#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ec2 s TYR 3 N 0.00 3.10 0.47 4.31 1.51 -1.26 -4.87 117.35 120.61 2ec2 s TYR 3 Ca 0.00 -1.57 -0.19 0.00 -1.01 0.00 0.00 57.07 54.29 2ec2 s TYR 3 Cb 0.00 -2.08 -0.10 0.00 -0.11 0.00 0.00 41.96 39.68 2ec2 s TYR 3 CO 0.00 -0.73 0.97 0.15 -1.11 0.00 0.00 175.55 174.83 2ec2 s LYS 4 N 1.32 4.07 -0.11 -0.62 1.02 -1.06 -4.89 119.74 119.47 2ec2 s LYS 4 Ca -0.01 1.10 -0.17 0.00 0.02 0.00 0.00 55.97 56.92 2ec2 s LYS 4 Cb -0.17 -2.15 0.04 0.00 -0.52 0.00 0.00 37.83 35.03 2ec2 s LYS 4 CO -0.03 -0.17 0.43 -1.54 -0.92 0.00 0.00 175.35 173.12 2ec2 s SER 5 N -2.42 -0.41 0.00 2.83 1.04 -1.26 0.08 113.70 113.56 2ec2 s SER 5 Ca 0.62 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.69 2ec2 s SER 5 Cb -0.10 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2ec2 s SER 5 CO 0.20 -0.29 0.00 0.35 0.98 0.00 0.00 173.24 174.48 2ec2 n THR 6 N 2.17 0.00 0.15 2.02 -2.24 0.24 -4.98 114.28 111.64 2ec2 n THR 6 Ca -0.16 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.56 2ec2 n THR 6 Cb 0.57 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 2ec2 n THR 6 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2ec2 h ARG 7 N 0.00 -0.37 -0.02 -0.78 3.08 -2.05 -3.38 114.38 110.86 2ec2 h ARG 7 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2ec2 h ARG 7 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2ec2 h ARG 7 CO 0.00 -0.25 -0.24 0.72 -1.07 0.00 0.00 179.97 179.14 2ec2 n HIS 8 N -3.31 0.00 -4.74 3.04 8.25 -1.26 -4.90 115.22 112.30 2ec2 n HIS 8 Ca -0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.15 2ec2 n HIS 8 Cb 0.15 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.12 2ec2 n HIS 8 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ec2 s ALA 9 N -2.08 1.82 -0.21 -1.41 0.00 -1.26 -5.09 121.76 113.52 2ec2 s ALA 9 Ca 0.21 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 2ec2 s ALA 9 Cb 0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 2ec2 s ALA 9 CO 0.41 0.42 -0.07 0.21 0.00 0.00 0.00 175.76 176.73 2ec2 s LYS 10 N -1.08 3.31 0.02 0.00 2.47 -1.26 -0.59 119.74 122.61 2ec2 s LYS 10 Ca 0.08 -0.66 0.01 0.00 -1.56 0.00 0.00 55.97 53.84 2ec2 s LYS 10 Cb -0.09 -2.94 -0.02 0.00 -1.46 0.00 0.00 37.83 33.33 2ec2 s LYS 10 CO 0.01 -0.20 -0.04 1.52 0.16 0.00 0.00 175.35 176.80 2ec2 s TYR 11 N 1.45 0.39 -0.22 4.03 -0.85 0.11 -4.98 117.35 117.28 2ec2 s TYR 11 Ca 0.06 -0.40 -0.02 0.00 -0.52 0.00 0.00 57.07 56.19 2ec2 s TYR 11 Cb -0.14 -0.25 0.07 0.00 0.38 0.00 0.00 41.96 42.02 2ec2 s TYR 11 CO -0.05 -0.11 0.05 -1.17 -1.52 0.00 0.00 175.55 172.75 2ec2 s LEU 12 N -1.14 1.40 -0.45 -3.49 0.20 -1.26 -2.57 118.68 111.36 2ec2 s LEU 12 Ca -0.10 -1.00 0.04 0.00 0.69 0.00 0.00 54.13 53.76 2ec2 s LEU 12 Cb -0.08 -0.66 0.12 0.00 -0.43 0.00 0.00 46.19 45.14 2ec2 s LEU 12 CO -0.00 -0.33 0.18 0.00 -0.29 0.00 0.00 176.35 175.91 2ec2 s ASN 14 N 0.17 6.21 -0.01 0.00 0.01 -1.26 -1.39 114.94 118.68 2ec2 s ASN 14 Ca 0.15 0.39 0.00 0.00 -0.71 0.00 0.00 52.86 52.69 2ec2 s ASN 14 Cb -0.23 -1.96 0.01 0.00 0.41 0.00 0.00 41.25 39.47 2ec2 s ASN 14 CO -0.03 0.37 -0.00 -0.31 -1.51 0.00 0.00 177.10 175.62 2ec2 s TYR 15 N -1.07 0.07 -0.16 2.20 1.51 -0.26 -3.27 117.35 116.37 2ec2 s TYR 15 Ca 0.17 0.01 -0.23 0.00 -1.01 0.00 0.00 57.07 56.02 2ec2 s TYR 15 Cb -0.12 -0.09 -0.02 0.00 -0.11 0.00 0.00 41.96 41.61 2ec2 s TYR 15 CO 0.07 -0.02 0.72 -1.01 -1.11 0.00 0.00 175.55 174.19 2ec2 s HIS 16 N 0.22 3.44 -0.11 2.71 3.76 0.24 -2.32 115.29 123.23 2ec2 s HIS 16 Ca -0.02 1.12 -0.00 0.00 -0.15 0.00 0.00 55.06 56.01 2ec2 s HIS 16 Cb -0.03 -2.88 -0.02 0.00 1.11 0.00 0.00 32.58 30.76 2ec2 s HIS 16 CO -0.01 -0.13 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.60 2ec2 s PHE 17 N 1.73 2.90 -0.05 1.40 0.40 0.48 -1.30 117.98 123.54 2ec2 s PHE 17 Ca 0.34 -0.29 -0.01 0.00 -0.60 0.00 0.00 56.93 56.38 2ec2 s PHE 17 Cb -0.16 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.58 2ec2 s PHE 17 CO 0.13 0.05 0.01 0.08 0.70 0.00 0.00 175.22 176.19 2ec2 s VAL 18 N -0.11 0.20 0.25 -0.44 1.01 0.67 -1.10 120.40 120.87 2ec2 s VAL 18 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 2ec2 s VAL 18 Cb -0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2ec2 s VAL 18 CO 0.03 0.20 0.35 -1.66 0.00 0.00 0.00 175.10 174.02 2ec2 s TRP 19 N 1.59 0.76 0.13 5.22 -2.14 -1.15 0.73 118.94 124.09 2ec2 s TRP 19 Ca -0.02 -1.04 