#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 3.56 -0.26 0.03 2.02 -1.26 -5.04 118.70 117.75 2ec2 s GLU 2 Ca 0.00 0.02 -0.12 0.00 0.02 0.00 0.00 54.97 54.89 2ec2 s GLU 2 Cb 0.00 -3.87 -0.05 0.00 0.10 0.00 0.00 34.13 30.31 2ec2 s GLU 2 CO 0.00 -0.92 0.22 0.71 0.02 0.00 0.00 175.26 175.29 2ec2 s TYR 3 N 3.02 3.28 0.48 1.61 1.51 -1.26 -4.83 117.35 121.15 2ec2 s TYR 3 Ca 0.28 0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.62 2ec2 s TYR 3 Cb -0.13 -2.38 0.02 0.00 -0.11 0.00 0.00 41.96 39.36 2ec2 s TYR 3 CO 0.18 -0.07 0.67 0.15 -1.11 0.00 0.00 175.55 175.38 2ec2 s LYS 4 N 1.48 2.77 -0.17 -0.62 1.02 -0.24 -4.88 119.74 119.11 2ec2 s LYS 4 Ca 0.09 -0.86 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 2ec2 s LYS 4 Cb -0.15 -2.60 0.08 0.00 -0.52 0.00 0.00 37.83 34.64 2ec2 s LYS 4 CO 0.08 -0.44 0.30 -1.12 -0.92 0.00 0.00 175.35 173.25 2ec2 s SER 5 N -4.34 0.42 0.45 2.83 0.01 -1.26 -1.04 113.70 110.76 2ec2 s SER 5 Ca 0.54 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2ec2 s SER 5 Cb -0.10 0.80 0.04 0.00 0.21 0.00 0.00 66.02 66.97 2ec2 s SER 5 CO 0.36 -0.26 0.29 0.35 0.41 0.00 0.00 173.24 174.39 2ec2 n THR 6 N 5.35 0.00 -0.14 1.44 -2.24 -0.62 -5.01 114.28 113.08 2ec2 n THR 6 Ca -0.06 -0.49 -0.05 0.00 -2.27 0.00 0.00 64.05 61.19 2ec2 n THR 6 Cb 0.50 -1.18 0.04 0.00 -2.10 0.00 0.00 70.33 67.58 2ec2 n THR 6 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2ec2 h ARG 7 N 0.00 0.31 -0.05 -0.78 2.43 -2.06 -3.28 114.38 110.95 2ec2 h ARG 7 Ca -0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2ec2 h ARG 7 Cb 0.37 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2ec2 h ARG 7 CO 0.11 0.20 0.00 0.72 -1.51 0.00 0.00 179.97 179.49 2ec2 n HIS 8 N -5.01 0.13 -3.68 2.20 8.25 -1.26 -5.01 115.22 110.84 2ec2 n HIS 8 Ca 0.03 -0.82 -0.12 0.00 -0.26 0.00 0.00 57.72 56.55 2ec2 n HIS 8 Cb 0.16 -0.13 -0.09 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.23 -1.39 -0.18 -1.41 0.00 -1.24 -5.14 121.76 110.17 2ec2 s ALA 9 Ca 0.24 1.66 -0.05 0.00 0.00 0.00 0.00 51.96 53.80 2ec2 s ALA 9 Cb 0.20 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2ec2 s ALA 9 CO 0.04 -0.28 0.01 0.21 0.00 0.00 0.00 175.76 175.74 2ec2 s LYS 10 N 0.58 3.73 0.03 0.00 2.20 -1.26 -1.59 119.74 123.43 2ec2 s LYS 10 Ca -0.02 -0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 55.09 2ec2 s LYS 10 Cb -0.05 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2ec2 s LYS 10 CO -0.03 0.16 0.03 1.52 -0.36 0.00 0.00 175.35 176.67 2ec2 s TYR 11 N 0.63 0.25 -0.11 4.03 1.13 -0.21 -4.98 117.35 118.09 2ec2 s TYR 11 Ca -0.00 -0.55 -0.04 0.00 -1.41 0.00 0.00 57.07 55.06 2ec2 s TYR 11 Cb -0.14 -0.19 0.05 0.00 -1.10 0.00 0.00 41.96 40.59 2ec2 s TYR 11 CO 0.02 -0.29 0.23 -1.17 -2.51 0.00 0.00 175.55 171.83 2ec2 s LEU 12 N -1.88 0.06 -0.42 -3.49 0.20 -1.26 -1.08 118.68 110.80 2ec2 s LEU 12 Ca -0.09 0.49 0.03 0.00 0.69 0.00 0.00 54.13 55.26 2ec2 s LEU 12 Cb -0.04 0.60 0.16 0.00 -0.43 0.00 0.00 46.19 46.48 2ec2 s LEU 12 CO -0.03 -0.21 0.33 0.00 -0.29 0.00 0.00 176.35 176.14 2ec2 s ASN 14 N 0.13 6.44 0.05 0.00 -0.87 -1.25 -1.02 114.94 118.42 2ec2 s ASN 14 Ca 0.29 0.52 0.09 0.00 -1.57 0.00 0.00 52.86 52.19 2ec2 s ASN 14 Cb -0.03 -2.24 -0.03 0.00 -0.02 0.00 0.00 41.25 38.93 2ec2 s ASN 14 CO -0.15 -0.12 -0.24 -0.31 -2.57 0.00 0.00 177.10 173.71 2ec2 s TYR 15 N 1.53 2.08 -0.30 2.20 1.51 0.25 -0.41 117.35 124.22 2ec2 s TYR 15 Ca 0.20 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 2ec2 s TYR 15 Cb -0.15 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 2ec2 s TYR 15 CO 0.09 0.13 0.13 -1.01 -1.11 0.00 0.00 175.55 173.78 2ec2 s HIS 16 N -0.84 3.16 -0.09 2.71 3.76 0.11 -1.31 115.29 122.79 2ec2 s HIS 16 Ca 0.10 -0.56 -0.09 0.00 -0.15 0.00 0.00 55.06 54.36 2ec2 s HIS 16 Cb -0.09 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 2ec2 s HIS 16 CO 0.02 -0.44 0.22 -0.06 -0.85 0.00 0.00 174.74 173.64 2ec2 s PHE 17 N 1.61 3.64 -0.03 1.40 0.40 0.54 -0.75 117.98 124.79 2ec2 s PHE 17 Ca 0.05 0.66 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 2ec2 s PHE 17 Cb -0.17 -2.05 0.03 0.00 0.51 0.00 0.00 43.02 41.35 2ec2 s PHE 17 CO 0.05 0.71 0.02 0.08 0.70 0.00 0.00 175.22 176.78 2ec2 s VAL 18 N -1.02 0.06 0.24 -0.44 1.01 0.22 -1.88 120.40 118.58 2ec2 s VAL 18 Ca 0.18 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 2ec2 s VAL 18 