#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ec2 s GLU 2 N 0.00 2.55 0.55 0.03 2.56 -1.26 -5.10 118.70 118.03 2ec2 s GLU 2 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 54.97 55.40 2ec2 s GLU 2 Cb 0.00 -1.99 0.05 0.00 2.00 0.00 0.00 34.13 34.19 2ec2 s GLU 2 CO 0.00 -1.24 0.55 0.71 -0.56 0.00 0.00 175.26 174.72 2ec2 s TYR 3 N -3.42 1.62 0.48 5.30 1.51 -1.26 -4.98 117.35 116.61 2ec2 s TYR 3 Ca 0.59 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2ec2 s TYR 3 Cb -0.11 -2.04 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 2ec2 s TYR 3 CO 0.51 -0.70 0.01 1.63 -1.11 0.00 0.00 175.55 175.89 2ec2 n LYS 4 N -1.93 0.80 -4.35 -0.62 5.02 -0.72 -4.94 118.16 111.42 2ec2 n LYS 4 Ca 0.05 -3.53 -0.20 0.00 -2.02 0.00 0.00 58.31 52.62 2ec2 n LYS 4 Cb 0.63 1.02 -0.15 0.00 -0.02 0.00 0.00 35.03 36.51 2ec2 n LYS 4 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ec2 s SER 5 N -3.65 1.11 0.00 4.39 0.01 -1.26 -2.06 113.70 112.23 2ec2 s SER 5 Ca 0.02 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2ec2 s SER 5 Cb 0.00 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2ec2 s SER 5 CO 0.01 0.06 0.00 0.35 0.41 0.00 0.00 173.24 174.08 2ec2 n THR 6 N 3.25 0.00 -0.01 1.44 -2.24 -0.31 -5.02 114.28 111.39 2ec2 n THR 6 Ca -0.18 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.56 2ec2 n THR 6 Cb 0.55 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 68.06 2ec2 n THR 6 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ec2 n ARG 7 N 0.00 0.64 0.00 -0.78 3.00 -1.26 -4.22 116.66 114.03 2ec2 n ARG 7 Ca 0.00 0.21 0.07 0.00 -0.01 0.00 0.00 57.85 58.13 2ec2 n ARG 7 Cb 0.00 -1.76 -0.00 0.00 0.00 0.00 0.00 32.46 30.70 2ec2 n ARG 7 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2ec2 n HIS 8 N -2.92 0.00 -4.04 -1.55 8.25 -1.26 -5.00 115.22 108.70 2ec2 n HIS 8 Ca -0.16 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.10 2ec2 n HIS 8 Cb 0.97 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.92 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 -1.80 0.63 -0.16 -1.41 0.00 -1.26 -5.10 121.76 112.67 2ec2 s ALA 9 Ca 0.12 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 2ec2 s ALA 9 Cb 0.12 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2ec2 s ALA 9 CO 0.38 -0.12 0.52 0.21 0.00 0.00 0.00 175.76 176.75 2ec2 s LYS 10 N 1.17 4.26 -0.05 0.00 2.47 -1.26 -1.16 119.74 125.17 2ec2 s LYS 10 Ca -0.07 0.47 -0.10 0.00 -1.56 0.00 0.00 55.97 54.71 2ec2 s LYS 10 Cb -0.14 -3.51 0.02 0.00 -1.46 0.00 0.00 37.83 32.74 2ec2 s LYS 10 CO -0.01 -0.03 0.25 1.52 0.16 0.00 0.00 175.35 177.23 2ec2 s TYR 11 N 1.23 -0.17 -0.12 4.03 -0.85 -0.88 -4.97 117.35 115.61 2ec2 s TYR 11 Ca 0.26 0.36 -0.03 0.00 -0.52 0.00 0.00 57.07 57.14 2ec2 s TYR 11 Cb -0.15 0.06 0.05 0.00 0.38 0.00 0.00 41.96 42.29 2ec2 s TYR 11 CO 0.10 -0.25 0.06 -1.17 -1.52 0.00 0.00 175.55 172.77 2ec2 s LEU 12 N -0.69 0.48 -0.49 -3.49 1.98 -1.26 -1.76 118.68 113.44 2ec2 s LEU 12 Ca -0.08 -0.36 0.03 0.00 -2.89 0.00 0.00 54.13 50.83 2ec2 s LEU 12 Cb -0.04 -0.31 0.16 0.00 0.66 0.00 0.00 46.19 46.65 2ec2 s LEU 12 CO 0.02 -0.29 0.34 0.00 -1.89 0.00 0.00 176.35 174.53 2ec2 s ASN 14 N -0.15 6.31 -0.05 0.00 0.01 -1.26 -1.98 114.94 117.82 2ec2 s ASN 14 Ca 0.25 0.36 0.02 0.00 -0.71 0.00 0.00 52.86 52.79 2ec2 s ASN 14 Cb -0.08 -2.12 0.01 0.00 0.41 0.00 0.00 41.25 39.47 2ec2 s ASN 14 CO -0.12 0.20 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.25 2ec2 s TYR 15 N 0.14 1.27 -0.24 2.20 1.51 0.64 -1.62 117.35 121.26 2ec2 s TYR 15 Ca 0.12 -0.42 -0.20 0.00 -1.01 0.00 0.00 57.07 55.56 2ec2 s TYR 15 Cb -0.12 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.77 2ec2 s TYR 15 CO 0.01 -0.22 0.59 -1.01 -1.11 0.00 0.00 175.55 173.81 2ec2 s HIS 16 N 0.55 3.31 -0.11 2.71 3.76 -0.62 -1.80 115.29 123.09 2ec2 s HIS 16 Ca -0.11 0.80 -0.00 0.00 -0.15 0.00 0.00 55.06 55.60 2ec2 s HIS 16 Cb -0.14 -2.