#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhn n LEU 2 N 0.00 0.00 0.00 4.03 4.32 -1.26 -5.03 117.00 119.06 2vhn n LEU 2 Ca 0.00 0.81 0.00 0.00 -0.02 0.00 0.00 56.01 56.80 2vhn n LEU 2 Cb 0.00 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 2vhn n LEU 2 CO 0.00 -0.31 0.00 0.00 -1.22 0.00 0.00 177.39 175.86 2vhn n GLN 3 N -1.77 0.00 0.00 3.23 1.13 -1.26 -5.01 117.38 113.70 2vhn n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2vhn n GLN 3 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2vhn n GLN 3 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2vhn n PRO 4 N 0.74 0.00 0.00 -1.09 -0.02 -1.26 -4.40 135.00 128.96 2vhn n PRO 4 Ca 0.00 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2vhn n PRO 4 Cb 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 2vhn n PRO 4 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2vhn n LYS 5 N -0.58 0.00 0.00 -0.52 4.81 -1.26 -4.76 118.16 115.85 2vhn n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2vhn n LYS 5 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2vhn n LYS 5 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2vhn n ARG 6 N 0.00 0.00 -1.31 1.64 3.00 -1.26 -4.80 116.66 113.92 2vhn n ARG 6 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.81 2vhn n ARG 6 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 2vhn n ARG 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2vhn n THR 7 N 0.00 0.00 -3.97 0.55 -2.24 -1.26 -4.73 114.28 102.62 2vhn n THR 7 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2vhn n THR 7 Cb 0.00 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 2vhn n THR 7 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2vhn n LYS 8 N -0.63 1.09 0.00 -0.78 4.81 -1.26 -5.16 118.16 116.23 2vhn n LYS 8 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2vhn n LYS 8 Cb 0.06 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.11 2vhn n LYS 8 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2vhn n PHE 9 N 0.00 0.00 -1.51 5.64 1.16 -1.26 -5.04 117.46 116.45 2vhn n PHE 9 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2vhn n PHE 9 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2vhn n PHE 9 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2vhn n ARG 10 N 0.00 0.00 0.00 3.97 1.85 -1.26 -5.09 116.66 116.13 2vhn n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2vhn n ARG 10 Cb 0.00 -0.11 0.00 0.00 -1.05 0.00 0.00 32.46 31.30 2vhn n ARG 10 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2vhn n LYS 11 N 0.00 0.00 -2.44 2.89 2.85 -1.26 -4.77 118.16 115.43 2vhn n LYS 11 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 2vhn n LYS 11 Cb 0.20 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.56 2vhn n LYS 11 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2vhn n MET 12 N 0.00 -0.97 0.00 -1.58 2.81 -1.26 -4.48 117.12 111.64 2vhn n MET 12 Ca 0.00 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2vhn n MET 12 Cb 0.00 -0.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 2vhn n MET 12 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2vhn n HIS 13 N -1.40 0.00 0.00 2.03 -0.00 -1.26 -4.81 115.22 109.79 2vhn n HIS 13 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2vhn n HIS 13 Cb 0.10 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 2vhn n HIS 13 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2vhn n LYS 14 N 11.26 0.00 0.00 -0.41 0.00 -1.26 -5.07 118.16 122.68 2vhn n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2vhn n LYS 14 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2vhn n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2vhn n GLY 15 N 0.00 1.05 0.00 2.58 0.00 -1.26 -4.90 105.19 102.66 2vhn n GLY 15 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2vhn n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2vhn n ARG 16 N -0.10 0.00 0.00 1.61 0.63 -1.26 -4.89 116.66 112.65 2vhn n ARG 16 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2vhn n ARG 16 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2vhn n ARG 16 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2vhn n ASN 17 N 0.00 0.00 0.00 6.15 5.15 -1.26 -5.04 115.26 120.26 2vhn n ASN 17 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2vhn n ASN 17 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2vhn n ASN 17 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2vhn n ARG 18 N 0.00 0.00 -3.05 1.20 0.00 -1.26 -5.19 116.66 108.37 2vhn n ARG 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2vhn n ARG 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 2vhn