0.00 0.00 2.66 0.00 0.00 56.10 57.70 2ec2 s TRP 19 Cb -0.13 -0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.08 2ec2 s TRP 19 CO -0.03 -0.89 0.01 0.96 -2.66 0.00 0.00 176.95 174.34 2ec2 s ILE 20 N -3.93 0.40 0.59 0.66 -4.36 -1.26 -0.95 121.20 112.35 2ec2 s ILE 20 Ca 0.30 -1.93 -0.19 0.00 -0.26 0.00 0.00 60.65 58.57 2ec2 s ILE 20 Cb 0.02 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.73 2ec2 s ILE 20 CO 0.12 -0.58 1.20 -2.84 0.24 0.00 0.00 174.94 173.08 2ec2 s PRO 21 N -3.96 2.99 0.32 0.37 0.02 -1.26 -3.31 135.00 130.18 2ec2 s PRO 21 Ca 0.20 1.81 0.08 0.00 0.02 0.00 0.00 61.00 63.12 2ec2 s PRO 21 Cb 0.07 -1.93 0.91 0.00 0.02 0.00 0.00 34.50 33.57 2ec2 s PRO 21 CO 0.00 -1.18 1.62 -0.22 -0.33 0.00 0.00 177.00 176.89 2ec2 h LYS 22 N 0.90 0.14 -4.16 5.54 1.63 -1.29 -3.38 116.57 115.95 2ec2 h LYS 22 Ca -0.50 -0.01 -0.33 0.00 -0.85 0.00 0.00 60.65 58.96 2ec2 h LYS 22 Cb 1.30 -0.03 -0.30 0.00 -0.60 0.00 0.00 32.23 32.60 2ec2 h LYS 22 CO 0.55 0.09 -0.75 0.71 -3.45 0.00 0.00 179.45 176.60 2ec2 s TYR 23 N -5.82 0.43 0.00 1.91 1.51 -1.26 -4.83 117.35 109.29 2ec2 s TYR 23 Ca -0.11 -0.08 -0.00 0.00 -1.01 0.00 0.00 57.07 55.86 2ec2 s TYR 23 Cb 0.29 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.80 2ec2 s TYR 23 CO 0.78 -0.04 0.65 0.54 -1.11 0.00 0.00 175.55 176.37 2ec2 n ARG 24 N 3.20 0.27 0.00 -0.62 1.74 -1.26 -4.45 116.66 115.53 2ec2 n ARG 24 Ca -0.16 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 2ec2 n ARG 24 Cb 0.57 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 2ec2 n ARG 24 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ec2 n ARG 25 N 2.27 0.38 -3.92 5.56 5.12 -1.26 -4.71 116.66 120.11 2ec2 n ARG 25 Ca 0.03 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.70 2ec2 n ARG 25 Cb 0.13 -1.18 -0.01 0.00 -1.16 0.00 0.00 32.46 30.23 2ec2 n ARG 25 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2ec2 n LYS 26 N 0.28 -3.67 0.08 5.56 5.02 -1.26 -4.87 118.16 119.30 2ec2 n LYS 26 Ca 0.00 0.45 -0.12 0.00 -2.02 0.00 0.00 58.31 56.62 2ec2 n LYS 26 Cb 0.09 -4.71 -0.05 0.00 -0.02 0.00 0.00 35.03 30.35 2ec2 n LYS 26 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2ec2 h VAL 27 N -1.83 1.46 -0.51 -0.18 2.07 -1.83 -3.37 116.25 112.04 2ec2 h VAL 27 Ca -0.62 -2.62 -0.73 0.00 0.82 0.00 0.00 66.70 63.55 2ec2 h VAL 27 Cb 1.37 2.53 -0.08 0.00 -1.52 0.00 0.00 31.29 33.59 2ec2 h VAL 27 CO 0.62 0.77 2.72 0.18 0.02 0.00 0.00 177.57 181.88 2ec2 n LEU 28 N -3.67 6.74 -3.94 2.57 4.77 -0.98 -4.68 117.00 117.81 2ec2 n LEU 28 Ca -0.06 -4.31 -0.12 0.00 -0.03 0.00 0.00 56.01 51.49 2ec2 n LEU 28 Cb 0.86 -1.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.22 2ec2 n LEU 28 CO 0.50 1.18 -0.38 0.42 -1.33 0.00 0.00 177.39 177.78 2ec2 s THR 29 N 2.23 0.19 0.00 -5.08 -4.23 -1.26 -3.39 115.64 104.10 2ec2 s THR 29 Ca 0.45 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2ec2 s THR 29 Cb 0.12 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.74 2ec2 s THR 29 CO -0.05 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 2ec2 n GLY 30 N 2.54 2.96 0.16 3.99 0.00 -1.26 -2.34 105.19 111.25 2ec2 n GLY 30 Ca -0.16 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2ec2 n GLY 30 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ec2 h GLU 31 N 0.00 0.00 -0.09 1.61 4.57 -1.97 -2.66 114.58 116.05 2ec2 h GLU 31 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 2ec2 h GLU 31 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2ec2 h GLU 31 CO 0.00 0.43 -0.36 0.28 -1.18 0.00 0.00 179.01 178.18 2ec2 h VAL 32 N 0.00 1.40 -0.99 0.32 2.07 -1.77 -2.87 116.25 114.40 2ec2 h VAL 32 Ca -0.00 -1.73 0.13 0.00 0.82 0.00 0.00 66.70 65.92 2ec2 h VAL 32 Cb 1.21 2.25 -0.09 0.00 -1.52 0.00 0.00 31.29 33.15 2ec2 h VAL 32 CO 0.06 0.50 0.63 0.00 0.02 0.00 0.00 177.57 178.78 2ec2 h ALA 33 N 0.46 1.57 0.49 1.67 0.00 -1.57 -1.24 119.26 120.63 2ec2 h ALA 33 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2ec2 h ALA 33 Cb 1.