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.74 2ec2 s HIS 16 CO 0.02 -0.26 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.50 2ec2 s PHE 17 N 2.24 2.87 -0.07 1.40 0.40 -0.46 -1.77 117.98 122.59 2ec2 s PHE 17 Ca 0.25 -0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2ec2 s PHE 17 Cb -0.16 -1.80 0.03 0.00 0.51 0.00 0.00 43.02 41.60 2ec2 s PHE 17 CO 0.09 0.02 -0.02 0.08 0.70 0.00 0.00 175.22 176.10 2ec2 s VAL 18 N -0.09 0.48 0.03 -0.44 1.01 -0.87 -0.05 120.40 120.47 2ec2 s VAL 18 Ca -0.00 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.02 2ec2 s VAL 18 Cb -0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2ec2 s VAL 18 CO 0.03 0.27 -0.06 -1.66 0.00 0.00 0.00 175.10 173.68 2ec2 s TRP 19 N 1.76 0.54 0.15 5.22 -2.14 -1.11 -1.48 118.94 121.89 2ec2 s TRP 19 Ca 0.02 -0.44 -0.02 0.00 2.66 0.00 0.00 56.10 58.32 2ec2 s TRP 19 Cb -0.13 -0.33 -0.05 0.00 -3.10 0.00 0.00 33.47 29.86 2ec2 s TRP 19 CO -0.05 -0.09 0.34 0.96 -2.66 0.00 0.00 176.95 175.45 2ec2 s ILE 20 N -1.21 5.24 0.59 0.66 -4.36 -1.26 -1.22 121.20 119.64 2ec2 s ILE 20 Ca -0.09 -0.26 -0.13 0.00 -0.26 0.00 0.00 60.65 59.90 2ec2 s ILE 20 Cb -0.09 -3.68 -0.05 0.00 1.25 0.00 0.00 42.46 39.90 2ec2 s ILE 20 CO 0.00 -0.03 1.02 -2.16 0.24 0.00 0.00 174.94 174.01 2ec2 s PRO 21 N -2.93 3.59 0.29 0.37 0.04 -1.26 -3.41 135.00 131.69 2ec2 s PRO 21 Ca 0.38 0.91 0.22 0.00 0.04 0.00 0.00 61.00 62.55 2ec2 s PRO 21 Cb -0.12 -2.08 1.08 0.00 0.04 0.00 0.00 34.50 33.42 2ec2 s PRO 21 CO 0.27 -0.58 1.67 1.17 0.04 0.00 0.00 177.00 179.58 2ec2 n LYS 22 N -2.32 0.16 -3.48 4.56 4.81 0.14 -4.48 118.16 117.55 2ec2 n LYS 22 Ca 0.07 0.56 -0.18 0.00 -0.87 0.00 0.00 58.31 57.89 2ec2 n LYS 22 Cb 0.54 -1.92 -0.13 0.00 0.02 0.00 0.00 35.03 33.54 2ec2 n LYS 22 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2ec2 s TYR 23 N -3.46 -0.31 0.00 5.64 1.51 -1.26 -4.98 117.35 114.49 2ec2 s TYR 23 Ca 0.00 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.32 2ec2 s TYR 23 Cb 0.07 -0.34 0.00 0.00 -0.11 0.00 0.00 41.96 41.59 2ec2 s TYR 23 CO 0.26 -0.61 0.61 0.54 -1.11 0.00 0.00 175.55 175.24 2ec2 n ARG 24 N 5.32 0.45 -0.03 -0.62 3.00 -1.26 -4.35 116.66 119.18 2ec2 n ARG 24 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.79 2ec2 n ARG 24 Cb 0.50 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.68 2ec2 n ARG 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ec2 n ARG 25 N 1.12 0.73 -3.98 5.56 5.12 -1.26 -4.75 116.66 119.19 2ec2 n ARG 25 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 2ec2 n ARG 25 Cb 0.23 -1.14 -0.02 0.00 -1.16 0.00 0.00 32.46 30.37 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 0.72 -2.17 0.04 5.56 5.02 -1.26 -4.86 118.16 121.21 2ec2 n LYS 26 Ca 0.00 0.32 0.03 0.00 -2.02 0.00 0.00 58.31 56.65 2ec2 n LYS 26 Cb 0.36 -4.06 -0.07 0.00 -0.02 0.00 0.00 35.03 31.24 2ec2 n LYS 26 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2ec2 n VAL 27 N -4.47 0.95 -1.16 -0.18 0.24 -1.26 -4.36 118.33 108.10 2ec2 n VAL 27 Ca -0.25 -0.65 -0.26 0.00 -2.04 0.00 0.00 64.34 61.14 2ec2 n VAL 27 Cb 0.66 -0.56 -0.10 0.00 -1.47 0.00 0.00 33.84 32.37 2ec2 n VAL 27 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2ec2 n LEU 28 N -2.77 7.05 -4.00 1.34 4.77 -1.25 -4.47 117.00 117.66 2ec2 n LEU 28 Ca -0.08 -3.79 -0.13 0.00 -0.03 0.00 0.00 56.01 51.98 2ec2 n LEU 28 Cb 0.76 -1.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.24 2ec2 n LEU 28 CO 0.42 1.89 -0.39 -0.89 -1.33 0.00 0.00 177.39 177.10 2ec2 s THR 29 N 1.58 0.38 0.00 -5.08 2.01 -1.26 -3.13 115.64 110.13 2ec2 s THR 29 Ca 0.68 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2ec2 s THR 29 Cb 0.25 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.34 2ec2 s THR 29 CO -0.03 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 2ec2 n GLY 30 N 2.05 1.72 0.12 4.40 0.00 -1.26 -3.78 105.19 108.45 2ec2 n GLY 30 Ca -0.19 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 2ec2 n GLY 30 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ec2 h GLU 31 N 0.00 -0.19 0.43 1.61 4.39 -1.97 -2.91 114.58 115.94 2ec2 h GLU 31 Ca 0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2ec2 h GLU 31 Cb 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2ec2 h GLU 31 CO 0.00 0.08 -0.21 -0.24 -1.16 0.00 0.00 179.01 177.48 2ec2 h VAL 32 N -1.00 0.57 0.00 3.13 3.04 -1.84 -1.71 116.25 118.44 2ec2 h VAL 32 Ca -0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2ec2 h VAL 32 Cb 0.36 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 2ec2 h VAL 32 CO 0.03 0.00 0.39 0.00 -1.01 0.00 0.00 177.57 176.98 2ec2 h ALA 33 N -0.01 1.31 0.00 3.17 0.00 -1.71 0.64 119.26 122.67 2ec2 h ALA 33 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2ec2 h ALA 33 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ec2 h ALA 33 CO 0.09 -0.31 -0.25 1.49 0.00 0.00 0.00 179.25 180.27 2ec2 h GLU 34 N 0.00 0.00 -0.91 0.00 4.22 -1.11 -3.29 114.58 113.49 2ec2 h GLU 34 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 2ec2 h GLU 34 Cb 0.78 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 2ec2 h GLU 34 CO 0.00 0.52 0.60 -0.92 -2.18 0.00 0.00 179.01 177.02 2ec2 h TYR 35 N -1.00 1.13 -0.24 0.92 3.20 -0.65 -1.06 116.97 119.27 2ec2 h TYR 35 Ca -0.05 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.89 2ec2 h TYR 35 Cb 0.63 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 2ec2 h TYR 35 CO 0.09 0.69 -0.04 1.15 -1.64 0.00 0.00 178.16 178.41 2ec2 h THR 36 N 1.20 0.78 0.00 1.81 2.02 0.03 0.35 112.91 119.10 2ec2 h THR 36 Ca 0.35 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.44 2ec2 h THR 36 Cb -0.08 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2ec2 h THR 36 CO -0.09 0.00 -0.36 0.07 0.37 0.00 0.00 175.52 175.51 2ec2 h LYS 37 N 0.03 0.00 -0.10 6.66 2.10 -1.56 -2.35 116.57 121.35 2ec2 h LYS 37 Ca 0.12 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.76 2ec2 h LYS 37 Cb 0.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2ec2 h LYS 37 CO -0.23 0.36 0.01 1.49 -2.00 0.00 0.00 179.45 179.08 2ec2 h GLU 38 N 0.00 0.16 -0.11 0.07 4.81 0.25 -2.46 114.58 117.31 2ec2 h GLU 38 Ca -0.00 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 2ec2 h GLU 38 Cb 0.99 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2ec2 h GLU 38 CO 0.05 0.37 -0.50 -0.39 -0.73 0.00 0.00 179.01 177.81 2ec2 h VAL 39 N -0.08 1.34 -0.42 0.32 -1.51 -0.25 -2.64 116.25 113.02 2ec2 h VAL 39 Ca 0.03 -1.73 -0.04 0.00 -1.23 0.00 0.00 66.70 63.73 2ec2 h VAL 39 Cb 0.29 1.81 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 2ec2 h VAL 39 CO 0.00 0.52 0.12 -0.07 -1.23 0.00 0.00 177.57 176.91 2ec2 h LEU 40 N 0.22 0.62 -1.19 4.19 4.07 -1.38 0.31 115.31 122.16 2ec2 h LEU 40 Ca 0.01 -0.21 0.11 0.00 0.08 0.00 0.00 57.88 57.87 2ec2 h LEU 40 Cb 0.96 -0.16 -0.07 0.00 1.08 0.00 0.00 40.66 42.47 2ec2 h LEU 40 CO 0.08 0.67 0.59 0.03 -1.08 0.00 0.00 178.44 178.72 2ec2 h ARG 41 N 0.54 0.83 -0.26 1.13 3.08 -1.32 -0.80 114.38 117.58 2ec2 h ARG 41 Ca 0.14 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 2ec2 h ARG 41 Cb 0.28 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2ec2 h ARG 41 CO -0.00 0.55 -0.46 1.15 -1.07 0.00 0.00 179.97 180.14 2ec2 h THR 42 N 0.85 1.30 0.12 2.04 2.02 -1.00 -3.07 112.91 115.18 2ec2 h THR 42 Ca 0.44 -1.65 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 2ec2 h THR 42 Cb 0.51 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2ec2 h THR 42 CO -0.20 0.53 -0.06 0.40 0.37 0.00 0.00 175.52 176.56 2ec2 h ILE 43 N 0.51 1.00 -0.94 3.11 2.04 0.27 -1.79 117.51 121.71 2ec2 h ILE 43 Ca 0.02 -0.50 0.20 0.00 1.00 0.00 0.00 64.86 65.58 2ec2 h ILE 43 Cb 1.06 1.31 -0.08 0.00 -0.74 0.00 0.00 36.82 38.37 2ec2 h ILE 43 CO 0.10 0.12 0.61 0.00 0.00 0.00 0.00 178.15 178.98 2ec2 h ALA 44 N 0.44 2.01 -0.45 1.87 0.00 -1.27 -1.64 119.26 120.22 2ec2 h ALA 44 Ca -0.02 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2ec2 h ALA 44 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ec2 h ALA 44 CO 0.03 -0.32 -0.20 0.93 0.00 0.00 0.00 179.25 179.69 2ec2 h GLU 45 N 0.55 0.93 0.00 0.00 4.39 -1.24 0.17 114.58 119.38 2ec2 h GLU 45 Ca 0.51 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2ec2 h GLU 45 Cb 1.06 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2ec2 h GLU 45 CO -0.24 1.06 0.00 1.05 -1.16 0.00 0.00 179.01 179.71 2ec2 h GLU 46 N 0.77 0.00 -0.00 2.33 4.11 -0.61 -0.14 114.58 121.03 2ec2 h GLU 46 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2ec2 h GLU 46 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2ec2 h GLU 46 CO 0.06 0.00 -0.24 1.28 0.07 0.00 0.00 179.01 180.18 2ec2 n LEU 47 N -2.62 0.58 -1.37 3.06 4.77 -0.99 -4.95 117.00 115.48 2ec2 n LEU 47 Ca 0.03 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 2ec2 n LEU 47 Cb 0.33 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2ec2 n LEU 47 CO 0.26 0.12 -0.16 0.61 -1.33 0.00 0.00 177.39 176.89 2ec2 n GLY 48 N 1.38 0.23 3.94 -0.72 0.00 -0.07 -4.84 105.19 105.12 2ec2 n GLY 48 Ca 0.11 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.35 3.21 -0.20 0.00 8.01 -0.21 -4.12 118.70 121.04 2ec2 s GLU 50 Ca 0.41 -0.78 -0.29 0.00 0.01 0.00 0.00 54.97 54.32 2ec2 s