n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2vhn n GLY 19 N 4.76 -1.20 0.00 2.89 0.00 -1.26 -5.20 105.19 105.18 2vhn n GLY 19 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2vhn n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vhn n LEU 20 N 0.00 0.00 0.00 0.99 4.32 -1.26 -5.16 117.00 115.89 2vhn n LEU 20 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2vhn n LEU 20 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2vhn n LEU 20 CO 0.00 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.17 2vhn n ALA 21 N -3.00 0.00 -3.94 -1.18 0.00 -1.26 -5.18 120.51 105.96 2vhn n ALA 21 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2vhn n ALA 21 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2vhn n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vhn n GLN 22 N 0.00 0.71 0.00 0.00 -0.00 -1.26 -4.92 117.38 111.91 2vhn n GLN 22 Ca 0.00 -3.36 0.00 0.00 -0.00 0.00 0.00 57.00 53.64 2vhn n GLN 22 Cb 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 30.24 30.64 2vhn n GLN 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2vhn n GLY 23 N -1.40 1.67 0.00 2.61 0.00 -1.26 -4.83 105.19 101.98 2vhn n GLY 23 Ca -0.03 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2vhn n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2vhn n THR 24 N 0.00 0.00 -3.54 2.61 5.66 -1.26 -4.95 114.28 112.80 2vhn n THR 24 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2vhn n THR 24 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 2vhn n THR 24 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2vhn s ASP 25 N 0.00 -0.41 0.00 1.09 3.84 -1.26 -4.63 116.67 115.30 2vhn s ASP 25 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 52.55 52.46 2vhn s ASP 25 Cb 0.00 0.53 0.00 0.00 -1.38 0.00 0.00 42.92 42.07 2vhn s ASP 25 CO 0.00 -0.87 0.00 0.52 -0.00 0.00 0.00 175.17 174.82 2vhn n VAL 26 N -0.15 0.00 0.00 2.11 0.31 -1.26 -5.04 118.33 114.30 2vhn n VAL 26 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2vhn n VAL 26 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 2vhn n VAL 26 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2vhn n SER 27 N 0.00 0.00 0.00 4.52 2.88 -1.26 -4.89 113.62 114.87 2vhn n SER 27 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2vhn n SER 27 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2vhn n SER 27 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2vhn n PHE 28 N -0.67 0.00 0.00 0.66 -0.00 -1.26 -5.01 117.46 111.18 2vhn n PHE 28 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2vhn n PHE 28 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2vhn n PHE 28 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2vhn n GLY 29 N 1.25 0.92 2.74 7.13 0.00 -1.26 -5.03 105.19 110.95 2vhn n GLY 29 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2vhn n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vhn n SER 30 N 0.00 -0.06 0.00 1.61 3.41 0.64 -4.60 113.62 114.62 2vhn n SER 30 Ca 0.00 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 2vhn n SER 30 Cb 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2vhn n SER 30 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2vhn n PHE 31 N -1.04 0.00 0.00 7.33 7.35 -1.16 -4.46 117.46 125.48 2vhn n PHE 31 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2vhn n PHE 31 Cb 0.84 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.67 2vhn n PHE 31 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2vhn n GLY 32 N -1.48 2.86 0.00 7.13 0.00 -1.14 0.50 105.19 113.06 2vhn n GLY 32 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2vhn n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2vhn n LEU 33 N 0.00 0.00 -4.61 0.99 0.00 -1.26 -4.16 117.00 107.96 2vhn n LEU 33 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.58 2vhn n LEU 33 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 2vhn n LEU 33 CO 0.00 0.00 1.08 -0.75 0.00 0.00 0.00 177.39 177.72 2vhn s LYS 34 N 0.00 3.75 0.93 1.96 2.20 -1.25 -1.78 119.74 125.55 2vhn s LYS 34 Ca 0.00 0.78 -0.12 0.00 -0.36 0.00 0.00 55.97 56.27 2vhn s LYS 34 Cb 0.00 -3.91 0.15 0.00 -1.51 0.00 0.00 37.83 32.56 2vhn s LYS 34 CO 0.00 -1.34 1.13 0.00 -0.36 0.00 0.00 175.35 174.78 2vhn s ALA 35 N 4.58 1.65 -0.02 3.13 0.00 -1.05 -3.73 121.76 126.32 2vhn s ALA 35 Ca 0.52 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 2vhn s ALA 35 Cb -0.10 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2vhn s ALA 35 CO 0.29 -2.37 0.23 0.54 0.00 0.00 0.00 175.76 174.45 2vhn s VAL 36 N -3.24 0.06 -0.15 0.00 0.11 0.13 -4.31 120.40 113.00 2vhn s VAL 36 Ca 0.64 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 