 86 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2edy h SER 86 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2edy h SER 86 CO 0.60 0.00 -0.03 0.11 -0.87 0.00 0.00 176.83 176.64 2edy h LYS 87 N 0.00 0.00 0.00 4.77 6.56 -1.93 -3.51 116.57 122.46 2edy h LYS 87 Ca 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 2edy h LYS 87 Cb 1.81 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.47 2edy h LYS 87 CO -0.00 0.07 0.00 0.41 -2.06 0.00 0.00 179.45 177.87 2edy n GLY 88 N 1.76 1.92 3.59 3.86 0.00 -0.36 -4.91 105.19 111.06 2edy n GLY 88 Ca -0.01 0.14 -0.27 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 3.49 0.00 1.61 0.15 -1.26 -0.31 113.70 119.38 2edy s SER 89 Ca 0.00 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.22 2edy s SER 89 Cb 0.00 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2edy s SER 89 CO 0.00 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2edy n GLY 90 N -0.94 5.45 3.09 9.45 0.00 -1.23 -4.09 105.19 116.92 2edy n GLY 90 Ca -0.06 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 2edy n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edy n PRO 91 N 0.00 -2.90 -4.02 1.61 -0.04 -1.23 -4.28 135.00 124.13 2edy n PRO 91 Ca 0.00 -1.54 -0.30 0.00 -0.04 0.00 0.00 63.50 61.62 2edy n PRO 91 Cb 0.00 -1.44 -0.16 0.00 -0.04 0.00 0.00 33.50 31.85 2edy n PRO 91 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2edy s LEU 92 N 0.00 1.82 0.77 1.53 1.43 -1.26 -4.56 118.68 118.40 2edy s LEU 92 Ca 0.63 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 2edy s LEU 92 Cb -0.06 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 2edy s LEU 92 CO 0.48 -0.07 0.52 -1.54 0.23 0.00 0.00 176.35 175.97 2edy n SER 93 N 4.75 -1.33 -4.64 2.29 3.41 0.16 -4.86 113.62 113.40 2edy n SER 93 Ca -0.17 0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 58.55 2edy n SER 93 Cb 0.49 -1.22 -0.03 0.00 -0.26 0.00 0.00 64.21 63.20 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 -2.97 3.99 0.72 4.33 0.04 -1.26 -4.35 135.00 135.50 2edy s PRO 94 Ca 0.64 1.82 -0.16 0.00 0.04 0.00 0.00 61.00 63.33 2edy s PRO 94 Cb -0.32 -3.97 -0.06 0.00 0.04 0.00 0.00 34.50 30.18 2edy s PRO 94 CO 0.60 -1.06 0.29 -1.13 0.04 0.00 0.00 177.00 175.74 2edy n SER 95 N 7.73 -2.10 -0.04 6.66 3.41 -1.26 -4.85 113.62 123.16 2edy n SER 95 Ca 0.17 0.55 -0.02 0.00 -0.26 0.00 0.00 58.87 59.32 2edy n SER 95 Cb 0.44 -1.11 -0.09 0.00 -0.26 0.00 0.00 64.21 63.19 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 -2.30 0.55 -3.10 -1.33 -5.35 -0.41 -4.91 119.36 102.50 2edy n ILE 96 Ca 0.08 -0.43 -0.13 0.00 -0.27 0.00 0.00 62.75 62.00 2edy n ILE 96 Cb 0.50 -0.40 0.07 0.00 -1.74 0.00 0.00 39.64 38.07 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 -2.28 -4.35 -2.22 6.28 6.02 -1.23 -4.91 117.38 114.70 2edy n GLN 97 Ca -0.14 0.70 -0.41 0.00 -0.01 0.00 0.00 57.00 57.15 2edy n GLN 97 Cb 0.71 -5.21 -0.03 0.00 1.02 0.00 0.00 30.24 26.73 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 -3.87 5.89 -0.36 1.08 0.15 -0.81 -4.26 113.70 111.51 2edy s SER 98 Ca 0.12 0.56 -0.29 0.00 0.70 0.00 0.00 55.95 57.03 2edy s SER 98 Cb -0.02 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2edy s SER 98 CO 0.60 -1.85 1.28 -0.60 1.20 0.00 0.00 173.24 173.88 2edy s ARG 99 N 5.86 3.80 0.64 5.44 3.52 -1.26 -3.14 118.95 133.81 2edy s ARG 99 Ca 0.62 1.02 -0.17 0.00 -0.13 0.00 0.00 55.73 57.07 2edy s ARG 99 Cb -0.14 -3.91 -0.10 0.00 -1.56 0.00 0.00 34.95 29.24 2edy s ARG 99 CO 0.26 -1.27 0.14 0.25 -0.81 0.00 0.00 175.30 173.87 2edy n THR 100 N 6.53 1.05 -1.98 4.11 -2.24 -1.14 -4.79 114.28 115.82 2edy n THR 100 Ca 0.14 -0.47 -0.40 0.00 -2.27 0.00 0.00 64.05 61.05 2edy n THR 100 Cb 0.47 -0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.88 4.11 -0.81 -0.78 0.00 -1.24 -2.68 119.30 116.01 2edy s MET 101 Ca 0.60 2.31 -0.25 0.00 0.00 0.00 0.00 55.69 58.35 2edy s MET 101 Cb -0.41 -2.91 -0.04 0.00 0.00 0.00 0.00 34.83 31.48 2edy s MET 101 CO 0.63 -0.43 1.92 -1.25 0.00 0.00 0.00 175.02 175.89 2edy s PRO 102 N -2.07 2.58 0.00 3.16 0.04 -1.26 -3.35 135.00 134.10 2edy s PRO 102 Ca 0.53 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.56 2edy s PRO 102 Cb -0.41 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.27 2edy s PRO 102 CO 0.55 -3.18 0.01 1.55 0.04 0.00 0.00 177.00 175.97