Cb -0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2ec2 s VAL 18 CO 0.07 0.12 0.36 -1.66 0.00 0.00 0.00 175.10 173.99 2ec2 s TRP 19 N 1.12 0.68 0.18 5.22 -2.14 -1.16 -0.27 118.94 122.57 2ec2 s TRP 19 Ca -0.08 -0.98 0.06 0.00 2.66 0.00 0.00 56.10 57.76 2ec2 s TRP 19 Cb -0.13 -0.08 -0.05 0.00 -3.10 0.00 0.00 33.47 30.11 2ec2 s TRP 19 CO -0.02 -0.89 -0.12 0.96 -2.66 0.00 0.00 176.95 174.22 2ec2 s ILE 20 N -4.00 1.46 0.58 0.66 -4.36 -1.26 -1.21 121.20 113.06 2ec2 s ILE 20 Ca 0.28 -2.14 -0.09 0.00 -0.26 0.00 0.00 60.65 58.45 2ec2 s ILE 20 Cb 0.02 -1.96 -0.03 0.00 1.25 0.00 0.00 42.46 41.73 2ec2 s ILE 20 CO 0.11 -0.66 0.94 -2.16 0.24 0.00 0.00 174.94 173.41 2ec2 s PRO 21 N -3.70 3.50 0.02 0.37 0.04 -1.26 -2.72 135.00 131.24 2ec2 s PRO 21 Ca 0.20 0.50 -0.26 0.00 0.04 0.00 0.00 61.00 61.49 2ec2 s PRO 21 Cb 0.01 -2.19 -0.16 0.00 0.04 0.00 0.00 34.50 32.20 2ec2 s PRO 21 CO 0.04 -0.48 1.27 0.87 0.04 0.00 0.00 177.00 178.73 2ec2 h LYS 22 N -0.15 -0.47 -7.11 4.56 1.79 -1.81 -3.43 116.57 109.95 2ec2 h LYS 22 Ca -0.45 0.03 -0.47 0.00 -2.18 0.00 0.00 60.65 57.58 2ec2 h LYS 22 Cb 1.20 0.11 0.08 0.00 -1.58 0.00 0.00 32.23 32.04 2ec2 h LYS 22 CO 0.62 -0.17 0.11 0.71 -1.08 0.00 0.00 179.45 179.64 2ec2 s TYR 23 N -4.81 1.44 0.19 -1.35 1.51 -1.26 -5.04 117.35 108.02 2ec2 s TYR 23 Ca -0.14 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.58 2ec2 s TYR 23 Cb 0.02 -2.97 0.00 0.00 -0.11 0.00 0.00 41.96 38.90 2ec2 s TYR 23 CO 0.54 -1.77 0.00 -2.13 -1.11 0.00 0.00 175.55 171.08 2ec2 n ARG 24 N -2.85 0.00 -0.45 -0.62 0.63 -1.26 -4.86 116.66 107.24 2ec2 n ARG 24 Ca 0.16 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 57.04 2ec2 n ARG 24 Cb 0.61 -0.16 -0.05 0.00 0.45 0.00 0.00 32.46 33.31 2ec2 n ARG 24 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2ec2 n ARG 25 N -3.33 0.00 -3.66 -0.14 3.00 -1.26 -1.58 116.66 109.69 2ec2 n ARG 25 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.85 57.77 2ec2 n ARG 25 Cb 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 32.46 32.14 2ec2 n ARG 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2ec2 n LYS 26 N 1.78 -0.95 0.05 5.56 5.02 -1.26 -4.83 118.16 123.54 2ec2 n LYS 26 Ca 0.14 -0.39 -0.22 0.00 -2.02 0.00 0.00 58.31 55.82 2ec2 n LYS 26 Cb 0.10 0.34 -0.14 0.00 -0.02 0.00 0.00 35.03 35.31 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 2.08 1.13 -3.59 -0.18 2.07 -1.62 -3.40 116.25 112.74 2ec2 h VAL 27 Ca -0.10 -2.48 -0.78 0.00 0.82 0.00 0.00 66.70 64.15 2ec2 h VAL 27 Cb 0.20 2.86 -0.25 0.00 -1.52 0.00 0.00 31.29 32.58 2ec2 h VAL 27 CO 0.08 0.75 0.04 -0.76 0.02 0.00 0.00 177.57 177.70 2ec2 s LEU 28 N -7.56 6.55 0.09 2.57 1.43 -1.26 -4.86 118.68 115.64 2ec2 s LEU 28 Ca -0.17 -2.43 -0.25 0.00 -1.03 0.00 0.00 54.13 50.26 2ec2 s LEU 28 Cb 0.04 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 44.11 2ec2 s LEU 28 CO 0.82 -0.67 0.60 0.28 0.23 0.00 0.00 176.35 177.61 2ec2 s THR 29 N 0.64 0.01 0.00 5.49 -1.32 -1.26 -3.24 115.64 115.95 2ec2 s THR 29 Ca 0.15 -0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 2ec2 s THR 29 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 2ec2 s THR 29 CO -0.06 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 2ec2 n GLY 30 N 0.04 0.40 0.08 6.08 0.00 -1.26 -0.10 105.19 110.43 2ec2 n GLY 30 Ca -0.18 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2ec2 n GLY 30 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ec2 h GLU 31 N 0.00 0.13 0.15 1.61 4.11 -1.98 -2.81 114.58 115.78 2ec2 h GLU 31 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2ec2 h GLU 31 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2ec2 h GLU 31 CO 0.00 0.25 -0.07 0.28 0.07 0.00 0.00 179.01 179.54 2ec2 h VAL 32 N -0.02 0.00 -1.44 -1.06 2.07 -0.85 -3.29 116.25 111.66 2ec2 h VAL 32 Ca 0.03 -0.18 0.44 0.00 0.82 0.00 0.00 66.70 67.81 2ec2 h VAL 32 Cb 0.17 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.85 2ec2 h VAL 32 CO -0.00 0.00 1.00 0.00 0.02 0.00 0.00 177.57 178.59 2ec2 n ALA 33 N -2.24 1.40 0.04 1.67 0.00 -1.09 0.21 120.51 120.49 2ec2 n ALA 33 Ca -0.02 0.62 -0.08 0.00 0.00 0.00 0.00 53.44 53.95 2ec2 n ALA 33 Cb 0.08 -0.92 0.07 0.00 0.00 0.00 0.00 19.45 18.68 2ec2 n ALA 33 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ec2 h GLU 34 N 0.00 0.42 0.22 0.00 4.22 -1.56 -2.09 114.58 115.79 2ec2 h GLU 34 Ca 0.76 -0.29 -0.34 0.00 0.08 0.00 0.00 59.36 59.58 2ec2 h GLU 34 Cb 2.82 0.04 0.02 0.00 0.50 0.00 0.00 28.75 32.14 2ec2 h GLU 34 CO -0.16 0.90 -1.58 -0.92 -2.18 0.00 0.00 179.01 175.06 2ec2 h TYR 35 N 0.32 0.83 0.17 0.92 3.20 0.23 -3.00 116.97 119.64 2ec2 h TYR 35 Ca -0.00 -0.61 0.01 0.00 3.14 0.00 0.00 58.73 61.27 2ec2 h TYR 35 Cb 1.13 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 2ec2 h TYR 35 CO 0.04 1.61 -0.42 1.15 -1.64 0.00 0.00 178.16 178.90 2ec2 h THR 36 N 0.09 0.15 0.00 1.81 2.02 -1.27 0.59 112.91 116.30 2ec2 h THR 36 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2ec2 h THR 36 Cb 2.11 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2ec2 h THR 36 CO 0.22 0.00 0.17 0.11 0.37 0.00 0.00 175.52 176.39 2ec2 h LYS 37 N -0.69 0.00 0.00 6.66 1.57 -1.45 -2.78 116.57 119.88 2ec2 h LYS 37 Ca 0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.49 2ec2 h LYS 37 Cb 0.70 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 2ec2 h LYS 37 CO -0.22 0.00 -2.15 -0.85 -0.57 0.00 0.00 179.45 175.67 2ec2 n GLU 38 N -2.32 1.08 -0.05 3.15 -0.00 0.51 -3.98 120.64 119.03 2ec2 n GLU 38 Ca -0.01 0.03 -0.14 0.00 -0.00 0.00 0.00 57.16 57.03 2ec2 n GLU 38 Cb 0.20 -1.42 -0.03 0.00 -0.00 0.00 0.00 31.44 30.20 2ec2 n GLU 38 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 2ec2 h VAL 39 N 0.00 1.28 -0.47 3.84 -1.51 0.23 -2.05 116.25 117.58 2ec2 h VAL 39 Ca -0.45 -1.79 -0.01 0.00 -1.23 0.00 0.00 66.70 63.22 2ec2 h VAL 39 Cb 1.93 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 32.78 2ec2 h VAL 39 CO -0.00 0.58 0.26 -0.07 -1.23 0.00 0.00 177.57 177.10 2ec2 h LEU 40 N 0.60 0.58 -0.42 4.19 3.38 -1.72 0.35 115.31 122.28 2ec2 h LEU 40 Ca 0.00 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2ec2 h LEU 40 Cb 1.19 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 2ec2 h LEU 40 CO 0.12 0.50 -0.03 0.03 0.09 0.00 0.00 178.44 179.16 2ec2 h ARG 41 N 0.61 0.08 0.02 1.13 3.08 -1.68 0.38 114.38 118.00 2ec2 h ARG 41 Ca 0.16 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.24 2ec2 h ARG 41 Cb 0.05 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 2ec2 h ARG 41 CO -0.03 0.05 -0.22 1.15 -1.07 0.00 0.00 179.97 179.85 2ec2 h THR 42 N 0.08 0.48 -0.58 2.04 2.02 -0.58 -1.74 112.91 114.62 2ec2 h THR 42 Ca 0.21 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 2ec2 h THR 42 Cb 0.30 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2ec2 h THR 42 CO -0.37 0.00 0.22 0.40 0.37 0.00 0.00 175.52 176.15 2ec2 h ILE 43 N -0.37 1.21 -0.25 3.11 2.04 0.15 1.00 117.51 124.41 2ec2 h ILE 43 Ca 0.05 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2ec2 h ILE 43 Cb 0.43 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2ec2 h ILE 43 CO -0.19 0.27 0.16 0.00 0.00 0.00 0.00 178.15 178.39 2ec2 h ALA 44 N 1.41 0.31 0.00 1.87 0.00 0.03 -2.46 119.26 120.42 2ec2 h ALA 44 Ca 0.20 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2ec2 h ALA 44 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2ec2 h ALA 44 CO -0.02 -0.23 -0.37 1.49 0.00 0.00 0.00 179.25 180.13 2ec2 h GLU 45 N 0.32 0.00 0.00 0.00 4.57 -0.38 -1.25 114.58 117.85 2ec2 h GLU 45 Ca 0.09 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2ec2 h GLU 45 Cb -0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2ec2 h GLU 45 CO -0.03 0.37 -0.06 0.93 -1.18 0.00 0.00 179.01 179.04 2ec2 h GLU 46 N 0.00 0.00 -0.00 1.92 5.08 -0.41 -3.07 114.58 118.10 2ec2 h GLU 46 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ec2 h GLU 46 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2ec2 h GLU 46 CO 0.05 0.06 -0.78 1.28 -1.00 0.00 0.00 179.01 178.62 2ec2 n LEU 47 N -3.91 1.13 0.00 1.33 4.77 -0.83 -4.95 117.00 114.53 2ec2 n LEU 47 Ca -0.03 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2ec2 n LEU 47 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2ec2 n LEU 47 CO 0.30 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2ec2 n GLY 48 N 1.42 0.98 3.84 -0.72 0.00 -1.03 -4.86 105.19 104.81 2ec2 n GLY 48 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.41 1.17 0.20 0.00 2.12 -0.74 -3.79 118.70 113.24 2ec2 s GLU 50 Ca 0.58 -0.18 -0.31 0.00 0.36 0.00 0.00 54.97 55.43 2ec2 s GLU 50 Cb -0.11 -1.46 -0.10 0.00 0.26 0.00 0.00 34.13 32.72 2ec2 s GLU 50 CO 0.39 -0.32 1.46 0.08 -0.54 0.00 0.00 175.26 176.33 2ec2 s VAL 51 N 1.79 2.80 -0.06 3.70 1.01 -1.26 -2.26 