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ec2 h ALA 33 CO 0.08 0.17 -0.23 1.49 0.00 0.00 0.00 179.25 180.75 2ec2 h GLU 34 N 0.94 -0.63 -0.80 0.00 4.22 -1.45 -2.66 114.58 114.20 2ec2 h GLU 34 Ca 0.50 0.04 0.19 0.00 0.08 0.00 0.00 59.36 60.18 2ec2 h GLU 34 Cb 0.56 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.82 2ec2 h GLU 34 CO -0.27 -0.42 0.07 -0.92 -2.18 0.00 0.00 179.01 175.29 2ec2 h TYR 35 N -0.77 0.06 0.45 0.92 3.20 -1.40 0.47 116.97 119.91 2ec2 h TYR 35 Ca -0.07 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2ec2 h TYR 35 Cb 0.50 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2ec2 h TYR 35 CO 0.08 -0.23 -0.48 1.15 -1.64 0.00 0.00 178.16 177.03 2ec2 h THR 36 N 0.13 0.05 -0.74 1.81 2.02 -1.25 0.81 112.91 115.75 2ec2 h THR 36 Ca 0.45 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.72 2ec2 h THR 36 Cb 0.84 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 2ec2 h THR 36 CO -0.67 0.00 0.49 0.50 0.37 0.00 0.00 175.52 176.21 2ec2 h LYS 37 N -0.95 0.65 -0.42 6.66 3.64 -1.00 0.28 116.57 125.42 2ec2 h LYS 37 Ca -0.05 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2ec2 h LYS 37 Cb 0.84 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2ec2 h LYS 37 CO -0.08 0.43 -0.06 1.49 -2.27 0.00 0.00 179.45 178.96 2ec2 h GLU 38 N 0.67 0.79 0.18 1.90 4.22 0.15 -3.02 114.58 119.47 2ec2 h GLU 38 Ca 0.34 -0.28 -0.26 0.00 0.08 0.00 0.00 59.36 59.24 2ec2 h GLU 38 Cb 0.43 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.65 2ec2 h GLU 38 CO -0.12 0.89 -1.17 -0.39 -2.18 0.00 0.00 179.01 176.04 2ec2 h VAL 39 N 0.61 1.34 -0.95 0.32 -1.51 0.11 -3.10 116.25 113.08 2ec2 h VAL 39 Ca 0.11 -2.58 0.20 0.00 -1.23 0.00 0.00 66.70 63.20 2ec2 h VAL 39 Cb 0.57 3.07 -0.11 0.00 -2.13 0.00 0.00 31.29 32.69 2ec2 h VAL 39 CO 0.03 0.76 0.53 -0.07 -1.23 0.00 0.00 177.57 177.59 2ec2 h LEU 40 N -0.16 0.62 -0.84 4.19 3.38 -1.07 0.18 115.31 121.62 2ec2 h LEU 40 Ca -0.21 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2ec2 h LEU 40 Cb 1.86 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.59 2ec2 h LEU 40 CO 0.19 0.18 0.45 -0.09 0.09 0.00 0.00 178.44 179.26 2ec2 h ARG 41 N 0.63 1.18 0.06 1.13 2.43 -1.55 -2.21 114.38 116.05 2ec2 h ARG 41 Ca 0.56 -0.14 -0.25 0.00 -0.81 0.00 0.00 59.98 59.34 2ec2 h ARG 41 Cb 0.93 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2ec2 h ARG 41 CO -0.42 0.87 -1.08 0.00 -1.51 0.00 0.00 179.97 177.83 2ec2 h THR 42 N 1.17 1.46 -0.79 0.20 1.03 -0.79 -3.00 112.91 112.19 2ec2 h THR 42 Ca 0.29 -2.77 0.10 0.00 -0.01 0.00 0.00 66.41 64.02 2ec2 h THR 42 Cb 0.04 2.68 -0.07 0.00 -1.07 0.00 0.00 68.15 69.74 2ec2 h THR 42 CO -0.05 0.81 0.43 0.40 -0.01 0.00 0.00 175.52 177.11 2ec2 h ILE 43 N 0.14 0.88 -0.50 0.00 2.04 -0.63 -1.55 117.51 117.88 2ec2 h ILE 43 Ca -0.10 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 2ec2 h ILE 43 Cb 1.76 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2ec2 h ILE 43 CO 0.18 0.13 -0.08 0.00 0.00 0.00 0.00 178.15 178.38 2ec2 h ALA 44 N 1.45 0.92 -0.76 1.87 0.00 -1.42 -2.57 119.26 118.76 2ec2 h ALA 44 Ca 0.38 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ec2 h ALA 44 Cb 0.38 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2ec2 h ALA 44 CO -0.26 0.63 0.47 1.49 0.00 0.00 0.00 179.25 181.58 2ec2 h GLU 45 N 0.81 0.88 -0.55 0.00 4.22 -1.29 0.11 114.58 118.76 2ec2 h GLU 45 Ca 0.14 -0.05 0.07 0.00 0.08 0.00 0.00 59.36 59.60 2ec2 h GLU 45 Cb 0.59 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2ec2 h GLU 45 CO 0.04 0.58 0.22 0.93 -2.18 0.00 0.00 179.01 178.60 2ec2 h GLU 46 N 0.90 0.41 0.00 1.92 5.08 -0.92 -2.87 114.58 119.10 2ec2 h GLU 46 Ca 0.31 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 2ec2 h GLU 46 Cb 0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2ec2 h GLU 46 CO -0.13 0.27 -0.59 -0.07 -1.00 0.00 0.00 179.01 177.48 2ec2 h LEU 47 N 0.42 0.00 0.00 1.33 3.38 -1.09 -3.47 115.31 115.87 2ec2 h LEU 47 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2ec2 h LEU 47 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2ec2 h LEU 47 CO -0.25 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.49 2ec2 n GLY 48 N 0.78 1.96 3.79 0.83 0.00 -0.52 -4.85 105.19 107.19 2ec2 n GLY 48 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2ec2 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ec2 s GLU 50 N -2.34 3.58 -0.44 0.00 2.12 -0.76 -4.13 118.70 116.72 2ec2 s GLU 50 Ca 0.29 0.01 -0.21 0.00 0.36 0.00 0.00 54.97 55.42 2ec2 s GLU 50 Cb -0.12 -3.17 0.03 0.00 0.26 0.00 0.00 34.13 31.12 2ec2 s GLU 50 CO 0.22 0.73 0.67 0.08 -0.54 0.00 0.00 175.26 176.41 2ec2 s VAL 51 N -1.10 4.80 -0.05 3.70 1.01 -1.26 -1.79 120.40 125.72 2ec2 s VAL 51 Ca 0.20 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 2ec2 s VAL 51 Cb -0.13 -4.23 -0.28 0.00 0.00 0.00 0.00 36.38 31.73 2ec2 s VAL 51 CO 0.09 -0.63 0.95 -0.07 0.00 0.00 0.00 175.10 175.43 2ec2 h LEU 52 N 9.78 0.40 -7.86 3.92 3.38 -1.60 -3.48 115.31 119.85 2ec2 h LEU 52 Ca -0.25 -0.89 -0.07 0.00 0.09 0.00 0.00 57.88 56.75 2ec2 h LEU 52 Cb 1.09 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 2ec2 h LEU 52 CO 0.91 1.26 -0.20 0.00 0.09 0.00 0.00 178.44 180.50 2ec2 s ALA 53 N -2.68 -0.40 -0.30 1.53 0.00 -0.99 -5.02 121.76 113.91 2ec2 s ALA 53 Ca -0.14 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 2ec2 s ALA 53 Cb 0.01 0.80 0.18 0.00 0.00 0.00 0.00 23.12 24.11 2ec2 s ALA 53 CO 0.80 -0.68 0.98 -1.17 0.00 0.00 0.00 175.76 175.69 2ec2 s LEU 54 N -2.91 -0.61 -0.16 0.00 2.96 -1.26 -0.79 118.68 115.91 2ec2 s LEU 54 Ca 0.12 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2ec2 s LEU 54 Cb 0.02 1.52 0.02 0.00 0.50 0.00 0.00 46.19 48.25 2ec2 s LEU 54 CO -0.03 -0.11 -0.20 -1.83 -1.32 0.00 0.00 176.35 172.86 2ec2 s GLU 55 N 2.91 2.85 -1.10 1.98 1.03 -0.83 -5.02 118.70 120.51 2ec2 s GLU 55 Ca 0.02 -0.78 -0.13 0.00 0.03 0.00 0.00 54.97 54.11 2ec2 s GLU 55 Cb -0.11 -2.42 0.21 0.00 -0.80 0.00 0.00 34.13 31.01 2ec2 s GLU 55 CO -0.13 -0.14 1.22 0.08 -1.33 0.00 0.00 175.26 174.96 2ec2 s VAL 56 N 1.14 5.38 0.72 1.83 1.01 -1.26 -2.19 120.40 127.04 2ec2 s VAL 56 Ca 0.00 -2.76 -0.12 0.00 0.00 0.00 0.00 61.98 59.11 2ec2 s VAL 56 Cb -0.14 -4.75 0.03 0.00 0.00 0.00 0.00 36.38 31.52 2ec2 s VAL 56 CO -0.08 -1.40 1.09 -0.04 0.00 0.00 0.00 175.10 174.67 2ec2 s MET 57 N 0.61 2.54 0.48 2.72 -1.94 -0.18 -4.92 119.30 118.62 2ec2 s MET 57 Ca 0.35 1.22 0.16 0.00 -1.71 0.00 0.00 55.69 55.71 2ec2 s MET 57 Cb -0.06 -1.93 1.15 0.00 2.01 0.00 0.00 34.83 36.00 2ec2 s MET 57 CO -0.05 -1.43 2.06 -1.35 -0.01 0.00 0.00 175.02 174.24 2ec2 h PRO 58 N -0.66 0.00 -0.01 2.03 0.11 -1.95 -2.89 132.00 128.62 2ec2 h PRO 58 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2ec2 h PRO 58 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ec2 h PRO 58 CO 0.53 0.11 -0.03 -0.40 -0.21 0.00 0.00 178.00 178.00 2ec2 n ASP 59 N -4.34 1.59 -3.80 -2.05 5.75 -1.26 -2.31 116.55 110.13 2ec2 n ASP 59 Ca -0.03 -1.29 -0.10 0.00 -0.01 0.00 0.00 54.79 53.37 2ec2 n ASP 59 Cb 0.19 0.08 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 2ec2 n ASP 59 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2ec2 s HIS 60 N -0.77 0.08 -0.05 2.11 -3.43 -1.09 -4.22 115.29 107.92 2ec2 s HIS 60 Ca 0.09 -0.44 0.04 0.00 -0.80 0.00 0.00 55.06 53.95 2ec2 s HIS 60 Cb 0.07 0.10 -0.03 0.00 -1.43 0.00 0.00 32.58 31.29 2ec2 s HIS 60 CO 0.12 -0.69 -0.15 0.42 -2.00 0.00 0.00 174.74 172.43 2ec2 s ILE 61 N -3.87 2.96 -0.26 -5.38 1.01 -0.13 -1.01 121.20 114.51 2ec2 s ILE 61 Ca 0.08 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2ec2 s ILE 61 Cb 0.03 -2.15 0.07 0.00 0.01 0.00 0.00 42.46 40.42 2ec2 s ILE 61 CO -0.07 0.59 -0.01 -2.28 0.00 0.00 0.00 174.94 173.17 2ec2 s HIS 62 N -0.72 2.53 -0.23 3.97 5.65 -0.93 -2.92 115.29 122.65 2ec2 s HIS 62 Ca 0.11 -1.98 -0.06 0.00 0.25 0.00 0.00 55.06 53.38 2ec2 s HIS 62 Cb -0.11 -1.84 -0.03 0.00 -1.18 0.00 0.00 32.58 29.43 2ec2 s HIS 62 CO 0.00 -0.82 0.04 -1.17 -0.65 0.00 0.00 174.74 172.14 2ec2 s LEU 63 N 1.34 3.41 -0.17 8.88 2.96 -0.26 -1.97 118.68 132.86 2ec2 s LEU 63 Ca -0.01 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2ec2 s LEU 63 Cb -0.19 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 2ec2 s LEU 63 CO -0.09 0.02 -0.11 0.12 -1.32 0.00 0.00 176.35 174.96 2ec2 s PHE 64 N 1.28 2.85 0.03 5.38 5.36 0.03 -0.39 117.98 132.52 2ec2 s PHE 64 Ca 0.04 -0.93 -0.04 0.00 -0.96 0.00 0.00 56.93 55.04 2ec2 s PHE 64 Cb -0.15 -1.95 -0.01 0.00 -0.34 0.00 0.00 43.02 40.57 2ec2 s PHE 64 CO 0.03 -0.44 0.07 0.14 -1.46 0.00 0.00 175.22 173.55 2ec2 s VAL 65 N 0.92 0.14 -0.36 3.12 -7.23 -0.98 -1.44 120.40 114.56 2ec2 s VAL 65 Ca -0.02 -1.