59.17 2vhn s VAL 36 Cb -0.15 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2vhn s VAL 36 CO 0.54 -0.28 0.16 0.61 -3.33 0.00 0.00 175.10 172.80 2vhn n GLY 37 N 1.55 -0.65 2.99 6.54 0.00 -1.26 -3.27 105.19 111.09 2vhn n GLY 37 Ca -0.21 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2vhn n GLY 37 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2vhn n ARG 38 N -0.88 0.00 0.00 1.61 1.85 -1.23 -4.53 116.66 113.48 2vhn n ARG 38 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2vhn n ARG 38 Cb 0.34 -0.95 0.00 0.00 -1.05 0.00 0.00 32.46 30.79 2vhn n ARG 38 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2vhn n GLY 39 N 2.85 1.45 2.81 2.89 0.00 -1.19 -5.01 105.19 109.00 2vhn n GLY 39 Ca 0.03 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2vhn n GLY 39 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vhn s ARG 40 N 4.54 1.01 -0.42 1.61 3.52 -1.26 -4.01 118.95 123.94 2vhn s ARG 40 Ca 0.00 -0.91 -0.25 0.00 -0.13 0.00 0.00 55.73 54.44 2vhn s ARG 40 Cb 0.00 -2.28 0.02 0.00 -1.56 0.00 0.00 34.95 31.13 2vhn s ARG 40 CO 0.00 -0.77 0.88 -0.51 -0.81 0.00 0.00 175.30 174.09 2vhn s LEU 41 N 1.57 4.05 0.00 -0.88 1.43 -1.26 -4.79 118.68 118.81 2vhn s LEU 41 Ca 0.02 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2vhn s LEU 41 Cb -0.18 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2vhn s LEU 41 CO -0.13 -0.93 0.49 0.35 0.23 0.00 0.00 176.35 176.36 2vhn n THR 42 N 6.17 0.30 0.00 5.49 -2.24 -1.26 -3.56 114.28 119.17 2vhn n THR 42 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2vhn n THR 42 Cb 0.48 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2vhn n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vhn n ALA 43 N 0.38 0.00 0.00 6.98 0.00 -1.24 -2.26 120.51 124.37 2vhn n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vhn n ALA 43 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2vhn n ALA 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2vhn n ARG 44 N 0.00 0.00 -0.07 0.00 1.85 -1.26 0.11 116.66 117.30 2vhn n ARG 44 Ca 0.00 0.19 -0.07 0.00 -1.00 0.00 0.00 57.85 56.97 2vhn n ARG 44 Cb 0.00 -1.69 -0.05 0.00 -1.05 0.00 0.00 32.46 29.67 2vhn n ARG 44 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2vhn h GLN 45 N 0.00 0.00 -1.03 2.89 4.15 -1.78 -2.75 115.11 116.58 2vhn h GLN 45 Ca 0.00 0.00 0.26 0.00 0.77 0.00 0.00 58.65 59.68 2vhn h GLN 45 Cb 0.39 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.97 2vhn h GLN 45 CO 0.00 0.38 0.64 0.82 -1.93 0.00 0.00 178.83 178.74 2vhn h ILE 46 N -1.00 0.51 0.00 2.39 2.04 0.53 0.93 117.51 122.92 2vhn h ILE 46 Ca -0.04 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 2vhn h ILE 46 Cb 0.51 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2vhn h ILE 46 CO -0.02 0.09 -0.51 -0.08 0.00 0.00 0.00 178.15 177.62 2vhn h GLU 47 N 0.47 0.00 -0.32 2.37 4.57 -1.62 -2.97 114.58 117.07 2vhn h GLU 47 Ca 0.63 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.88 2vhn h GLU 47 Cb 1.41 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.93 2vhn h GLU 47 CO -0.38 0.20 -0.16 0.00 -1.18 0.00 0.00 179.01 177.49 2vhn h ALA 48 N 1.76 0.09 -0.41 2.92 0.00 0.12 0.61 119.26 124.36 2vhn h ALA 48 Ca -0.02 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2vhn h ALA 48 Cb 1.20 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 2vhn h ALA 48 CO 0.03 -0.54 0.12 0.00 0.00 0.00 0.00 179.25 178.85 2vhn n ALA 49 N -2.74 3.62 -0.36 0.00 0.00 -0.96 -2.91 120.51 117.16 2vhn n ALA 49 Ca 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.16 2vhn n ALA 49 Cb 0.25 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2vhn n ALA 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2vhn n ARG 50 N 0.11 0.00 0.26 0.00 3.00 0.21 -2.64 116.66 117.60 2vhn n ARG 50 Ca 0.22 0.19 0.09 0.00 -0.00 0.00 0.00 57.85 58.34 2vhn n ARG 50 Cb 0.92 -0.62 0.45 0.00 0.00 0.00 0.00 32.46 33.22 2vhn n ARG 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2vhn h ARG 51 N 0.00 0.00 0.06 -0.14 3.08 -1.57 -2.15 114.38 113.66 2vhn h ARG 51 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 2vhn h ARG 51 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2vhn h ARG 51 CO 0.00 0.00 -1.80 0.00 -1.07 0.00 0.00 179.97 177.10 2vhn n ALA 52 N -1.66 0.91 0.50 0.04 0.00 -1.14 -3.45 120.51 115.71 2vhn n ALA 52 Ca -0.01 -0.63 0.12 0.00 0.00 0.00 0.00 53.44 52.92 2vhn n ALA 52 Cb 0.49 -0.52 0.46 0.00 0.00 0.00 0.00 19.45 19.88 2vhn n ALA 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2vhn n MET 53 N -3.90 0.19 -2.15 0.00 0.00 -0.82 -0.32 117.12 110.11 2vhn n MET 53 Ca -0.35 