120.40 126.12 2ec2 s VAL 51 Ca 0.04 0.62 0.14 0.00 0.00 0.00 0.00 61.98 62.78 2ec2 s VAL 51 Cb -0.13 -3.40 -0.21 0.00 0.00 0.00 0.00 36.38 32.64 2ec2 s VAL 51 CO -0.07 0.07 0.22 0.18 0.00 0.00 0.00 175.10 175.51 2ec2 n LEU 52 N 3.11 0.00 -3.61 3.92 4.77 0.94 -4.92 117.00 121.21 2ec2 n LEU 52 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 2ec2 n LEU 52 Cb 0.40 0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2ec2 n LEU 52 CO 0.60 0.12 0.71 0.00 -1.33 0.00 0.00 177.39 177.49 2ec2 s ALA 53 N -2.78 -1.93 -0.14 -1.18 0.00 -1.02 -4.99 121.76 109.71 2ec2 s ALA 53 Ca -0.06 1.74 -0.06 0.00 0.00 0.00 0.00 51.96 53.59 2ec2 s ALA 53 Cb 0.08 -1.05 0.07 0.00 0.00 0.00 0.00 23.12 22.21 2ec2 s ALA 53 CO 0.60 -0.28 0.30 -1.17 0.00 0.00 0.00 175.76 175.21 2ec2 s LEU 54 N -0.35 -0.29 -0.02 0.00 2.96 -1.26 0.34 118.68 120.06 2ec2 s LEU 54 Ca 0.00 0.70 0.05 0.00 -0.22 0.00 0.00 54.13 54.66 2ec2 s LEU 54 Cb -0.03 0.89 -0.01 0.00 0.50 0.00 0.00 46.19 47.54 2ec2 s LEU 54 CO -0.02 -0.23 -0.18 -1.83 -1.32 0.00 0.00 176.35 172.78 2ec2 s GLU 55 N 2.28 1.52 -0.42 1.98 -1.05 -1.02 -4.99 118.70 116.99 2ec2 s GLU 55 Ca -0.01 -0.64 0.02 0.00 -0.15 0.00 0.00 54.97 54.19 2ec2 s GLU 55 Cb -0.12 -1.44 0.12 0.00 -0.44 0.00 0.00 34.13 32.26 2ec2 s GLU 55 CO -0.10 0.37 0.20 0.08 0.95 0.00 0.00 175.26 176.76 2ec2 s VAL 56 N -0.36 1.69 -0.13 1.83 1.01 -1.26 -0.50 120.40 122.68 2ec2 s VAL 56 Ca 0.06 -2.51 -0.08 0.00 0.00 0.00 0.00 61.98 59.45 2ec2 s VAL 56 Cb -0.08 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2ec2 s VAL 56 CO -0.00 -0.80 0.15 -0.04 0.00 0.00 0.00 175.10 174.41 2ec2 s MET 57 N 0.49 3.60 0.15 2.72 -1.94 -0.57 -4.96 119.30 118.79 2ec2 s MET 57 Ca 0.15 -0.11 0.09 0.00 -1.71 0.00 0.00 55.69 54.11 2ec2 s MET 57 Cb -0.23 -3.23 0.56 0.00 2.01 0.00 0.00 34.83 33.94 2ec2 s MET 57 CO -0.05 0.69 0.65 -2.30 -0.01 0.00 0.00 175.02 174.00 2ec2 n PRO 58 N 2.25 -0.02 0.12 2.03 -0.02 -1.20 0.60 135.00 138.75 2ec2 n PRO 58 Ca -0.19 0.56 0.02 0.00 -2.02 0.00 0.00 63.50 61.87 2ec2 n PRO 58 Cb 0.54 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 2ec2 n PRO 58 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2ec2 h ASP 59 N 0.00 0.00 -4.87 2.55 2.03 -1.92 -3.41 116.42 110.80 2ec2 h ASP 59 Ca 0.35 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.62 2ec2 h ASP 59 Cb 0.94 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 39.26 2ec2 h ASP 59 CO -0.31 0.53 0.25 -1.38 -1.03 0.00 0.00 179.24 177.30 2ec2 s HIS 60 N -2.95 -0.59 -0.10 4.15 -3.43 0.20 -4.49 115.29 108.08 2ec2 s HIS 60 Ca 0.03 0.89 -0.06 0.00 -0.80 0.00 0.00 55.06 55.12 2ec2 s HIS 60 Cb 0.08 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.63 2ec2 s HIS 60 CO 0.76 -0.61 0.13 0.42 -2.00 0.00 0.00 174.74 173.44 2ec2 s ILE 61 N -1.70 5.41 -0.43 -5.38 -1.09 -0.35 -1.51 121.20 116.14 2ec2 s ILE 61 Ca -0.07 0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.49 2ec2 s ILE 61 Cb -0.00 -3.37 0.14 0.00 -1.58 0.00 0.00 42.46 37.65 2ec2 s ILE 61 CO 0.04 0.58 0.26 -2.28 -1.23 0.00 0.00 174.94 172.31 2ec2 s HIS 62 N -1.06 1.71 -0.05 3.97 5.65 0.34 -2.96 115.29 122.90 2ec2 s HIS 62 Ca 0.16 -2.30 -0.26 0.00 0.25 0.00 0.00 55.06 52.92 2ec2 s HIS 62 Cb -0.12 -1.63 -0.03 0.00 -1.18 0.00 0.00 32.58 29.62 2ec2 s HIS 62 CO 0.06 -0.78 0.80 -1.17 -0.65 0.00 0.00 174.74 173.00 2ec2 s LEU 63 N 0.37 4.33 -0.49 8.88 2.96 -0.79 -2.43 118.68 131.51 2ec2 s LEU 63 Ca 0.20 1.35 0.02 0.00 -0.22 0.00 0.00 54.13 55.48 2ec2 s LEU 63 Cb -0.20 -3.26 0.13 0.00 0.50 0.00 0.00 46.19 43.36 2ec2 s LEU 63 CO -0.03 -0.18 0.25 0.12 -1.32 0.00 0.00 176.35 175.19 2ec2 s PHE 64 N 0.94 3.39 0.08 5.38 5.36 0.15 -0.34 117.98 132.95 2ec2 s PHE 64 Ca 0.43 -2.98 0.03 0.00 -0.96 0.00 0.00 56.93 53.44 2ec2 s PHE 64 Cb -0.19 -2.96 -0.04 0.00 -0.34 0.00 0.00 43.02 39.49 2ec2 s PHE 64 CO 0.21 -0.83 0.10 0.14 -1.46 0.00 0.00 175.22 173.38 2ec2 s VAL 65 N 0.13 4.62 -0.22 3.12 -7.23 -0.42 -0.04 120.40 120.35 2ec2 s VAL 65 Ca 0.15 -0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.51 2ec2 s VAL 65 Cb -0.23 -3.24 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 2ec2 s VAL 65 CO -0.03 0.11 0.04 0.21 -0.31 0.00 0.00 175.10 175.12 2ec2 s ASN 66 N -2.45 5.02 0.13 4.85 3.84 -0.96 -0.58 114.94 124.80 2ec2 s ASN 66 Ca 0.30 -0.19 0.07 0.00 0.21 0.00 0.00 52.86 53.25 2ec2 s ASN 66 Cb -0.12 -1.88 -0.04 0.00 -0.55 0.00 0.00 41.25 38.66 2ec2 s ASN 66 CO 0.23 0.02 -0.16 0.00 -2.79 0.00 0.00 177.10 174.40 2ec2 n PRO 68 N 0.53 1.27 0.12 0.00 -0.02 -1.26 -4.15 135.00 131.50 2ec2 n PRO 68 Ca -0.15 0.47 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 2ec2 n PRO 68 Cb 0.57 -2.14 0.47 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.29 0.15 0.11 0.52 -0.04 -1.26 -2.87 135.00 131.31 2ec2 n PRO 69 Ca 0.10 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.18 2ec2 n PRO 69 Cb 0.42 -1.84 0.40 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.13 0.27 -3.52 0.54 1.85 -1.26 -4.76 116.66 107.65 2ec2 n ARG 70 Ca 0.01 0.22 -0.37 0.00 -1.00 0.00 0.00 57.85 56.71 2ec2 n ARG 70 Cb 0.15 -1.81 -0.07 0.00 -1.05 0.00 0.00 32.46 29.67 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 -3.10 3.45 0.00 2.89 2.02 -1.14 -5.07 117.35 116.41 2ec2 s TYR 71 Ca 0.11 0.59 -0.28 0.00 -0.37 0.00 0.00 57.07 57.12 2ec2 s TYR 71 Cb 0.12 -2.36 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 2ec2 s TYR 71 CO 0.60 0.21 0.87 0.00 -1.57 0.00 0.00 175.55 175.66 2ec2 s ALA 72 N 0.57 3.25 0.17 3.71 0.00 -1.26 -4.94 121.76 123.25 2ec2 s ALA 72 Ca 0.17 0.40 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 2ec2 s ALA 72 Cb -0.13 -3.18 0.34 0.00 0.00 0.00 0.00 23.12 20.14 2ec2 s ALA 72 CO 0.04 -0.13 0.93 -2.30 0.00 0.00 0.00 175.76 174.31 2ec2 n PRO 73 N 3.56 -0.05 0.25 0.00 -0.02 -1.26 0.49 135.00 137.97 2ec2 n PRO 73 Ca 0.02 0.92 -0.16 0.00 -2.02 0.00 0.00 63.50 62.26 2ec2 n PRO 73 Cb 0.51 -1.40 -0.08 0.00 -0.02 0.00 0.00 33.50 32.51 2ec2 n PRO 73 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2ec2 h SER 74 N 0.00 -0.98 -0.96 2.55 0.02 -1.99 0.20 113.55 112.40 2ec2 h SER 74 Ca 0.31 0.08 0.17 0.00 -0.84 0.00 0.00 61.79 61.51 2ec2 h SER 74 Cb 0.55 0.32 -0.09 0.00 0.14 0.00 0.00 62.40 63.32 2ec2 h SER 74 CO -0.59 -0.53 0.61 0.22 -1.14 0.00 0.00 176.83 175.40 2ec2 h TYR 75 N -0.79 0.90 -0.06 3.45 3.20 -0.35 0.63 116.97 123.95 2ec2 h TYR 75 Ca -0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2ec2 h TYR 75 Cb 0.70 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2ec2 h TYR 75 CO -0.18 0.26 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.47 2ec2 h LEU 76 N 0.70 0.15 -0.66 2.82 3.38 -0.93 -1.93 115.31 118.85 2ec2 h LEU 76 Ca 0.51 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2ec2 h LEU 76 Cb 0.86 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2ec2 h LEU 76 CO -0.27 0.62 0.43 0.00 0.09 0.00 0.00 178.44 179.30 2ec2 h ALA 77 N 0.54 0.84 0.00 1.53 0.00 0.15 0.17 119.26 122.49 2ec2 h ALA 77 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2ec2 h ALA 77 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ec2 h ALA 77 CO 0.02 0.23 -0.25 -0.91 0.00 0.00 0.00 179.25 178.34 2ec2 h ASN 78 N 0.87 0.00 0.21 0.00 -0.26 -1.07 -2.92 115.58 112.41 2ec2 h ASN 78 Ca 0.25 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.98 2ec2 h ASN 78 Cb -0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 2ec2 h ASN 78 CO -0.07 0.25 -0.10 0.22 -1.06 0.00 0.00 177.43 176.67 2ec2 h TYR 79 N 0.00 -0.26 0.18 1.19 3.20 0.09 0.19 116.97 121.55 2ec2 h TYR 79 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2ec2 h TYR 79 Cb 0.76 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 2ec2 h TYR 79 CO 0.00 0.04 -0.33 0.74 -1.64 0.00 0.00 178.16 176.97 2ec2 h PHE 80 N -0.99 -0.95 -0.46 -3.82 0.04 -1.14 -0.49 116.94 109.13 2ec2 h PHE 80 Ca -0.03 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.85 2ec2 h PHE 80 Cb 0.42 0.39 -0.08 0.00 2.20 0.00 0.00 35.95 38.88 2ec2 h PHE 80 CO 0.05 -0.40 -0.05 0.87 -0.60 0.00 0.00 178.31 178.18 2ec2 h LYS 81 N -0.55 0.06 -0.30 1.51 1.57 -1.63 0.81 116.57 118.03 2ec2 h LYS 81 Ca -0.02 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 2ec2 h LYS 81 Cb 0.52 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2ec2 h LYS 81 CO -0.13 0.04 -0.41 0.78 -0.57 0.00 0.00 179.45 179.16 2ec2 h GLY 82 N 0.06 0.80 1.61 3.86 0.00 -0.60 -1.72 103.07 107.07 2ec2 h GLY 82 Ca 0.23 -0.82 -0.27 0.00 0.00 0.00 0.00 47.33 46.47 2ec2 h GLY 82 CO -0.42 0.74 -1.26 1.70 0.00 0.00 0.00 176.54 177.29 2ec2 h LYS 83 N 0.60 0.24 -0.30 4.80 1.63 -0.80 -3.00 116.57 119.73 2ec2 h LYS 83 Ca 0.05 -0.40 -0.13 0.00 -0.85 0.00 0.00 60.65 59.31 2ec2 h LYS 83 Cb 0.96 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2ec2 