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.95 2ec2 s VAL 65 Cb -0.15 -0.85 0.05 0.00 0.56 0.00 0.00 36.38 36.00 2ec2 s VAL 65 CO -0.01 -0.62 0.16 0.21 -0.31 0.00 0.00 175.10 174.53 2ec2 s ASN 66 N -2.08 5.43 0.25 4.85 3.84 -0.74 -1.10 114.94 125.39 2ec2 s ASN 66 Ca -0.06 -1.27 0.08 0.00 0.21 0.00 0.00 52.86 51.82 2ec2 s ASN 66 Cb -0.02 -1.91 -0.04 0.00 -0.55 0.00 0.00 41.25 38.74 2ec2 s ASN 66 CO -0.04 -0.39 0.12 0.00 -2.79 0.00 0.00 177.10 173.99 2ec2 n PRO 68 N -0.97 0.21 0.01 0.00 -0.02 -1.26 -4.41 135.00 128.55 2ec2 n PRO 68 Ca -0.08 0.11 0.12 0.00 -2.02 0.00 0.00 63.50 61.63 2ec2 n PRO 68 Cb 0.58 -1.82 0.50 0.00 -0.02 0.00 0.00 33.50 32.75 2ec2 n PRO 68 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ec2 n PRO 69 N -0.82 0.02 0.00 0.52 -0.04 -1.26 -3.34 135.00 130.08 2ec2 n PRO 69 Ca 0.09 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2ec2 n PRO 69 Cb 0.50 -1.52 0.56 0.00 -0.04 0.00 0.00 33.50 33.00 2ec2 n PRO 69 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2ec2 n ARG 70 N -1.56 0.10 -3.37 0.54 1.85 -1.26 -4.77 116.66 108.20 2ec2 n ARG 70 Ca 0.06 0.07 -0.39 0.00 -1.00 0.00 0.00 57.85 56.58 2ec2 n ARG 70 Cb 0.29 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.11 2ec2 n ARG 70 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2ec2 s TYR 71 N -2.88 3.28 0.32 2.89 2.02 -1.21 -5.08 117.35 116.68 2ec2 s TYR 71 Ca 0.15 0.49 -0.28 0.00 -0.37 0.00 0.00 57.07 57.07 2ec2 s TYR 71 Cb 0.16 -2.58 -0.09 0.00 -0.40 0.00 0.00 41.96 39.05 2ec2 s TYR 71 CO 0.44 -0.19 1.07 0.00 -1.57 0.00 0.00 175.55 175.30 2ec2 s ALA 72 N 1.94 3.30 0.46 3.71 0.00 -1.26 -4.94 121.76 124.96 2ec2 s ALA 72 Ca 0.17 0.82 0.13 0.00 0.00 0.00 0.00 51.96 53.08 2ec2 s ALA 72 Cb -0.15 -3.30 1.07 0.00 0.00 0.00 0.00 23.12 20.73 2ec2 s ALA 72 CO 0.09 -0.16 2.06 -1.35 0.00 0.00 0.00 175.76 176.41 2ec2 h PRO 73 N 3.42 0.30 0.00 0.00 0.11 -1.99 -1.43 132.00 132.41 2ec2 h PRO 73 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2ec2 h PRO 73 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2ec2 h PRO 73 CO 0.65 0.20 -0.25 0.66 -0.21 0.00 0.00 178.00 179.06 2ec2 h SER 74 N 0.31 0.00 0.13 -2.05 4.64 -1.99 -1.86 113.55 112.73 2ec2 h SER 74 Ca 0.15 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.25 2ec2 h SER 74 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2ec2 h SER 74 CO -0.03 0.25 -0.83 0.22 -0.87 0.00 0.00 176.83 175.57 2ec2 h TYR 75 N 0.00 0.77 -0.37 4.77 3.20 -1.66 -2.32 116.97 121.36 2ec2 h TYR 75 Ca -0.00 -0.36 -0.16 0.00 3.14 0.00 0.00 58.73 61.34 2ec2 h TYR 75 Cb 0.80 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2ec2 h TYR 75 CO 0.00 1.17 -0.42 -0.07 -1.64 0.00 0.00 178.16 177.20 2ec2 h LEU 76 N 0.35 0.99 -0.27 2.82 3.38 -1.05 0.91 115.31 122.44 2ec2 h LEU 76 Ca -0.06 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 2ec2 h LEU 76 Cb 1.44 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2ec2 h LEU 76 CO 0.15 1.27 0.12 0.00 0.09 0.00 0.00 178.44 180.07 2ec2 h ALA 77 N 0.77 0.35 -0.72 1.53 0.00 -1.35 0.37 119.26 120.21 2ec2 h ALA 77 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2ec2 h ALA 77 Cb 1.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2ec2 h ALA 77 CO 0.10 -0.08 0.47 -0.91 0.00 0.00 0.00 179.25 178.83 2ec2 h ASN 78 N 0.30 0.81 -0.25 0.00 2.35 -1.18 0.10 115.58 117.71 2ec2 h ASN 78 Ca 0.09 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2ec2 h ASN 78 Cb 0.14 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2ec2 h ASN 78 CO -0.01 0.58 0.05 0.22 -1.65 0.00 0.00 177.43 176.61 2ec2 h TYR 79 N 0.95 0.43 0.00 1.19 3.20 -0.47 0.92 116.97 123.20 2ec2 h TYR 79 Ca 0.27 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 2ec2 h TYR 79 Cb -0.08 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2ec2 h TYR 79 CO -0.03 0.52 -0.25 0.74 -1.64 0.00 0.00 178.16 177.50 2ec2 h PHE 80 N 0.22 0.00 0.10 -3.82 0.04 0.03 -2.76 116.94 110.75 2ec2 h PHE 80 Ca 0.08 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.48 2ec2 h PHE 80 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 2ec2 h PHE 80 CO 0.02 0.25 -2.11 1.63 -0.60 0.00 0.00 178.31 177.50 2ec2 n LYS 81 N -3.79 0.74 0.19 1.51 5.02 0.33 -3.46 118.16 118.69 2ec2 n LYS 81 Ca -0.01 0.24 -0.15 0.00 -2.02 0.00 0.00 58.31 56.36 2ec2 n LYS 81 Cb 0.35 -1.67 -0.08 0.00 -0.02 0.00 0.00 35.03 33.62 2ec2 n LYS 81 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2ec2 h GLY 82 N 1.30 -0.89 1.13 0.72 0.00 0.86 -2.18 103.07 104.02 2ec2 h GLY 82 Ca -0.46 0.47 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 2ec2 h GLY 82 CO 0.05 -0.30 -0.77 0.50 0.00 0.00 0.00 176.54 176.02 2ec2 h LYS 83 N -0.74 0.75 0.22 4.80 6.56 -1.68 -2.50 116.57 123.98 2ec2 h LYS 83 Ca -0.01 -0.64 0.00 0.00 -1.06 0.00 0.00 60.65 58.95 2ec2 h LYS 83 Cb 0.70 0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.48 2ec2 h LYS 