GLU 50 Cb -0.10 -2.49 -0.00 0.00 -4.31 0.00 0.00 34.13 27.23 2ec2 s GLU 50 CO 0.36 0.15 1.13 0.08 0.01 0.00 0.00 175.26 176.99 2ec2 s VAL 51 N 0.45 4.52 -0.02 2.63 1.01 -1.26 -1.04 120.40 126.70 2ec2 s VAL 51 Ca -0.13 1.84 -0.00 0.00 0.00 0.00 0.00 61.98 63.69 2ec2 s VAL 51 Cb -0.17 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 2ec2 s VAL 51 CO 0.06 -0.15 -0.01 -0.07 0.00 0.00 0.00 175.10 174.92 2ec2 h LEU 52 N 9.49 0.00 -9.03 3.92 3.38 -0.64 -3.48 115.31 118.94 2ec2 h LEU 52 Ca -0.22 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.28 2ec2 h LEU 52 Cb 1.08 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 2ec2 h LEU 52 CO 0.97 0.11 -0.69 0.00 0.09 0.00 0.00 178.44 178.92 2ec2 s ALA 53 N -2.92 2.18 -0.22 1.53 0.00 -0.72 -4.99 121.76 116.63 2ec2 s ALA 53 Ca -0.01 -1.81 -0.10 0.00 0.00 0.00 0.00 51.96 50.04 2ec2 s ALA 53 Cb 0.00 0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.35 2ec2 s ALA 53 CO 0.01 -0.05 0.51 -1.17 0.00 0.00 0.00 175.76 175.05 2ec2 s LEU 54 N -3.39 -0.58 -0.05 0.00 2.96 -1.26 -0.04 118.68 116.33 2ec2 s LEU 54 Ca 0.27 1.15 0.03 0.00 -0.22 0.00 0.00 54.13 55.36 2ec2 s LEU 54 Cb 0.03 1.70 0.01 0.00 0.50 0.00 0.00 46.19 48.43 2ec2 s LEU 54 CO 0.10 -0.22 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.18 2ec2 s GLU 55 N 2.02 1.43 -0.19 1.98 2.02 -0.74 -5.00 118.70 120.22 2ec2 s GLU 55 Ca -0.07 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.53 2ec2 s GLU 55 Cb -0.09 -1.24 0.03 0.00 0.10 0.00 0.00 34.13 32.92 2ec2 s GLU 55 CO -0.15 0.09 -0.16 0.08 0.02 0.00 0.00 175.26 175.14 2ec2 s VAL 56 N 0.40 1.97 0.07 2.63 1.01 -1.26 -0.61 120.40 124.60 2ec2 s VAL 56 Ca -0.09 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.88 2ec2 s VAL 56 Cb -0.13 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2ec2 s VAL 56 CO 0.02 0.37 -0.11 -0.04 0.00 0.00 0.00 175.10 175.35 2ec2 s MET 57 N 1.29 0.71 0.48 2.72 -1.94 0.31 -4.97 119.30 117.91 2ec2 s MET 57 Ca 0.01 -0.94 0.43 0.00 -1.71 0.00 0.00 55.69 53.49 2ec2 s MET 57 Cb -0.15 -0.53 1.53 0.00 2.01 0.00 0.00 34.83 37.69 2ec2 s MET 57 CO -0.11 0.10 1.40 -2.30 -0.01 0.00 0.00 175.02 174.10 2ec2 n PRO 58 N 1.14 -0.00 -0.02 2.03 -0.02 -1.18 0.76 135.00 137.70 2ec2 n PRO 58 Ca -0.20 0.99 0.01 0.00 -2.02 0.00 0.00 63.50 62.28 2ec2 n PRO 58 Cb 0.55 -2.24 0.02 0.00 -0.02 0.00 0.00 33.50 31.81 2ec2 n PRO 58 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2ec2 n ASP 59 N -3.83 1.69 -3.56 2.55 5.75 -1.26 -3.95 116.55 113.94 2ec2 n ASP 59 Ca 0.39 -1.57 -0.06 0.00 -0.01 0.00 0.00 54.79 53.54 2ec2 n ASP 59 Cb 1.76 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 41.80 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 -0.61 -0.23 -0.01 2.11 -3.43 0.23 -4.24 115.29 109.10 2ec2 s HIS 60 Ca 0.03 0.18 0.01 0.00 -0.80 0.00 0.00 55.06 54.48 2ec2 s HIS 60 Cb 0.02 0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 31.65 2ec2 s HIS 60 CO 0.02 -0.34 0.01 0.42 -2.00 0.00 0.00 174.74 172.86 2ec2 s ILE 61 N -2.52 4.25 -0.31 -5.38 1.09 -0.36 -0.53 121.20 117.45 2ec2 s ILE 61 Ca 0.07 -0.53 -0.01 0.00 -1.10 0.00 0.00 60.65 59.08 2ec2 s ILE 61 Cb -0.01 -2.89 0.10 0.00 -1.06 0.00 0.00 42.46 38.60 2ec2 s ILE 61 CO -0.06 0.40 0.10 -2.28 -0.10 0.00 0.00 174.94 173.00 2ec2 s HIS 62 N -1.07 1.59 -0.37 3.97 2.46 0.21 -2.73 115.29 119.35 2ec2 s HIS 62 Ca 0.19 -1.66 -0.10 0.00 0.47 0.00 0.00 55.06 53.96 2ec2 s HIS 62 Cb -0.12 -1.64 0.03 0.00 -0.13 0.00 0.00 32.58 30.72 2ec2 s HIS 62 CO 0.10 -0.87 0.20 -1.17 -2.47 0.00 0.00 174.74 170.52 2ec2 s LEU 63 N 1.66 4.70 -0.30 8.88 2.96 0.93 -1.80 118.68 135.71 2ec2 s LEU 63 Ca 0.10 -1.03 -0.11 0.00 -0.22 0.00 0.00 54.13 52.87 2ec2 s LEU 63 Cb -0.17 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2ec2 s LEU 63 CO -0.26 -0.39 0.19 0.12 -1.32 0.00 0.00 176.35 174.69 2ec2 s PHE 64 N 1.53 3.20 0.04 5.38 5.36 0.95 -1.36 117.98 133.08 2ec2 s PHE 64 Ca 0.01 -0.10 -0.01 0.00 -0.96 0.00 0.00 56.93 55.88 2ec2 s PHE 64 Cb -0.19 -2.39 -0.03 0.00 -0.34 0.00 0.00 43.02 40.07 2ec2 s PHE 64 CO 0.06 -0.27 -0.02 0.14 -1.46 0.00 0.00 175.22 173.67 2ec2 s VAL 65 N 1.72 0.17 -0.17 3.12 -7.23 -0.75 0.14 120.40 117.40 2ec2 s VAL 65 Ca 0.06 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 58.80 2ec2 s VAL 65 Cb -0.16 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 2ec2 s VAL 65 CO 0.10 -0.77 -0.01 0.21 -0.31 0.00 0.00 175.10 174.31 2ec2 s ASN 66 N -2.26 4.94 0.09 4.85 3.84 -0.21 -0.26 114.94 125.94 2ec2 s ASN 66 Ca -0.03 -0.10 0.04 0.00 0.21 0.00 0.00 52.86 52.98 2ec2 s ASN 66 Cb -0.00 -1.82 -0.03 0.00 -0.55 0.00 0.00 41.25 38.85 2ec2 s ASN 66 CO -0.06 0.15 -0.12 0.00 -2.79 0.00 0.00 177.10 174.29 2ec2 s PRO 68 N -2.39 3.18 0.00 0.00 0.02 -1.26 -4.48 135.00 130.06 2ec2 s PRO 68 Ca 0.03 1.69 0.01 0.00 0.02 0.00 0.00 61.00 62.75 2ec2 s PRO 68 Cb -0.06 -1.97 0.06 0.00 0.02 0.00 0.00 34.50 32.55 2ec2 s PRO 68 CO 0.01 -1.00 0.42 -0.35 -0.33 0.00 0.00 177.00 175.75 2ec2 n PRO 69 N -1.45 0.35 0.00 5.54 -0.04 -1.26 -3.13 135.00 135.01 2ec2 n PRO 69 Ca 0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 2ec2 n PRO 69 Cb 0.50 -1.05 0.30 0.00 -0.04 0.00 0.00 33.50 33.22 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 -0.55 0.00 -3.83 0.54 1.85 -1.26 -4.84 116.66 108.57 2ec2 n ARG 70 Ca 0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.50 2ec2 n ARG 70 Cb 0.00 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.78 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 -3.00 3.05 0.30 2.89 2.02 -1.18 -5.09 117.35 116.33 2ec2 s TYR 71 Ca 0.11 -0.54 -0.28 0.00 -0.37 0.00 0.00 57.07 55.99 2ec2 s TYR 71 Cb 0.18 -2.19 -0.09 0.00 -0.40 0.00 0.00 41.96 39.46 2ec2 s TYR 71 CO 0.68 -0.38 1.05 0.00 -1.57 0.00 0.00 175.55 175.32 2ec2 s ALA 72 N 1.49 3.31 0.27 3.71 0.00 -1.26 -4.90 121.76 124.38 2ec2 s ALA 72 Ca 0.06 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.81 2ec2 s ALA 72 Cb -0.15 -3.28 0.68 0.00 0.00 0.00 0.00 23.12 20.37 2ec2 s ALA 72 CO 0.02 -0.07 1.36 -2.30 0.00 0.00 0.00 175.76 174.77 2ec2 n PRO 73 N 0.94 -0.07 -0.24 0.00 -0.02 -1.26 0.16 135.00 134.51 2ec2 n PRO 73 Ca 0.00 1.30 -0.06 0.00 -2.02 0.00 0.00 63.50 62.72 2ec2 n PRO 73 Cb 0.47 -2.07 0.08 0.00 -0.02 0.00 0.00 33.50 31.95 2ec2 n PRO 73 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ec2 h SER 74 N 0.00 1.04 -0.51 2.55 0.87 -1.99 -0.15 113.55 115.35 2ec2 h SER 74 Ca 0.53 -0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.86 2ec2 h SER 74 Cb 1.11 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 2ec2 h SER 74 CO -0.82 0.97 0.20 0.22 -0.53 0.00 0.00 176.83 176.87 2ec2 h TYR 75 N 1.06 0.82 0.09 2.24 3.20 -0.64 -2.51 116.97 121.22 2ec2 h TYR 75 Ca 0.23 -0.05 -0.18 0.00 3.14 0.00 0.00 58.73 61.87 2ec2 h TYR 75 Cb 0.32 -0.25 0.02 0.00 1.54 0.00 0.00 36.73 38.36 2ec2 h TYR 75 CO 0.02 0.65 -0.76 -0.07 -1.64 0.00 0.00 178.16 176.37 2ec2 h LEU 76 N 0.80 0.51 -0.56 2.82 3.38 -0.86 -1.06 115.31 120.32 2ec2 h LEU 76 Ca 0.19 -0.88 0.08 0.00 0.09 0.00 0.00 57.88 57.35 2ec2 h LEU 76 Cb 0.19 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2ec2 h LEU 76 CO -0.01 1.34 0.21 0.00 0.09 0.00 0.00 178.44 180.07 2ec2 h ALA 77 N 0.17 0.70 -0.70 1.53 0.00 -0.97 0.10 119.26 120.09 2ec2 h ALA 77 Ca -0.12 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2ec2 h ALA 77 Cb 1.54 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2ec2 h ALA 77 CO 0.14 -0.19 0.31 -0.91 0.00 0.00 0.00 179.25 178.60 2ec2 h ASN 78 N 0.39 0.94 -0.07 0.00 2.35 -1.44 -1.03 115.58 116.73 2ec2 h ASN 78 Ca 0.27 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2ec2 h ASN 78 Cb 0.31 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 2ec2 h ASN 78 CO -0.27 0.83 0.04 0.22 -1.65 0.00 0.00 177.43 176.60 2ec2 h TYR 79 N 0.98 0.09 0.19 1.19 3.20 0.30 0.44 116.97 123.37 2ec2 h TYR 79 Ca 0.24 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 2ec2 h TYR 79 Cb 0.16 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2ec2 h TYR 79 CO 0.01 0.14 -0.09 0.74 -1.64 0.00 0.00 178.16 177.32 2ec2 h PHE 80 N 0.02 -0.24 0.42 -3.82 0.04 -0.96 -1.50 116.94 110.92 2ec2 h PHE 80 Ca 0.02 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2ec2 h PHE 80 Cb 0.08 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 2ec2 h PHE 80 CO -0.05 0.02 -0.44 0.87 -0.60 0.00 0.00 178.31 178.11 2ec2 h LYS 81 N -0.47 -0.85 0.07 1.51 1.57 -1.17 -2.51 116.57 114.73 2ec2 h LYS 81 Ca -0.03 0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2ec2 h LYS 81 Cb 0.36 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 2ec2 h LYS 81 CO 0.04 -0.56 -0.39 0.78 -0.57 0.00 0.00 179.45 178.75 2ec2 h GLY 82 N -0.88 -0.75 1.93 3.86 0.00 -0.17 -1.50 103.07 105.56 2ec2 h GLY 