h LYS 83 CO 0.09 1.17 -0.33 0.66 -3.45 0.00 0.00 179.45 177.59 2ec2 h SER 84 N 0.06 0.81 -0.40 4.20 4.64 -0.85 -2.98 113.55 119.04 2ec2 h SER 84 Ca -0.14 -0.48 0.08 0.00 -0.47 0.00 0.00 61.79 60.78 2ec2 h SER 84 Cb 1.96 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 63.74 2ec2 h SER 84 CO 0.19 1.13 -0.10 0.00 -0.87 0.00 0.00 176.83 177.18 2ec2 h ALA 85 N 0.71 0.26 -0.10 5.18 0.00 -1.36 -1.10 119.26 122.85 2ec2 h ALA 85 Ca 0.04 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ec2 h ALA 85 Cb 0.91 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2ec2 h ALA 85 CO 0.08 -0.45 0.05 -0.09 0.00 0.00 0.00 179.25 178.84 2ec2 h ARG 86 N -0.00 0.13 0.00 0.00 2.43 -1.38 -2.09 114.38 113.47 2ec2 h ARG 86 Ca 0.19 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 2ec2 h ARG 86 Cb 0.29 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2ec2 h ARG 86 CO -0.41 0.10 -0.77 -0.07 -1.51 0.00 0.00 179.97 177.31 2ec2 h LEU 87 N 0.13 0.00 -0.75 3.80 3.38 -1.32 -3.27 115.31 117.27 2ec2 h LEU 87 Ca 0.03 -0.35 0.17 0.00 0.09 0.00 0.00 57.88 57.83 2ec2 h LEU 87 Cb 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 2ec2 h LEU 87 CO -0.01 1.11 0.17 0.40 0.09 0.00 0.00 178.44 180.20 2ec2 h ILE 88 N -1.00 0.48 -0.82 1.22 2.04 -1.17 0.64 117.51 118.90 2ec2 h ILE 88 Ca -0.17 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.67 2ec2 h ILE 88 Cb 0.89 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 2ec2 h ILE 88 CO -0.10 0.05 0.50 -0.07 0.00 0.00 0.00 178.15 178.53 2ec2 h LEU 89 N 0.25 0.79 0.71 1.44 3.38 -1.56 -1.94 115.31 118.38 2ec2 h LEU 89 Ca 0.43 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 2ec2 h LEU 89 Cb 0.75 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2ec2 h LEU 89 CO -0.54 0.51 -0.34 0.50 0.09 0.00 0.00 178.44 178.67 2ec2 h LYS 90 N 0.93 -0.92 -0.73 1.13 1.63 0.20 -2.82 116.57 115.99 2ec2 h LYS 90 Ca 0.36 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 2ec2 h LYS 90 Cb 0.15 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2ec2 h LYS 90 CO -0.17 -0.58 0.00 1.17 -3.45 0.00 0.00 179.45 176.42 2ec2 n LYS 91 N -5.45 2.02 -2.69 1.90 4.81 -0.66 -3.45 118.16 114.65 2ec2 n LYS 91 Ca -0.13 -0.91 -0.07 0.00 -0.87 0.00 0.00 58.31 56.32 2ec2 n LYS 91 Cb 0.39 -1.60 0.05 0.00 0.02 0.00 0.00 35.03 33.89 2ec2 n LYS 91 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2ec2 n PHE 92 N 0.18 0.55 -0.47 5.64 3.01 -0.74 -4.97 117.46 120.66 2ec2 n PHE 92 Ca 0.08 -2.56 0.41 0.00 1.01 0.00 0.00 57.45 56.39 2ec2 n PHE 92 Cb 0.46 -0.02 0.75 0.00 -0.01 0.00 0.00 39.48 40.65 2ec2 n PHE 92 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2ec2 h GLN 93 N 2.76 0.03 -0.83 -1.08 1.08 -1.53 0.56 115.11 116.11 2ec2 h GLN 93 Ca -0.14 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.11 2ec2 h GLN 93 Cb 1.21 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.58 2ec2 h GLN 93 CO 0.36 0.02 0.54 1.49 -0.95 0.00 0.00 178.83 180.30 2ec2 h GLU 94 N 0.04 0.92 0.00 1.46 4.57 -1.93 -1.95 114.58 117.68 2ec2 h GLU 94 Ca 0.73 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 58.70 2ec2 h GLU 94 Cb 2.79 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 31.15 2ec2 h GLU 94 CO -0.08 0.61 -0.96 1.25 -1.18 0.00 0.00 179.01 178.65 2ec2 h LEU 95 N 0.94 0.00 -1.25 1.64 5.85 -0.24 -2.93 115.31 119.32 2ec2 h LEU 95 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 2ec2 h LEU 95 Cb 0.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2ec2 h LEU 95 CO -0.12 0.65 0.44 0.50 -0.34 0.00 0.00 178.44 179.58 2ec2 h LYS 96 N 0.00 0.95 0.50 1.25 3.11 -0.96 -3.05 116.57 118.37 2ec2 h LYS 96 Ca -0.07 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.67 2ec2 h LYS 96 Cb 1.56 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 2ec2 h LYS 96 CO 0.07 0.65 -0.24 -0.22 -2.81 0.00 0.00 179.45 176.90 2ec2 h LYS 97 N 0.97 -0.65 -1.98 1.90 3.64 -1.35 0.14 116.57 119.25 2ec2 h LYS 97 Ca 0.26 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2ec2 h LYS 97 Cb -0.07 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2ec2 h LYS 97 CO -0.05 -0.37 0.00 -1.13 -2.27 0.00 0.00 179.45 175.63 2ec2 n SER 98 N -5.24 4.61 0.00 4.20 3.41 -1.11 -2.98 113.62 116.50 2ec2 n SER 98 Ca -0.10 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 2ec2 n SER 98 Cb 0.30 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 