0.33 -0.28 0.00 -0.00 0.00 0.00 57.70 57.41 2vhn n MET 53 Cb 0.89 -1.81 0.02 0.00 0.00 0.00 0.00 33.22 32.32 2vhn n MET 53 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2vhn n THR 54 N -2.15 2.64 -2.54 1.12 -2.24 -1.14 -4.73 114.28 105.23 2vhn n THR 54 Ca 0.03 -4.43 -0.41 0.00 -2.27 0.00 0.00 64.05 56.97 2vhn n THR 54 Cb 0.29 -1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 67.28 2vhn n THR 54 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2vhn s ARG 55 N -3.63 3.31 0.00 -0.78 3.52 0.56 -3.91 118.95 118.02 2vhn s ARG 55 Ca 0.51 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 2vhn s ARG 55 Cb 0.42 -4.12 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 2vhn s ARG 55 CO -0.10 -1.97 0.00 0.00 -0.81 0.00 0.00 175.30 172.42 2vhn n ALA 56 N 9.10 0.00 -1.31 6.12 0.00 -1.26 -4.85 120.51 128.31 2vhn n ALA 56 Ca 0.06 0.00 -0.60 0.00 0.00 0.00 0.00 53.44 52.90 2vhn n ALA 56 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 2vhn n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2vhn n VAL 57 N 0.00 0.02 -0.62 0.00 0.31 -1.25 -4.62 118.33 112.16 2vhn n VAL 57 Ca 0.00 -0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.11 2vhn n VAL 57 Cb 0.00 -0.59 -0.00 0.00 -0.91 0.00 0.00 33.84 32.34 2vhn n VAL 57 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2vhn n LYS 58 N 7.26 0.00 -0.07 5.55 4.81 -1.26 -4.74 118.16 129.71 2vhn n LYS 58 Ca 0.52 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.98 2vhn n LYS 58 Cb -0.02 -0.48 0.06 0.00 0.02 0.00 0.00 35.03 34.61 2vhn n LYS 58 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2vhn n ARG 59 N 0.66 1.33 -2.34 1.64 0.63 -1.26 -4.89 116.66 112.42 2vhn n ARG 59 Ca 0.05 -0.50 -0.40 0.00 -0.92 0.00 0.00 57.85 56.08 2vhn n ARG 59 Cb 0.20 -1.11 -0.03 0.00 0.45 0.00 0.00 32.46 31.96 2vhn n ARG 59 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2vhn s GLN 60 N -1.81 4.39 3.13 -0.14 0.74 -1.26 -4.70 119.66 120.01 2vhn s GLN 60 Ca 0.09 1.90 0.00 0.00 0.05 0.00 0.00 55.36 57.41 2vhn s GLN 60 Cb 0.05 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 31.17 2vhn s GLN 60 CO 0.06 -0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.16 2vhn n GLY 61 N 0.89 0.47 0.00 2.59 0.00 -1.26 -4.79 105.19 103.09 2vhn n GLY 61 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2vhn n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vhn n LYS 62 N 0.00 0.00 -3.64 1.61 4.76 -1.26 -4.94 118.16 114.69 2vhn n LYS 62 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 2vhn n LYS 62 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 2vhn n LYS 62 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2vhn s ILE 63 N -2.87 0.00 0.14 -0.18 -4.36 -1.26 -1.48 121.20 111.19 2vhn s ILE 63 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.46 2vhn s ILE 63 Cb 0.00 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 2vhn s ILE 63 CO 0.00 0.00 -0.15 -1.66 0.24 0.00 0.00 174.94 173.37 2vhn s TRP 64 N 0.99 1.53 -0.33 1.37 -2.14 -1.23 -5.09 118.94 114.05 2vhn s TRP 64 Ca -0.05 -0.55 0.01 0.00 2.66 0.00 0.00 56.10 58.17 2vhn s TRP 64 Cb -0.04 -0.78 0.08 0.00 -3.10 0.00 0.00 33.47 29.63 2vhn s TRP 64 CO -0.12 0.21 0.03 -1.50 -2.66 0.00 0.00 176.95 172.91 2vhn s ILE 65 N -2.31 2.61 0.00 0.66 2.07 -1.26 -4.24 121.20 118.73 2vhn s ILE 65 Ca 0.13 -1.91 0.00 0.00 -1.41 0.00 0.00 60.65 57.46 2vhn s ILE 65 Cb -0.04 -2.71 0.00 0.00 0.13 0.00 0.00 42.46 39.84 2vhn s ILE 65 CO 0.04 -0.37 0.88 0.54 -1.91 0.00 0.00 174.94 174.12 2vhn n ARG 66 N 4.44 0.00 -0.33 3.50 5.12 -1.26 -4.70 116.66 123.43 2vhn n ARG 66 Ca -0.05 0.79 -0.12 0.00 -1.93 0.00 0.00 57.85 56.53 2vhn n ARG 66 Cb 0.42 -1.38 0.01 0.00 -1.16 0.00 0.00 32.46 30.35 2vhn n ARG 66 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2vhn n VAL 67 N -2.37 0.00 -3.15 1.55 0.31 -1.26 -5.04 118.33 108.37 2vhn n VAL 67 Ca 0.00 -0.11 0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2vhn n VAL 67 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2vhn n VAL 67 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2vhn s PHE 68 N -0.67 -0.65 0.78 3.52 2.19 -1.26 -5.04 117.98 116.85 2vhn s PHE 68 Ca 0.13 0.64 -0.16 0.00 0.33 0.00 0.00 56.93 57.87 2vhn s PHE 68 Cb -0.02 0.21 -0.06 0.00 -1.31 0.00 0.00 43.02 41.84 2vhn s PHE 68 CO 0.26 -0.36 0.21 -2.30 1.83 0.00 0.00 175.22 174.86 2vhn n PRO 69 N 5.43 0.11 -3.59 10.12 -0.02 -1.26 -4.93 135.00 140.86 2vhn n PRO 69 Ca -0.04 0.07 -0.26 0.00 -2.02 0.00 0.00 63.50 61.24 2vhn n PRO 69 Cb 0.54 -1.60 -0.16 0.00 -0.02 0.00 0.00 33.50 32.26 2vhn n PRO 69 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2vhn