83 CO -0.14 1.24 -0.24 0.66 -2.06 0.00 0.00 179.45 178.91 2ec2 h SER 84 N 0.46 -0.64 -0.13 0.86 4.64 -1.60 -2.19 113.55 114.95 2ec2 h SER 84 Ca -0.06 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.37 2ec2 h SER 84 Cb 1.41 0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 63.67 2ec2 h SER 84 CO 0.16 -0.35 -0.18 0.00 -0.87 0.00 0.00 176.83 175.59 2ec2 h ALA 85 N 0.19 -0.12 0.00 5.18 0.00 -1.40 -0.76 119.26 122.35 2ec2 h ALA 85 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ec2 h ALA 85 Cb 0.47 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2ec2 h ALA 85 CO -0.06 -0.64 0.00 -2.13 0.00 0.00 0.00 179.25 176.42 2ec2 n ARG 86 N -5.33 0.06 -0.12 0.00 0.63 -0.95 -1.71 116.66 109.25 2ec2 n ARG 86 Ca -0.03 0.27 -0.25 0.00 -0.92 0.00 0.00 57.85 56.92 2ec2 n ARG 86 Cb 0.24 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.57 2ec2 n ARG 86 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2ec2 n LEU 87 N -1.32 1.68 0.29 6.15 4.77 -0.35 -3.91 117.00 124.31 2ec2 n LEU 87 Ca 0.02 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 56.12 2ec2 n LEU 87 Cb 0.04 -0.70 -0.08 0.00 -2.33 0.00 0.00 43.42 40.34 2ec2 n LEU 87 CO 0.04 0.48 0.62 0.40 -1.33 0.00 0.00 177.39 177.60 2ec2 h ILE 88 N -0.86 0.25 -0.70 -0.08 5.03 -1.29 -1.08 117.51 118.78 2ec2 h ILE 88 Ca -0.60 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 64.35 2ec2 h ILE 88 Cb 1.52 0.25 -0.03 0.00 -3.03 0.00 0.00 36.82 35.53 2ec2 h ILE 88 CO -0.36 0.00 0.55 -0.07 -0.68 0.00 0.00 178.15 177.59 2ec2 h LEU 89 N -0.84 0.00 0.06 1.44 3.38 -1.55 0.74 115.31 118.54 2ec2 h LEU 89 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ec2 h LEU 89 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2ec2 h LEU 89 CO 0.01 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 179.01 2ec2 h LYS 90 N 0.00 -0.08 0.00 1.13 1.63 -1.61 -3.29 116.57 114.35 2ec2 h LYS 90 Ca 0.33 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 2ec2 h LYS 90 Cb 1.43 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 2ec2 h LYS 90 CO -0.00 0.49 0.00 1.17 -3.45 0.00 0.00 179.45 177.66 2ec2 n LYS 91 N -4.77 0.79 -3.16 1.90 4.81 0.37 -3.87 118.16 114.22 2ec2 n LYS 91 Ca -0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.22 2ec2 n LYS 91 Cb 0.29 -1.31 -0.05 0.00 0.02 0.00 0.00 35.03 33.98 2ec2 n LYS 91 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2ec2 s PHE 92 N -2.00 -0.42 0.49 5.64 0.40 0.23 -5.00 117.98 117.32 2ec2 s PHE 92 Ca 0.24 -1.12 0.21 0.00 -0.60 0.00 0.00 56.93 55.66 2ec2 s PHE 92 Cb 0.11 -0.27 1.35 0.00 0.51 0.00 0.00 43.02 44.72 2ec2 s PHE 92 CO 0.18 -1.04 2.10 1.96 0.70 0.00 0.00 175.22 179.12 2ec2 h GLN 93 N 5.94 0.00 -0.85 0.44 1.08 -1.67 -1.71 115.11 118.35 2ec2 h GLN 93 Ca 0.12 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.38 2ec2 h GLN 93 Cb 1.04 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.42 2ec2 h GLN 93 CO 0.18 0.09 0.56 0.93 -0.95 0.00 0.00 178.83 179.64 2ec2 h GLU 94 N 0.00 0.96 -0.11 1.46 3.07 -1.94 0.28 114.58 118.29 2ec2 h GLU 94 Ca -0.00 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.65 2ec2 h GLU 94 Cb 0.19 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 2ec2 h GLU 94 CO 0.01 0.63 -0.59 -0.07 -1.40 0.00 0.00 179.01 177.59 2ec2 h LEU 95 N 0.98 0.41 -1.05 1.33 3.38 -1.65 -1.80 115.31 116.91 2ec2 h LEU 95 Ca 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2ec2 h LEU 95 Cb 0.15 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2ec2 h LEU 95 CO -0.12 0.91 0.31 0.50 0.09 0.00 0.00 178.44 180.12 2ec2 h LYS 96 N 0.27 0.99 0.00 1.13 3.64 -0.95 -2.77 116.57 118.88 2ec2 h LYS 96 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2ec2 h LYS 96 Cb 1.11 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2ec2 h LYS 96 CO 0.10 0.78 0.00 1.63 -2.27 0.00 0.00 179.45 179.69 2ec2 n LYS 97 N -4.32 0.00 0.00 1.90 5.02 -0.07 -2.50 118.16 118.19 2ec2 n LYS 97 Ca 0.06 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2ec2 n LYS 97 Cb 0.15 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2ec2 n LYS 97 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2ec2 n SER 98 N -0.84 0.60 0.00 4.39 3.41 -0.69 -2.51 113.62 117.98 2ec2 n SER 98 Ca 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 2ec2 n SER 98 Cb 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2ec2 n SER 98 