82 Ca -0.04 0.47 -0.19 0.00 0.00 0.00 0.00 47.33 47.57 2ec2 h GLY 82 CO -0.07 -0.26 -0.87 0.50 0.00 0.00 0.00 176.54 175.84 2ec2 h LYS 83 N -0.59 0.06 -0.17 4.80 1.79 -1.33 -2.32 116.57 118.82 2ec2 h LYS 83 Ca 0.04 -0.08 -0.20 0.00 -2.18 0.00 0.00 60.65 58.23 2ec2 h LYS 83 Cb 0.64 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2ec2 h LYS 83 CO -0.26 0.89 -0.70 0.66 -1.08 0.00 0.00 179.45 178.97 2ec2 h SER 84 N 0.03 0.81 -0.10 0.86 4.64 -1.48 -1.91 113.55 116.40 2ec2 h SER 84 Ca -0.02 -0.50 0.04 0.00 -0.47 0.00 0.00 61.79 60.84 2ec2 h SER 84 Cb 1.52 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 2ec2 h SER 84 CO 0.12 1.28 -0.21 0.00 -0.87 0.00 0.00 176.83 177.14 2ec2 h ALA 85 N 0.72 -0.20 -0.31 5.18 0.00 -1.23 0.36 119.26 123.78 2ec2 h ALA 85 Ca -0.03 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2ec2 h ALA 85 Cb 1.30 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2ec2 h ALA 85 CO 0.14 -0.68 0.29 0.00 0.00 0.00 0.00 179.25 179.00 2ec2 h ARG 86 N -0.29 0.00 0.01 0.00 3.08 -1.33 -1.59 114.38 114.27 2ec2 h ARG 86 Ca 0.09 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.81 2ec2 h ARG 86 Cb 0.42 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 2ec2 h ARG 86 CO -0.27 0.00 -1.84 1.28 -1.07 0.00 0.00 179.97 178.07 2ec2 n LEU 87 N -3.97 2.02 -0.11 3.04 4.77 -0.59 -3.30 117.00 118.86 2ec2 n LEU 87 Ca 0.05 0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 56.30 2ec2 n LEU 87 Cb 0.45 -0.93 0.01 0.00 -2.33 0.00 0.00 43.42 40.62 2ec2 n LEU 87 CO 0.30 0.47 0.98 0.40 -1.33 0.00 0.00 177.39 178.21 2ec2 h ILE 88 N -0.85 0.99 0.00 -0.08 2.04 -0.31 -1.23 117.51 118.06 2ec2 h ILE 88 Ca -0.49 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 2ec2 h ILE 88 Cb 1.51 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2ec2 h ILE 88 CO -0.25 0.07 -0.19 -0.07 0.00 0.00 0.00 178.15 177.70 2ec2 h LEU 89 N 0.38 0.00 -0.18 1.44 3.38 -1.47 0.51 115.31 119.36 2ec2 h LEU 89 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2ec2 h LEU 89 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2ec2 h LEU 89 CO -0.10 0.19 -0.09 0.50 0.09 0.00 0.00 178.44 179.03 2ec2 h LYS 90 N 0.00 0.39 -0.13 1.13 1.63 -1.32 -3.31 116.57 114.95 2ec2 h LYS 90 Ca -0.00 -0.17 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 2ec2 h LYS 90 Cb 0.45 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2ec2 h LYS 90 CO 0.03 0.69 -0.01 -0.22 -3.45 0.00 0.00 179.45 176.48 2ec2 h LYS 91 N 0.08 0.23 -3.90 1.90 3.64 -0.82 -3.38 116.57 114.31 2ec2 h LYS 91 Ca 0.04 -0.08 -0.78 0.00 -1.27 0.00 0.00 60.65 58.56 2ec2 h LYS 91 Cb 0.57 -0.02 -0.26 0.00 -0.41 0.00 0.00 32.23 32.12 2ec2 h LYS 91 CO 0.03 0.48 0.19 -0.06 -2.27 0.00 0.00 179.45 177.82 2ec2 s PHE 92 N -4.91 3.76 0.33 1.91 0.40 0.13 -4.90 117.98 114.71 2ec2 s PHE 92 Ca -0.14 -2.01 0.16 0.00 -0.60 0.00 0.00 56.93 54.33 2ec2 s PHE 92 Cb 0.05 -3.86 0.79 0.00 0.51 0.00 0.00 43.02 40.51 2ec2 s PHE 92 CO 0.71 -1.02 1.83 1.96 0.70 0.00 0.00 175.22 179.39 2ec2 h GLN 93 N 7.76 0.00 -0.05 0.44 1.08 -1.76 -2.01 115.11 120.58 2ec2 h GLN 93 Ca 0.12 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.11 2ec2 h GLN 93 Cb 1.03 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.47 2ec2 h GLN 93 CO 0.80 0.36 -0.78 1.05 -0.95 0.00 0.00 178.83 179.31 2ec2 h GLU 94 N 0.00 0.61 -0.64 1.46 9.09 -1.91 -3.05 114.58 120.14 2ec2 h GLU 94 Ca -0.00 -0.59 0.12 0.00 0.05 0.00 0.00 59.36 58.94 2ec2 h GLU 94 Cb 0.69 0.15 -0.09 0.00 -1.65 0.00 0.00 28.75 27.85 2ec2 h GLU 94 CO 0.05 1.21 0.15 1.25 0.05 0.00 0.00 179.01 181.72 2ec2 h LEU 95 N 0.23 0.04 -1.20 3.06 6.46 -1.85 0.19 115.31 122.24 2ec2 h LEU 95 Ca -0.08 0.12 0.14 0.00 -0.12 0.00 0.00 57.88 57.93 2ec2 h LEU 95 Cb 1.44 0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 41.45 2ec2 h LEU 95 CO 0.16 0.02 0.59 0.50 -0.62 0.00 0.00 178.44 179.08 2ec2 h LYS 96 N 0.28 0.76 0.23 1.25 3.64 -1.27 -2.27 116.57 119.19 2ec2 h LYS 96 Ca 0.34 -0.05 -0.34 0.00 -1.27 0.00 0.00 60.65 59.34 2ec2 h LYS 96 Cb 0.52 -0.17 0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2ec2 h LYS 96 CO -0.42 0.50 -1.52 0.87 -2.27 0.00 0.00 179.45 176.62 2ec2 h LYS 97 N 0.79 0.49 -0.25 1.90 1.79 -1.12 0.40 116.57 120.56 2ec2 h LYS 97 Ca 0.46 -0.83 0.05 0.00 -2.18 0.00 0.00 60.65 58.15 2ec2 h LYS 97 Cb 0.64 0.31 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 