s ASP 70 N -1.44 2.57 0.56 2.55 1.01 -0.11 -4.83 116.67 116.99 2vhn s ASP 70 Ca 0.59 -0.75 0.31 0.00 0.71 0.00 0.00 52.55 53.40 2vhn s ASP 70 Cb -0.32 -0.24 1.46 0.00 1.01 0.00 0.00 42.92 44.84 2vhn s ASP 70 CO 0.65 -0.37 1.87 0.11 0.21 0.00 0.00 175.17 177.64 2vhn h LYS 71 N 8.41 0.00 -4.68 8.23 1.79 -1.84 -3.32 116.57 125.16 2vhn h LYS 71 Ca -0.16 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.72 2vhn h LYS 71 Cb 1.12 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.81 2vhn h LYS 71 CO 0.32 0.00 2.04 -2.30 -1.08 0.00 0.00 179.45 178.43 2vhn n PRO 72 N -4.04 1.44 -3.42 3.15 -0.02 -1.26 -3.88 135.00 126.98 2vhn n PRO 72 Ca 0.15 -1.91 -0.34 0.00 -2.02 0.00 0.00 63.50 59.38 2vhn n PRO 72 Cb 0.89 -3.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 2vhn n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2vhn n ILE 73 N 6.37 3.29 -1.53 4.25 2.08 -1.26 -4.18 119.36 128.39 2vhn n ILE 73 Ca 0.49 -5.35 -0.43 0.00 0.56 0.00 0.00 62.75 58.02 2vhn n ILE 73 Cb 0.42 -2.19 0.00 0.00 -0.75 0.00 0.00 39.64 37.12 2vhn n ILE 73 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2vhn n THR 74 N 1.50 2.07 -2.36 1.39 -1.04 -1.26 -4.34 114.28 110.24 2vhn n THR 74 Ca 0.26 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2vhn n THR 74 Cb 0.37 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 2vhn n THR 74 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2vhn n GLU 75 N 0.50 3.85 -3.47 -2.82 -0.58 0.11 -4.91 120.64 113.31 2vhn n GLU 75 Ca 0.11 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.72 2vhn n GLU 75 Cb 0.37 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.20 2vhn n GLU 75 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2vhn s LYS 76 N 1.88 1.07 0.00 3.49 2.36 -1.26 -3.79 119.74 123.49 2vhn s LYS 76 Ca 0.00 -0.20 0.00 0.00 -2.55 0.00 0.00 55.97 53.22 2vhn s LYS 76 Cb 0.00 0.50 0.00 0.00 -1.05 0.00 0.00 37.83 37.28 2vhn s LYS 76 CO 0.00 -0.43 0.00 -2.30 1.55 0.00 0.00 175.35 174.17 2vhn n PRO 77 N 0.06 0.00 -2.70 4.03 -0.02 -1.26 -5.05 135.00 130.05 2vhn n PRO 77 Ca -0.15 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.26 2vhn n PRO 77 Cb 0.62 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.19 2vhn n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2vhn n LEU 78 N 0.00 -1.92 0.00 2.45 0.00 -1.26 -5.13 117.00 111.15 2vhn n LEU 78 Ca 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 56.01 52.80 2vhn n LEU 78 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 43.42 43.97 2vhn n LEU 78 CO 0.00 1.85 0.00 0.00 0.00 0.00 0.00 177.39 179.24 2vhn n ALA 79 N -0.13 0.00 -0.65 1.96 0.00 -1.26 -5.17 120.51 115.26 2vhn n ALA 79 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 2vhn n ALA 79 Cb 0.76 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.22 2vhn n ALA 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2vhn n VAL 80 N 0.00 0.00 -4.46 0.00 0.31 -1.26 -4.99 118.33 107.93 2vhn n VAL 80 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 2vhn n VAL 80 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 2vhn n VAL 80 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2vhn s ARG 81 N -1.55 2.87 -0.64 5.55 6.06 -1.26 -4.46 118.95 125.52 2vhn s ARG 81 Ca 0.10 -0.49 -0.04 0.00 -2.50 0.00 0.00 55.73 52.80 2vhn s ARG 81 Cb 0.03 -2.70 0.00 0.00 0.06 0.00 0.00 34.95 32.34 2vhn s ARG 81 CO 0.18 0.68 0.55 -1.33 -2.50 0.00 0.00 175.30 172.88 2vhn n MET 82 N 2.09 -3.72 -0.15 5.12 2.81 -1.26 -4.92 117.12 117.09 2vhn n MET 82 Ca -0.18 0.39 -0.04 0.00 -1.81 0.00 0.00 57.70 56.07 2vhn n MET 82 Cb 0.53 -4.10 0.03 0.00 -0.71 0.00 0.00 33.22 28.97 2vhn n MET 82 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2vhn h GLY 83 N -1.25 0.27 0.00 3.03 0.00 -1.95 -3.45 103.07 99.72 2vhn h GLY 83 Ca -0.27 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2vhn h GLY 83 CO 0.26 -0.19 0.00 1.17 0.00 0.00 0.00 176.54 177.78 2vhn n LYS 84 N -5.37 0.00 -0.43 4.80 4.81 -1.26 -5.03 118.16 115.68 2vhn n LYS 84 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2vhn n LYS 84 Cb 0.28 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.33 2vhn n LYS 84 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vhn n GLY 85 N 0.00 -0.84 0.00 3.14 0.00 -1.26 -5.16 105.19 101.08 2vhn n GLY 85 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2vhn n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vhn n LYS 86 N 0.33 3.96 -1.01 1.61 4.81 -1.25 -5.03 118.16 121.59 2vhn n LYS 86 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 2vhn n LYS 86 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 