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2ec2 n THR 99 N 0.81 0.00 -3.55 6.66 5.66 -1.05 -4.99 114.28 117.82 2ec2 n THR 99 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 2ec2 n THR 99 Cb 0.10 0.40 0.06 0.00 -1.55 0.00 0.00 70.33 69.34 2ec2 n THR 99 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2ec2 n ASN 100 N 0.00 -2.46 0.00 1.09 5.15 -1.04 -2.25 115.26 115.75 2ec2 n ASN 100 Ca 0.00 -0.75 0.00 0.00 -0.60 0.00 0.00 54.58 53.23 2ec2 n ASN 100 Cb 0.00 -4.53 0.00 0.00 -0.53 0.00 0.00 39.78 34.72 2ec2 n ASN 100 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ec2 n GLY 101 N -1.38 0.00 3.10 8.20 0.00 -1.04 -4.88 105.19 109.19 2ec2 n GLY 101 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 2ec2 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ec2 s LYS 102 N -1.37 2.24 -0.08 1.61 1.02 -0.95 -4.96 119.74 117.24 2ec2 s LYS 102 Ca 0.00 -2.17 -0.26 0.00 0.02 0.00 0.00 55.97 53.56 2ec2 s LYS 102 Cb 0.00 -3.63 -0.25 0.00 -0.52 0.00 0.00 37.83 33.43 2ec2 s LYS 102 CO 0.00 -1.12 0.95 1.25 -0.92 0.00 0.00 175.35 175.51 2ec2 h LEU 103 N 7.53 0.16 -9.86 3.17 5.85 -1.90 -3.44 115.31 116.82 2ec2 h LEU 103 Ca -0.08 -0.84 -0.52 0.00 0.84 0.00 0.00 57.88 57.28 2ec2 h LEU 103 Cb 1.00 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 2ec2 h LEU 103 CO 0.70 0.98 -0.54 0.26 -0.34 0.00 0.00 178.44 179.51 2ec2 s TRP 104 N -2.85 3.10 1.21 1.25 0.52 -1.26 -0.96 118.94 119.96 2ec2 s TRP 104 Ca -0.17 -0.09 -0.20 0.00 0.02 0.00 0.00 56.10 55.65 2ec2 s TRP 104 Cb -0.00 -1.42 0.30 0.00 -1.15 0.00 0.00 33.47 31.20 2ec2 s TRP 104 CO 0.73 0.52 1.12 0.25 0.02 0.00 0.00 176.95 179.59 2ec2 n THR 105 N -0.98 0.00 0.06 2.01 -2.24 -1.21 -4.54 114.28 107.38 2ec2 n THR 105 Ca -0.08 -0.52 -0.18 0.00 -2.27 0.00 0.00 64.05 61.00 2ec2 n THR 105 Cb 0.57 -1.26 -0.14 0.00 -2.10 0.00 0.00 70.33 67.40 2ec2 n THR 105 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2ec2 h ARG 106 N 0.00 0.29 -7.38 -0.78 -0.00 -1.99 -3.48 114.38 101.04 2ec2 h ARG 106 Ca -0.41 -0.49 -0.50 0.00 -0.00 0.00 0.00 59.98 58.57 2ec2 h ARG 106 Cb 1.25 0.18 0.09 0.00 -0.00 0.00 0.00 29.97 31.50 2ec2 h ARG 106 CO 0.27 1.16 0.38 0.45 -0.00 0.00 0.00 179.97 182.23 2ec2 s SER 107 N -7.06 5.36 0.13 0.08 0.15 -1.26 -5.09 113.70 106.01 2ec2 s SER 107 Ca -0.11 1.45 -0.17 0.00 0.70 0.00 0.00 55.95 57.82 2ec2 s SER 107 Cb 0.06 -2.32 0.04 0.00 -1.71 0.00 0.00 66.02 62.10 2ec2 s SER 107 CO 0.85 -1.43 0.44 -0.72 1.20 0.00 0.00 173.24 173.58 2ec2 s TYR 108 N -3.14 -0.26 -0.13 3.44 -0.85 -1.26 -4.75 117.35 110.40 2ec2 s TYR 108 Ca 0.58 -0.04 0.01 0.00 -0.52 0.00 0.00 57.07 57.10 2ec2 s TYR 108 Cb -0.13 0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.52 2ec2 s TYR 108 CO 0.54 -0.73 -0.16 0.12 -1.52 0.00 0.00 175.55 173.80 2ec2 s PHE 109 N -3.80 2.74 -0.04 -3.49 2.19 0.22 -4.96 117.98 110.85 2ec2 s PHE 109 Ca 0.03 -0.87 0.05 0.00 0.33 0.00 0.00 56.93 56.46 2ec2 s PHE 109 Cb 0.01 -1.83 -0.01 0.00 -1.31 0.00 0.00 43.02 39.89 2ec2 s PHE 109 CO -0.12 -0.35 -0.19 0.54 1.83 0.00 0.00 175.22 176.93 2ec2 s VAL 110 N 0.50 1.57 -0.07 3.12 0.11 -1.26 -0.24 120.40 124.14 2ec2 s VAL 110 Ca -0.11 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.11 2ec2 s VAL 110 Cb -0.16 -1.34 0.04 0.00 -1.53 0.00 0.00 36.38 33.39 2ec2 s VAL 110 CO 0.05 0.45 0.13 -0.55 -3.33 0.00 0.00 175.10 171.85 2ec2 s SER 111 N -0.06 0.25 0.49 3.54 0.15 -0.42 -4.96 113.70 112.69 2ec2 s SER 111 Ca -0.02 0.27 -0.23 0.00 0.70 0.00 0.00 55.95 56.67 2ec2 s SER 111 Cb -0.11 0.17 -0.06 0.00 -1.71 0.00 0.00 66.02 64.30 2ec2 s SER 111 CO 0.02 -0.18 1.28 0.42 1.20 0.00 0.00 173.24 175.98 2ec2 s THR 112 N 1.58 2.53 0.37 6.45 -4.23 -1.26 -0.59 115.64 120.48 2ec2 s THR 112 Ca -0.04 0.41 0.06 0.00 -1.18 0.00 0.00 61.69 60.93 2ec2 s THR 112 Cb -0.12 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.48 2ec2 s THR 112 CO -0.05 0.01 0.21 -0.55 -0.54 0.00 0.00 174.62 173.69 2ec2 s SER 113 N -1.05 2.19 0.00 3.99 0.15 -1.20 -4.87 113.70 112.90 2ec2 s SER 113 Ca 0.66 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2ec2 s SER 113 Cb -0.36 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2ec2 s SER 113 CO 0.43 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.47 2ec2 n GLY 114 N -0.76 1.97 3.79 9.45 0.00 -1.26 -4.52 105.19 113.86 2ec2 n GLY 114 Ca 0.01 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 2ec2 