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 1.54 0.00 -3.20 6.66 5.66 -1.16 -4.97 114.28 118.80 2ec2 n THR 99 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 2ec2 n THR 99 Cb 0.44 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.29 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 -1.05 -5.26 -3.67 1.09 3.02 0.49 -3.88 115.26 106.01 2ec2 n ASN 100 Ca 0.00 -0.65 -0.26 0.00 -0.03 0.00 0.00 54.58 53.64 2ec2 n ASN 100 Cb 0.00 -4.92 0.04 0.00 -0.61 0.00 0.00 39.78 34.29 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 -1.21 -0.72 2.45 7.41 0.00 -1.21 -4.97 105.19 106.94 2ec2 n GLY 101 Ca -0.12 0.34 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 2ec2 n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ec2 n LYS 102 N -4.12 0.31 0.01 1.61 5.02 -1.25 -4.98 118.16 114.76 2ec2 n LYS 102 Ca -0.18 -2.92 -0.15 0.00 -2.02 0.00 0.00 58.31 53.05 2ec2 n LYS 102 Cb 0.63 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.92 2ec2 n LYS 102 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2ec2 h LEU 103 N 5.32 0.23 -8.71 -0.35 5.85 -1.93 -3.42 115.31 112.30 2ec2 h LEU 103 Ca 0.20 -0.47 -0.46 0.00 0.84 0.00 0.00 57.88 57.99 2ec2 h LEU 103 Cb 0.95 -0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.72 2ec2 h LEU 103 CO 0.31 1.41 -0.77 0.26 -0.34 0.00 0.00 178.44 179.32 2ec2 s TRP 104 N -2.59 1.58 0.78 1.25 0.52 -1.26 -3.64 118.94 115.58 2ec2 s TRP 104 Ca -0.12 -0.53 -0.12 0.00 0.02 0.00 0.00 56.10 55.36 2ec2 s TRP 104 Cb 0.07 -0.81 0.06 0.00 -1.15 0.00 0.00 33.47 31.65 2ec2 s TRP 104 CO 0.81 0.22 1.11 0.95 0.02 0.00 0.00 176.95 180.06 2ec2 s THR 105 N -2.15 2.98 -0.61 2.01 -4.23 -1.10 -4.70 115.64 107.84 2ec2 s THR 105 Ca 0.12 0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 60.95 2ec2 s THR 105 Cb -0.05 -3.17 0.51 0.00 1.34 0.00 0.00 72.50 71.13 2ec2 s THR 105 CO 0.04 -0.42 2.01 -1.14 -0.54 0.00 0.00 174.62 174.58 2ec2 n ARG 106 N -3.32 2.57 -4.37 3.99 0.00 -1.26 -4.86 116.66 109.41 2ec2 n ARG 106 Ca 0.07 -3.20 -0.26 0.00 -0.00 0.00 0.00 57.85 54.46 2ec2 n ARG 106 Cb 0.57 -2.26 -0.09 0.00 0.00 0.00 0.00 32.46 30.69 2ec2 n ARG 106 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2ec2 s SER 107 N -1.68 4.14 0.12 6.15 0.01 -1.26 -5.16 113.70 116.02 2ec2 s SER 107 Ca 0.63 -1.14 -0.25 0.00 1.31 0.00 0.00 55.95 56.50 2ec2 s SER 107 Cb 0.50 -0.47 0.07 0.00 0.21 0.00 0.00 66.02 66.34 2ec2 s SER 107 CO 0.02 -0.38 0.76 -0.72 0.41 0.00 0.00 173.24 173.32 2ec2 s TYR 108 N -2.60 -0.37 -0.12 2.43 -0.85 -1.26 -4.75 117.35 109.82 2ec2 s TYR 108 Ca 0.37 0.14 0.01 0.00 -0.52 0.00 0.00 57.07 57.06 2ec2 s TYR 108 Cb 0.04 0.58 0.02 0.00 0.38 0.00 0.00 41.96 42.98 2ec2 s TYR 108 CO 0.20 -0.80 -0.13 0.12 -1.52 0.00 0.00 175.55 173.41 2ec2 s PHE 109 N -3.51 1.94 -0.02 -3.49 2.19 0.63 -4.98 117.98 110.74 2ec2 s PHE 109 Ca 0.05 -0.99 0.07 0.00 0.33 0.00 0.00 56.93 56.39 2ec2 s PHE 109 Cb -0.02 -1.44 -0.02 0.00 -1.31 0.00 0.00 43.02 40.23 2ec2 s PHE 109 CO -0.07 -0.55 -0.23 0.54 1.83 0.00 0.00 175.22 176.74 2ec2 s VAL 110 N 1.30 1.83 -0.15 3.12 0.11 -1.25 0.72 120.40 126.08 2ec2 s VAL 110 Ca -0.00 -1.00 -0.09 0.00 -2.93 0.00 0.00 61.98 57.95 2ec2 s VAL 110 Cb -0.14 -1.52 0.05 0.00 -1.53 0.00 0.00 36.38 33.24 2ec2 s VAL 110 CO -0.06 0.51 0.37 -0.55 -3.33 0.00 0.00 175.10 172.04 2ec2 s SER 111 N -0.57 -0.44 0.50 3.54 0.15 0.07 -4.94 113.70 112.00 2ec2 s SER 111 Ca 0.09 0.80 -0.21 0.00 0.70 0.00 0.00 55.95 57.33 2ec2 s SER 111 Cb -0.09 0.70 -0.07 0.00 -1.71 0.00 0.00 66.02 64.85 2ec2 s SER 111 CO -0.01 -0.17 1.09 0.42 1.20 0.00 0.00 173.24 175.77 2ec2 s THR 112 N 1.11 3.45 0.05 6.45 -4.23 -1.26 0.08 115.64 121.29 2ec2 s THR 112 Ca -0.07 0.95 0.03 0.00 -1.18 0.00 0.00 61.69 61.41 2ec2 s THR 112 Cb -0.07 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 2ec2 s THR 112 CO -0.09 -0.15 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.20 2ec2 s SER 113 N -1.77 1.05 0.00 3.99 0.15 0.45 -4.88 113.70 112.69 2ec2 s SER 113 Ca 0.68 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2ec2 s SER 113 Cb -0.21 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2ec2 s SER 113 CO 0.25 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2ec2 n GLY 114 N 1.40 4.30 4.00 9.45 0.00 -1.26 -3.93 105.19 119.15 2ec2 n GLY 114 Ca -0.22 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 