2vhn n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vhn n GLY 87 N 5.00 -0.17 0.09 3.14 0.00 -1.26 -4.12 105.19 107.87 2vhn n GLY 87 Ca 0.00 0.51 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 2vhn n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vhn n ASN 88 N 1.08 0.76 0.00 1.61 0.23 -1.26 -0.71 115.26 116.97 2vhn n ASN 88 Ca 0.14 -0.01 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 2vhn n ASN 88 Cb 0.05 0.81 0.00 0.00 -2.08 0.00 0.00 39.78 38.56 2vhn n ASN 88 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2vhn n VAL 89 N -2.71 0.00 -3.31 3.53 3.14 -1.26 -4.03 118.33 113.69 2vhn n VAL 89 Ca -0.30 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 2vhn n VAL 89 Cb 1.07 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.85 2vhn n VAL 89 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2vhn n GLU 90 N -1.29 0.95 -2.69 1.45 0.28 -1.26 -5.11 120.64 112.97 2vhn n GLU 90 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 2vhn n GLU 90 Cb 0.00 0.00 0.08 0.00 1.43 0.00 0.00 31.44 32.95 2vhn n GLU 90 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 2vhn n TYR 91 N 0.00 -1.82 0.00 -1.84 4.11 -1.25 -4.35 117.16 112.01 2vhn n TYR 91 Ca 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 57.90 56.37 2vhn n TYR 91 Cb 0.00 1.46 0.00 0.00 -0.00 0.00 0.00 39.34 40.80 2vhn n TYR 91 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.86 178.73 2vhn n TRP 92 N -0.09 -1.14 0.00 -3.48 -0.00 -1.25 -3.65 117.44 107.83 2vhn n TRP 92 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.45 2vhn n TRP 92 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.06 2vhn n TRP 92 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2vhn n VAL 93 N -1.94 0.00 -2.68 5.87 0.31 -1.23 -0.94 118.33 117.72 2vhn n VAL 93 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 2vhn n VAL 93 Cb 0.00 -0.02 0.02 0.00 -0.91 0.00 0.00 33.84 32.93 2vhn n VAL 93 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vhn n ALA 94 N -0.35 -0.64 -2.10 3.52 0.00 -1.26 -4.77 120.51 114.91 2vhn n ALA 94 Ca 0.00 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.38 2vhn n ALA 94 Cb 0.01 -2.66 0.03 0.00 0.00 0.00 0.00 19.45 16.84 2vhn n ALA 94 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2vhn s LEU 95 N -4.78 3.27 0.00 0.00 2.34 -1.26 -5.03 118.68 113.23 2vhn s LEU 95 Ca 0.17 0.52 0.00 0.00 0.06 0.00 0.00 54.13 54.87 2vhn s LEU 95 Cb -0.07 -3.34 0.00 0.00 -0.56 0.00 0.00 46.19 42.22 2vhn s LEU 95 CO 0.21 -1.07 0.00 -0.38 -1.06 0.00 0.00 176.35 174.05 2vhn n ILE 96 N -2.50 0.00 -2.57 1.48 5.41 -1.26 -3.17 119.36 116.75 2vhn n ILE 96 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.79 2vhn n ILE 96 Cb 0.58 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.55 2vhn n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2vhn n GLN 97 N -1.66 0.91 -3.93 0.38 3.00 -1.26 -3.52 117.38 111.30 2vhn n GLN 97 Ca 0.00 -2.15 -0.21 0.00 -0.01 0.00 0.00 57.00 54.62 2vhn n GLN 97 Cb 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 30.24 29.86 2vhn n GLN 97 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 2vhn s PRO 98 N -1.26 3.44 0.55 -1.09 0.02 -1.26 -4.58 135.00 130.82 2vhn s PRO 98 Ca 0.20 -0.73 -0.17 0.00 0.02 0.00 0.00 61.00 60.32 2vhn s PRO 98 Cb 0.31 -2.88 -0.06 0.00 0.02 0.00 0.00 34.50 31.90 2vhn s PRO 98 CO -0.09 0.41 1.04 0.20 -0.33 0.00 0.00 177.00 178.23 2vhn s GLY 99 N -3.96 2.23 -0.36 0.52 0.00 -1.26 -2.54 107.32 101.96 2vhn s GLY 99 Ca 0.34 0.42 0.14 0.00 0.00 0.00 0.00 44.72 45.63 2vhn s GLY 99 CO 0.29 0.73 1.10 0.28 0.00 0.00 0.00 173.10 175.51 2vhn n LYS 100 N -1.62 1.15 0.13 2.90 4.01 -0.73 -4.68 118.16 119.33 2vhn n LYS 100 Ca 0.08 -2.67 0.00 0.00 -0.51 0.00 0.00 58.31 55.21 2vhn n LYS 100 Cb 0.53 -0.79 0.00 0.00 -0.51 0.00 0.00 35.03 34.26 2vhn n LYS 100 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2vhn n VAL 101 N -0.24 0.00 -1.15 -0.18 0.31 -1.26 -4.71 118.33 111.10 2vhn n VAL 101 Ca 0.05 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.52 2vhn n VAL 101 Cb 0.82 -0.02 -0.07 0.00 -0.91 0.00 0.00 33.84 33.66 2vhn n VAL 101 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2vhn n LEU 102 N -3.05 -0.80 -3.63 7.52 4.32 -1.20 -3.54 117.00 116.63 2vhn n LEU 102 Ca 0.00 1.86 -0.07 0.00 -0.02 0.00 0.00 56.01 57.78 2vhn n LEU 102 Cb 0.00 -2.73 -0.08 0.00 -1.62 0.00 0.00 43.42 38.99 2vhn n LEU 102 CO 0.00 -1.86 0.07 -0.31 -1.22 0.00 0.00 177.39 174.07 2vhn s TYR 103 N -3.80 -0.93 -2.48 -1.77 2.02 0.18 -4.63 117.35 105.94 2vhn s TYR 103 Ca 0.00 1.66 0.26 0.00 -0.37 0.00 0.00 57.07 58.62 2vhn s