2ec2 h LYS 97 CO -0.22 1.39 0.17 0.77 -1.08 0.00 0.00 179.45 180.48 2ec2 h SER 98 N 0.13 0.09 -0.00 0.86 0.02 -0.53 -2.85 113.55 111.26 2ec2 h SER 98 Ca -0.26 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2ec2 h SER 98 Cb 2.14 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.66 2ec2 h SER 98 CO 0.25 0.06 -0.05 1.07 -1.14 0.00 0.00 176.83 177.01 2ec2 n THR 99 N -4.48 0.00 -3.75 -2.27 5.66 -0.90 -5.02 114.28 103.51 2ec2 n THR 99 Ca 0.02 -0.47 -0.26 0.00 -3.05 0.00 0.00 64.05 60.29 2ec2 n THR 99 Cb 0.25 1.08 0.02 0.00 -1.55 0.00 0.00 70.33 70.14 2ec2 n THR 99 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ec2 n ASN 100 N -0.05 -2.75 -1.86 1.09 3.02 0.71 -2.61 115.26 112.81 2ec2 n ASN 100 Ca 0.03 -0.95 -0.16 0.00 -0.03 0.00 0.00 54.58 53.46 2ec2 n ASN 100 Cb 0.12 -3.52 -0.00 0.00 -0.61 0.00 0.00 39.78 35.77 2ec2 n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ec2 n GLY 101 N -1.73 -0.27 2.56 7.41 0.00 0.11 -5.00 105.19 108.27 2ec2 n GLY 101 Ca -0.21 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.87 1.11 0.07 1.61 1.02 -1.07 -4.99 119.74 112.62 2ec2 s LYS 102 Ca 0.03 -2.03 -0.19 0.00 0.02 0.00 0.00 55.97 53.80 2ec2 s LYS 102 Cb -0.01 -1.90 -0.11 0.00 -0.52 0.00 0.00 37.83 35.29 2ec2 s LYS 102 CO 0.04 -1.27 1.43 -0.07 -0.92 0.00 0.00 175.35 174.57 2ec2 h LEU 103 N 6.27 0.44 -9.84 3.17 3.38 -1.94 -3.42 115.31 113.37 2ec2 h LEU 103 Ca 0.12 -0.40 -0.58 0.00 0.09 0.00 0.00 57.88 57.11 2ec2 h LEU 103 Cb 0.91 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 2ec2 h LEU 103 CO 0.42 0.74 -0.52 0.26 0.09 0.00 0.00 178.44 179.43 2ec2 s TRP 104 N -4.62 2.59 0.00 1.13 0.52 -1.26 -0.68 118.94 116.62 2ec2 s TRP 104 Ca -0.14 -0.59 0.00 0.00 0.02 0.00 0.00 56.10 55.40 2ec2 s TRP 104 Cb 0.07 -1.90 0.00 0.00 -1.15 0.00 0.00 33.47 30.49 2ec2 s TRP 104 CO 0.76 0.25 0.00 -2.37 0.02 0.00 0.00 176.95 175.61 2ec2 n THR 105 N -1.18 0.00 0.39 2.01 5.66 -1.22 -4.34 114.28 115.61 2ec2 n THR 105 Ca -0.02 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.03 2ec2 n THR 105 Cb 0.65 -1.84 0.02 0.00 -1.55 0.00 0.00 70.33 67.61 2ec2 n THR 105 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2ec2 n ARG 106 N -0.54 1.02 -3.05 1.09 0.00 -1.26 -4.99 116.66 108.93 2ec2 n ARG 106 Ca 0.00 -0.87 -0.27 0.00 -0.00 0.00 0.00 57.85 56.71 2ec2 n ARG 106 Cb 0.00 -1.13 -0.02 0.00 -0.00 0.00 0.00 32.46 31.31 2ec2 n ARG 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ec2 s SER 107 N -0.96 6.37 0.10 2.89 0.15 -1.26 -5.11 113.70 115.88 2ec2 s SER 107 Ca 0.10 0.79 -0.17 0.00 0.70 0.00 0.00 55.95 57.36 2ec2 s SER 107 Cb 0.08 -2.18 0.04 0.00 -1.71 0.00 0.00 66.02 62.24 2ec2 s SER 107 CO 0.16 -0.37 0.43 -0.72 1.20 0.00 0.00 173.24 173.94 2ec2 s TYR 108 N -2.38 -0.26 0.08 3.44 -0.85 -1.26 -4.75 117.35 111.37 2ec2 s TYR 108 Ca 0.45 0.03 0.08 0.00 -0.52 0.00 0.00 57.07 57.12 2ec2 s TYR 108 Cb -0.10 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 2ec2 s TYR 108 CO 0.36 -0.68 -0.17 0.12 -1.52 0.00 0.00 175.55 173.66 2ec2 s PHE 109 N -3.42 2.58 -0.23 -3.49 2.19 -0.55 -5.00 117.98 110.06 2ec2 s PHE 109 Ca 0.00 -0.24 -0.08 0.00 0.33 0.00 0.00 56.93 56.95 2ec2 s PHE 109 Cb 0.01 -1.41 0.10 0.00 -1.31 0.00 0.00 43.02 40.41 2ec2 s PHE 109 CO -0.09 0.34 0.49 0.54 1.83 0.00 0.00 175.22 178.33 2ec2 s VAL 110 N -1.07 -0.74 -0.01 3.12 0.11 -1.25 -2.04 120.40 118.51 2ec2 s VAL 110 Ca 0.17 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.35 2ec2 s VAL 110 Cb -0.11 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 2ec2 s VAL 110 CO 0.09 0.05 -0.06 -0.55 -3.33 0.00 0.00 175.10 171.30 2ec2 s SER 111 N 2.67 0.77 0.40 3.54 0.15 -0.73 -4.98 113.70 115.52 2ec2 s SER 111 Ca -0.03 -0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.40 2ec2 s SER 111 Cb -0.12 -0.18 -0.07 0.00 -1.71 0.00 0.00 66.02 63.95 2ec2 s SER 111 CO -0.15 0.04 0.76 0.42 1.20 0.00 0.00 173.24 175.52 2ec2 s THR 112 N 0.15 4.78 0.02 6.45 -4.23 -1.26 -1.59 115.64 119.95 2ec2 s THR 112 Ca -0.02 0.64 0.03 0.00 -1.18 0.00 0.00 61.69 61.16 2ec2 s THR 112 Cb -0.06 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 2ec2 s THR 112 CO -0.00 -0.49 -0.09 -0.55 -0.54 0.00 0.00 174.62 172.95 2ec2 s SER 113 N -3.09 1.02 0.00 3.99 0.15 -0.64 -4.94 113.70 110.19 2ec2 s SER 113 Ca 0.51 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2ec2 