5.35 -0.03 1.61 -0.87 -1.26 -5.13 114.94 114.62 2ec2 s ASN 115 Ca 0.00 -0.64 0.00 0.00 -1.57 0.00 0.00 52.86 50.65 2ec2 s ASN 115 Cb 0.00 -0.25 0.03 0.00 -0.02 0.00 0.00 41.25 41.00 2ec2 s ASN 115 CO 0.00 -0.98 0.00 -0.69 -2.57 0.00 0.00 177.10 172.87 2ec2 s VAL 116 N -2.50 0.13 0.28 1.60 1.01 -1.26 -4.77 120.40 114.89 2ec2 s VAL 116 Ca 0.56 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.72 2ec2 s VAL 116 Cb -0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 2ec2 s VAL 116 CO 0.34 0.13 0.18 -0.94 0.00 0.00 0.00 175.10 174.81 2ec2 s SER 117 N 0.96 5.23 0.26 3.32 1.04 -1.26 -5.02 113.70 118.24 2ec2 s SER 117 Ca -0.09 -0.41 -0.01 0.00 0.48 0.00 0.00 55.95 55.91 2ec2 s SER 117 Cb -0.13 -1.16 0.48 0.00 0.10 0.00 0.00 66.02 65.31 2ec2 s SER 117 CO -0.02 -0.12 1.82 0.28 0.98 0.00 0.00 173.24 176.18 2ec2 h SER 118 N 1.51 0.80 -0.78 7.02 0.02 -2.01 -2.00 113.55 118.11 2ec2 h SER 118 Ca -0.47 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 60.65 2ec2 h SER 118 Cb 1.24 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.60 2ec2 h SER 118 CO 0.60 0.43 0.40 -0.33 -1.14 0.00 0.00 176.83 176.79 2ec2 h GLU 119 N 0.89 0.61 0.00 3.45 3.07 -2.00 -0.26 114.58 120.35 2ec2 h GLU 119 Ca 0.45 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.27 2ec2 h GLU 119 Cb 0.44 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2ec2 h GLU 119 CO -0.26 0.41 -0.00 1.15 -1.40 0.00 0.00 179.01 178.90 2ec2 h THR 120 N 0.63 1.06 -0.14 1.13 2.02 -1.77 -1.80 112.91 114.04 2ec2 h THR 120 Ca 0.40 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.40 2ec2 h THR 120 Cb 0.47 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2ec2 h THR 120 CO -0.30 0.04 0.08 0.40 0.37 0.00 0.00 175.52 176.11 2ec2 h ILE 121 N -0.08 1.07 0.03 3.11 2.04 -1.04 -2.40 117.51 120.24 2ec2 h ILE 121 Ca -0.00 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.71 2ec2 h ILE 121 Cb 0.08 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2ec2 h ILE 121 CO 0.00 0.06 -0.18 0.11 0.00 0.00 0.00 178.15 178.14 2ec2 h LYS 122 N 0.15 -0.30 -1.13 2.37 6.56 -0.99 -1.81 116.57 121.41 2ec2 h LYS 122 Ca 0.05 0.02 0.31 0.00 -1.06 0.00 0.00 60.65 59.97 2ec2 h LYS 122 Cb 0.03 0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 31.67 2ec2 h LYS 122 CO -0.01 -0.20 0.74 -0.22 -2.06 0.00 0.00 179.45 177.71 2ec2 h LYS 123 N -0.31 0.25 0.05 3.15 3.64 -1.08 0.96 116.57 123.22 2ec2 h LYS 123 Ca 0.05 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 2ec2 h LYS 123 Cb 0.37 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2ec2 h LYS 123 CO -0.15 0.17 -0.66 -0.92 -2.27 0.00 0.00 179.45 175.61 2ec2 h TYR 124 N 0.26 0.57 -0.09 1.91 3.20 -0.88 -2.23 116.97 119.71 2ec2 h TYR 124 Ca 0.63 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2ec2 h TYR 124 Cb 1.87 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 40.08 2ec2 h TYR 124 CO -0.00 1.20 0.06 0.82 -1.64 0.00 0.00 178.16 178.60 2ec2 h ILE 125 N -0.22 1.03 0.00 1.81 2.04 -0.17 -2.49 117.51 119.51 2ec2 h ILE 125 Ca -0.10 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2ec2 h ILE 125 Cb 1.42 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2ec2 h ILE 125 CO 0.13 0.03 -0.15 -0.08 0.00 0.00 0.00 178.15 178.07 2ec2 h GLU 126 N 0.12 0.00 -0.01 2.37 4.81 0.82 -1.30 114.58 121.39 2ec2 h GLU 126 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2ec2 h GLU 126 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2ec2 h GLU 126 CO -0.01 0.15 -0.33 -0.85 -0.73 0.00 0.00 179.01 177.25 2ec2 n GLU 127 N -3.67 1.16 0.00 1.92 0.28 -0.84 -4.06 120.64 115.44 2ec2 n GLU 127 Ca -0.02 -0.86 0.13 0.00 -0.16 0.00 0.00 57.16 56.26 2ec2 n GLU 127 Cb 0.28 -1.48 0.39 0.00 1.43 0.00 0.00 31.44 32.05 2ec2 n GLU 127 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2ec2 n GLN 128 N -0.17 0.41 -0.04 3.44 1.13 -0.49 -4.29 117.38 117.37 2ec2 n GLN 128 Ca 0.11 -0.21 -0.14 0.00 -1.94 0.00 0.00 57.00 54.81 2ec2 n GLN 128 Cb 0.42 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.16 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 0.52 0.12 0.00 1.08 4.06 -1.70 -3.51 115.95 116.52 2ec2 h TRP 129 Ca 0.00 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.88 2ec2 h TRP 129 Cb 0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 2ec2 h TRP 129 CO 0.00 0.90 0.00 0.00 -3.56 0.00 0.00 178.44 175.78