TYR 103 Cb 0.00 0.40 0.94 0.00 -0.40 0.00 0.00 41.96 42.90 2vhn s TYR 103 CO 0.00 -0.54 1.68 0.39 -1.57 0.00 0.00 175.55 175.51 2vhn n GLU 104 N 5.40 1.72 -0.41 -0.62 1.02 -0.55 -0.26 120.64 126.95 2vhn n GLU 104 Ca -0.09 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 2vhn n GLU 104 Cb 0.49 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2vhn n GLU 104 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2vhn n MET 105 N 0.28 3.24 -3.94 3.49 1.56 -1.26 -4.57 117.12 115.91 2vhn n MET 105 Ca 0.18 0.00 -0.24 0.00 -0.27 0.00 0.00 57.70 57.37 2vhn n MET 105 Cb 0.37 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.69 2vhn n MET 105 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2vhn n ASP 106 N -0.37 2.99 0.00 6.12 8.00 -1.26 -4.90 116.55 127.12 2vhn n ASP 106 Ca 0.00 -2.66 0.00 0.00 0.71 0.00 0.00 54.79 52.84 2vhn n ASP 106 Cb 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 2vhn n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vhn n GLY 107 N 0.37 0.95 3.55 0.44 0.00 -1.26 -4.80 105.19 104.45 2vhn n GLY 107 Ca -0.14 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 2vhn n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vhn s VAL 108 N -1.75 3.35 0.07 1.61 -7.23 -1.26 -4.89 120.40 110.31 2vhn s VAL 108 Ca 0.00 -0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 59.86 2vhn s VAL 108 Cb 0.00 -3.86 -0.14 0.00 0.56 0.00 0.00 36.38 32.94 2vhn s VAL 108 CO 0.00 -0.82 1.46 -0.65 -0.31 0.00 0.00 175.10 174.77 2vhn h PRO 109 N 13.96 -0.77 -0.54 4.82 0.11 -1.93 -2.88 132.00 144.77 2vhn h PRO 109 Ca -0.13 0.05 0.11 0.00 0.11 0.00 0.00 66.00 66.14 2vhn h PRO 109 Cb 1.11 0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.29 2vhn h PRO 109 CO 1.20 -0.51 -0.21 0.93 -0.21 0.00 0.00 178.00 179.20 2vhn h GLU 110 N -0.79 -0.08 0.00 1.05 5.08 -1.90 0.66 114.58 118.60 2vhn h GLU 110 Ca -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2vhn h GLU 110 Cb 0.71 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2vhn h GLU 110 CO -0.09 -0.05 0.00 -1.91 -1.00 0.00 0.00 179.01 175.96 2vhn n GLU 111 N -5.41 0.10 0.08 2.33 2.13 -1.09 -3.33 120.64 115.44 2vhn n GLU 111 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2vhn n GLU 111 Cb 0.32 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 30.99 2vhn n GLU 111 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2vhn n LEU 112 N -0.54 0.58 -2.30 4.31 4.77 0.21 -4.86 117.00 119.18 2vhn n LEU 112 Ca 0.00 0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 2vhn n LEU 112 Cb 0.00 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 2vhn n LEU 112 CO 0.00 -0.75 1.55 0.00 -1.33 0.00 0.00 177.39 176.86 2vhn n ALA 113 N -3.42 6.28 -0.56 -1.18 0.00 -0.04 -3.46 120.51 118.13 2vhn n ALA 113 Ca 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 50.86 2vhn n ALA 113 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2vhn n ALA 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2vhn n ARG 114 N 1.25 0.00 0.00 0.00 0.00 -1.22 -4.74 116.66 111.95 2vhn n ARG 114 Ca 0.45 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.40 2vhn n ARG 114 Cb 0.64 -0.10 0.55 0.00 0.00 0.00 0.00 32.46 33.55 2vhn n ARG 114 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2vhn n GLU 115 N 0.00 0.49 -0.00 -0.14 4.71 -1.22 -2.73 120.64 121.75 2vhn n GLU 115 Ca 0.00 0.04 0.05 0.00 -0.01 0.00 0.00 57.16 57.24 2vhn n GLU 115 Cb 0.07 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 28.93 2vhn n GLU 115 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2vhn n ALA 116 N -1.10 2.65 -0.27 0.62 0.00 -1.26 -4.54 120.51 116.61 2vhn n ALA 116 Ca 0.13 -0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.36 2vhn n ALA 116 Cb 0.10 -0.34 0.13 0.00 0.00 0.00 0.00 19.45 19.34 2vhn n ALA 116 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2vhn h PHE 117 N 0.00 -0.22 0.00 0.00 3.57 -1.83 0.74 116.94 119.19 2vhn h PHE 117 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2vhn h PHE 117 Cb 0.37 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2vhn h PHE 117 CO 0.00 -0.29 0.00 1.17 -2.23 0.00 0.00 178.31 176.96 2vhn n LYS 118 N -5.43 0.03 -0.25 1.11 3.00 -1.26 0.17 118.16 115.53 2vhn n LYS 118 Ca 0.13 0.32 0.12 0.00 -0.00 0.00 0.00 58.31 58.88 2vhn n LYS 118 Cb 0.45 -1.50 0.26 0.00 0.00 0.00 0.00 35.03 34.24 2vhn n LYS 118 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2vhn n LEU 119 N -1.43 3.49 -4.42 3.14 7.99 0.25 -4.90 117.00 121.12 2vhn n LEU 119 Ca 0.02 -1.60 -0.33 0.00 -0.01 0.00 0.00 56.01 54.09 2vhn n LEU 119 Cb 0.08 -0.33 -0.14 0.00 -0.11 0.00 0.00 43.42 42.92 2vhn