n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ec2 s ASN 115 N -0.11 5.64 0.13 1.61 -0.87 -1.26 -5.14 114.94 114.95 2ec2 s ASN 115 Ca 0.00 0.04 0.11 0.00 -1.57 0.00 0.00 52.86 51.43 2ec2 s ASN 115 Cb 0.00 -1.55 -0.04 0.00 -0.02 0.00 0.00 41.25 39.64 2ec2 s ASN 115 CO 0.00 0.18 -0.26 0.54 -2.57 0.00 0.00 177.10 174.98 2ec2 s VAL 116 N -1.39 2.22 0.07 1.60 0.11 -1.26 -5.14 120.40 116.60 2ec2 s VAL 116 Ca 0.30 -1.77 0.04 0.00 -2.93 0.00 0.00 61.98 57.62 2ec2 s VAL 116 Cb -0.12 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.72 2ec2 s VAL 116 CO 0.22 0.06 -0.11 -0.94 -3.33 0.00 0.00 175.10 171.00 2ec2 s SER 117 N -2.10 1.33 0.12 3.54 1.04 -1.26 -5.05 113.70 111.31 2ec2 s SER 117 Ca 0.14 -0.63 0.16 0.00 0.48 0.00 0.00 55.95 56.10 2ec2 s SER 117 Cb -0.10 -0.01 0.71 0.00 0.10 0.00 0.00 66.02 66.72 2ec2 s SER 117 CO 0.06 -0.16 1.50 -1.54 0.98 0.00 0.00 173.24 174.08 2ec2 n SER 118 N 1.21 0.28 0.13 7.02 3.41 -1.26 -2.84 113.62 121.58 2ec2 n SER 118 Ca -0.21 0.58 -0.12 0.00 -0.26 0.00 0.00 58.87 58.87 2ec2 n SER 118 Cb 0.55 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 2ec2 n SER 118 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ec2 h GLU 119 N 0.00 -0.38 -0.61 4.33 3.07 -1.99 -2.11 114.58 116.90 2ec2 h GLU 119 Ca 0.00 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.01 2ec2 h GLU 119 Cb 0.22 0.09 -0.10 0.00 -0.84 0.00 0.00 28.75 28.12 2ec2 h GLU 119 CO 0.00 -0.04 -0.02 1.79 -1.40 0.00 0.00 179.01 179.35 2ec2 h THR 120 N -0.89 0.48 -0.77 1.13 1.35 -1.95 0.32 112.91 112.58 2ec2 h THR 120 Ca -0.04 -0.04 0.11 0.00 -0.55 0.00 0.00 66.41 65.89 2ec2 h THR 120 Cb 0.51 0.37 -0.08 0.00 -1.73 0.00 0.00 68.15 67.23 2ec2 h THR 120 CO 0.07 0.02 0.39 0.40 -0.25 0.00 0.00 175.52 176.15 2ec2 h ILE 121 N 0.10 0.82 0.18 6.82 1.08 -1.55 0.41 117.51 125.37 2ec2 h ILE 121 Ca 0.32 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.56 2ec2 h ILE 121 Cb 0.51 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 2ec2 h ILE 121 CO -0.54 0.12 -0.08 0.11 -0.69 0.00 0.00 178.15 177.06 2ec2 h LYS 122 N 0.63 -0.23 -0.38 2.37 1.57 -0.19 -2.93 116.57 117.41 2ec2 h LYS 122 Ca 0.39 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.25 2ec2 h LYS 122 Cb 0.45 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 2ec2 h LYS 122 CO -0.30 -0.14 0.04 -0.22 -0.57 0.00 0.00 179.45 178.27 2ec2 h LYS 123 N -0.26 0.15 -0.75 3.15 3.64 0.11 -0.24 116.57 122.38 2ec2 h LYS 123 Ca -0.02 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2ec2 h LYS 123 Cb 0.20 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 2ec2 h LYS 123 CO 0.04 0.10 0.39 -0.92 -2.27 0.00 0.00 179.45 176.79 2ec2 h TYR 124 N 0.16 0.69 -0.10 1.91 3.20 -0.97 -0.78 116.97 121.09 2ec2 h TYR 124 Ca 0.18 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 2ec2 h TYR 124 Cb 0.24 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 2ec2 h TYR 124 CO -0.22 0.25 0.05 0.82 -1.64 0.00 0.00 178.16 177.42 2ec2 h ILE 125 N 0.64 1.09 -0.58 1.81 2.04 -1.10 -0.15 117.51 121.26 2ec2 h ILE 125 Ca 0.37 -0.26 0.12 0.00 1.00 0.00 0.00 64.86 66.10 2ec2 h ILE 125 Cb 0.40 1.09 -0.11 0.00 -0.74 0.00 0.00 36.82 37.46 2ec2 h ILE 125 CO -0.28 0.08 -0.09 -0.33 0.00 0.00 0.00 178.15 177.53 2ec2 h GLU 126 N 0.06 0.04 -0.66 2.37 4.39 -0.15 0.16 114.58 120.78 2ec2 h GLU 126 Ca 0.03 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2ec2 h GLU 126 Cb 0.08 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2ec2 h GLU 126 CO -0.01 0.02 0.25 0.93 -1.16 0.00 0.00 179.01 179.05 2ec2 h GLU 127 N 0.04 0.98 0.00 2.33 5.08 -0.86 0.18 114.58 122.33 2ec2 h GLU 127 Ca 0.29 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2ec2 h GLU 127 Cb 0.45 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ec2 h GLU 127 CO -0.56 0.81 0.00 1.04 -1.00 0.00 0.00 179.01 179.30 2ec2 n GLN 128 N -4.29 0.24 0.10 2.33 1.13 -0.05 -1.91 117.38 114.92 2ec2 n GLN 128 Ca 0.06 0.08 0.12 0.00 -1.94 0.00 0.00 57.00 55.31 2ec2 n GLN 128 Cb 0.18 -1.50 0.11 0.00 0.11 0.00 0.00 30.24 29.15 2ec2 n GLN 128 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 2ec2 h TRP 129 N 0.00 0.00 0.00 1.08 -0.00 0.20 -3.50 115.95 113.73 2ec2 h TRP 129 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2ec2 h TRP 129 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.43 2ec2 h TRP 129 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44