s SER 113 Cb -0.10 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2ec2 s SER 113 CO 0.30 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.35 2ec2 n GLY 114 N 2.29 1.01 3.18 9.45 0.00 -1.26 -4.05 105.19 115.81 2ec2 n GLY 114 Ca -0.17 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.35 -0.08 -0.23 1.61 -0.87 -1.26 -5.15 114.94 107.62 2ec2 s ASN 115 Ca 0.00 -0.08 -0.01 0.00 -1.57 0.00 0.00 52.86 51.20 2ec2 s ASN 115 Cb 0.00 0.26 0.07 0.00 -0.02 0.00 0.00 41.25 41.56 2ec2 s ASN 115 CO 0.00 -0.42 0.01 -0.69 -2.57 0.00 0.00 177.10 173.42 2ec2 s VAL 116 N -1.46 1.04 0.24 1.60 1.01 -1.26 -5.06 120.40 116.51 2ec2 s VAL 116 Ca -0.13 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 2ec2 s VAL 116 Cb -0.06 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.75 2ec2 s VAL 116 CO 0.02 -0.24 0.88 -0.94 0.00 0.00 0.00 175.10 174.82 2ec2 s SER 117 N 1.61 7.44 0.61 3.32 1.04 -1.26 -4.96 113.70 121.49 2ec2 s SER 117 Ca -0.01 1.79 0.30 0.00 0.48 0.00 0.00 55.95 58.51 2ec2 s SER 117 Cb -0.18 -2.55 1.69 0.00 0.10 0.00 0.00 66.02 65.08 2ec2 s SER 117 CO -0.10 0.09 2.07 0.77 0.98 0.00 0.00 173.24 177.05 2ec2 h SER 118 N 3.83 0.00 0.86 7.02 4.64 -1.99 0.06 113.55 127.97 2ec2 h SER 118 Ca -0.46 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.69 2ec2 h SER 118 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 2ec2 h SER 118 CO 0.66 0.00 -0.79 1.05 -0.87 0.00 0.00 176.83 176.89 2ec2 h GLU 119 N 0.00 0.00 -0.46 4.77 4.11 -1.98 -0.04 114.58 120.98 2ec2 h GLU 119 Ca 0.09 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.43 2ec2 h GLU 119 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2ec2 h GLU 119 CO -0.00 0.79 -0.08 0.00 0.07 0.00 0.00 179.01 179.78 2ec2 h THR 120 N 0.00 1.26 -0.00 -1.06 1.03 -1.39 -1.44 112.91 111.31 2ec2 h THR 120 Ca -0.01 -1.14 -0.03 0.00 -0.01 0.00 0.00 66.41 65.22 2ec2 h THR 120 Cb 1.43 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 69.50 2ec2 h THR 120 CO 0.10 0.39 -0.12 0.40 -0.01 0.00 0.00 175.52 176.29 2ec2 h ILE 121 N 0.74 1.58 -0.83 0.00 2.04 -1.35 -2.17 117.51 117.51 2ec2 h ILE 121 Ca 0.13 -1.87 0.13 0.00 1.00 0.00 0.00 64.86 64.25 2ec2 h ILE 121 Cb 0.57 2.80 -0.09 0.00 -0.74 0.00 0.00 36.82 39.36 2ec2 h ILE 121 CO 0.03 0.50 0.45 0.50 0.00 0.00 0.00 178.15 179.63 2ec2 h LYS 122 N -0.63 0.66 -0.48 2.37 1.63 -0.98 0.69 116.57 119.82 2ec2 h LYS 122 Ca -0.01 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2ec2 h LYS 122 Cb 0.88 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.33 2ec2 h LYS 122 CO 0.02 0.44 0.30 -0.22 -3.45 0.00 0.00 179.45 176.55 2ec2 h LYS 123 N 0.68 0.60 -0.84 1.90 3.64 -1.26 -2.45 116.57 118.84 2ec2 h LYS 123 Ca 0.43 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 2ec2 h LYS 123 Cb 0.54 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2ec2 h LYS 123 CO -0.32 0.40 0.43 -0.92 -2.27 0.00 0.00 179.45 176.77 2ec2 h TYR 124 N 0.62 1.18 0.86 1.91 3.20 0.62 0.69 116.97 126.04 2ec2 h TYR 124 Ca 0.18 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 2ec2 h TYR 124 Cb -0.04 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 37.86 2ec2 h TYR 124 CO -0.05 0.84 -0.49 0.82 -1.64 0.00 0.00 178.16 177.63 2ec2 h ILE 125 N 1.18 0.00 -0.02 1.81 2.04 0.54 -2.09 117.51 120.97 2ec2 h ILE 125 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2ec2 h ILE 125 Cb 0.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2ec2 h ILE 125 CO -0.04 0.00 -0.03 -0.62 0.00 0.00 0.00 178.15 177.46 2ec2 n GLU 126 N -5.63 1.65 0.25 2.37 -0.58 -0.98 -1.48 120.64 116.25 2ec2 n GLU 126 Ca -0.15 -1.02 0.10 0.00 -0.42 0.00 0.00 57.16 55.67 2ec2 n GLU 126 Cb 0.52 -1.48 0.65 0.00 -0.57 0.00 0.00 31.44 30.56 2ec2 n GLU 126 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2ec2 h GLU 127 N 2.48 0.00 -6.13 3.49 4.81 0.65 -3.40 114.58 116.48 2ec2 h GLU 127 Ca 0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 2ec2 h GLU 127 Cb 0.55 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.83 2ec2 h GLU 127 CO 0.00 0.15 0.64 -0.65 -0.73 0.00 0.00 179.01 178.42 2ec2 s GLN 128 N -4.31 3.47 0.00 1.92 -1.52 -0.55 -5.04 119.66 113.63 2ec2 s GLN 128 Ca -0.03 0.04 0.00 0.00 -1.95 0.00 0.00 55.36 53.42 2ec2 s GLN 128 Cb 0.14 -3.98 0.00 0.00 -0.22 0.00 0.00 33.01 28.95 2ec2 s GLN 128 CO 0.62 -1.38 0.00 0.91 -0.25 0.00 0.00 175.29 175.19