n LEU 119 CO 0.06 0.80 -0.46 0.00 -1.51 0.00 0.00 177.39 176.29 2vhn s ALA 120 N -1.34 2.62 -0.52 -1.18 0.00 0.44 -4.54 121.76 117.24 2vhn s ALA 120 Ca 0.42 -0.95 0.24 0.00 0.00 0.00 0.00 51.96 51.67 2vhn s ALA 120 Cb 0.23 -1.04 0.47 0.00 0.00 0.00 0.00 23.12 22.78 2vhn s ALA 120 CO 0.32 0.43 1.66 0.00 0.00 0.00 0.00 175.76 178.16 2vhn h ALA 121 N 5.90 1.00 -3.99 0.00 0.00 -1.87 -3.45 119.26 116.86 2vhn h ALA 121 Ca -0.38 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 2vhn h ALA 121 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2vhn h ALA 121 CO 0.52 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2vhn n ALA 122 N -2.02 0.06 -2.50 0.00 0.00 -1.26 -4.98 120.51 109.81 2vhn n ALA 122 Ca 0.04 -0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 2vhn n ALA 122 Cb 0.50 0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 2vhn n ALA 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2vhn s LYS 123 N -2.43 1.80 -0.29 0.00 1.02 -1.20 -5.00 119.74 113.63 2vhn s LYS 123 Ca 0.05 -1.64 -0.16 0.00 0.02 0.00 0.00 55.97 54.25 2vhn s LYS 123 Cb -0.00 -1.88 0.17 0.00 -0.52 0.00 0.00 37.83 35.60 2vhn s LYS 123 CO 0.04 0.35 1.09 -0.48 -0.92 0.00 0.00 175.35 175.43 2vhn s LEU 124 N -3.38 -0.34 0.52 3.17 2.34 -1.26 0.20 118.68 119.92 2vhn s LEU 124 Ca 0.29 0.53 0.02 0.00 0.06 0.00 0.00 54.13 55.03 2vhn s LEU 124 Cb -0.06 1.47 0.03 0.00 -0.56 0.00 0.00 46.19 47.07 2vhn s LEU 124 CO 0.15 -0.08 0.73 -2.84 -1.06 0.00 0.00 176.35 173.25 2vhn s PRO 125 N 1.44 2.63 0.00 1.48 0.02 -1.24 -5.00 135.00 134.33 2vhn s PRO 125 Ca -0.07 -0.84 0.06 0.00 0.02 0.00 0.00 61.00 60.17 2vhn s PRO 125 Cb -0.03 -2.54 0.32 0.00 0.02 0.00 0.00 34.50 32.27 2vhn s PRO 125 CO -0.14 -0.60 1.07 0.44 -0.33 0.00 0.00 177.00 177.44 2vhn n ILE 126 N -2.24 0.96 0.00 2.83 -5.35 -1.26 -3.89 119.36 110.41 2vhn n ILE 126 Ca 0.07 0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.79 2vhn n ILE 126 Cb 0.59 -1.13 0.00 0.00 -1.74 0.00 0.00 39.64 37.36 2vhn n ILE 126 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2vhn n LYS 127 N -1.30 0.00 0.00 6.28 0.00 -1.26 -4.60 118.16 117.28 2vhn n LYS 127 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 2vhn n LYS 127 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.08 2vhn n LYS 127 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2vhn n THR 128 N 0.00 0.00 -2.55 3.15 -2.24 -1.26 -3.15 114.28 108.23 2vhn n THR 128 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2vhn n THR 128 Cb 0.00 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.31 2vhn n THR 128 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2vhn n THR 129 N 0.00 0.00 -1.69 4.28 5.66 -1.26 -2.89 114.28 118.38 2vhn n THR 129 Ca 0.00 -1.10 -0.64 0.00 -3.05 0.00 0.00 64.05 59.26 2vhn n THR 129 Cb 0.00 -1.01 -0.09 0.00 -1.55 0.00 0.00 70.33 67.68 2vhn n THR 129 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2vhn n PHE 130 N -2.34 1.58 -3.24 1.09 -0.00 -1.26 -4.84 117.46 108.45 2vhn n PHE 130 Ca 0.11 1.00 -0.46 0.00 -0.00 0.00 0.00 57.45 58.10 2vhn n PHE 130 Cb 0.40 -2.25 -0.01 0.00 -0.00 0.00 0.00 39.48 37.62 2vhn n PHE 130 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 2vhn s VAL 131 N 2.38 5.56 -0.05 -2.13 1.01 -1.26 -4.52 120.40 121.39 2vhn s VAL 131 Ca 1.00 -2.64 0.18 0.00 0.00 0.00 0.00 61.98 60.51 2vhn s VAL 131 Cb -1.35 -4.59 0.34 0.00 0.00 0.00 0.00 36.38 30.78 2vhn s VAL 131 CO 0.72 -1.19 1.15 1.07 0.00 0.00 0.00 175.10 176.85 2vhn n THR 132 N 3.86 0.54 0.00 3.92 5.66 -1.26 -5.03 114.28 121.97 2vhn n THR 132 Ca 0.20 -1.32 0.00 0.00 -3.05 0.00 0.00 64.05 59.89 2vhn n THR 132 Cb 0.45 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.82 2vhn n THR 132 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2vhn n LYS 133 N -0.03 0.00 -3.52 1.09 0.00 -1.26 -5.21 118.16 109.23 2vhn n LYS 133 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.39 2vhn n LYS 133 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.97 2vhn n LYS 133 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2vhn n THR 134 N 0.00 0.00 -1.36 3.15 -2.24 -1.26 -5.17 114.28 107.39 2vhn n THR 134 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2vhn n THR 134 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2vhn n THR 134 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2vhn n VAL 135 N 6.65 0.00 -0.82 2.28 0.31 -1.26 -5.12 118.33 120.37 2vhn n VAL 135 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2vhn n VAL 135 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2vhn n VAL 135 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31