#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlr s LEU 4 N 0.00 1.81 -0.08 1.08 1.43 -1.26 -5.03 118.68 116.62 2vlr s LEU 4 Ca 0.00 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2vlr s LEU 4 Cb 0.00 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.89 2vlr s LEU 4 CO 0.00 0.03 -0.21 -0.76 0.23 0.00 0.00 176.35 175.64 2vlr s LEU 5 N 0.16 1.99 -0.14 1.79 1.43 -1.26 -4.53 118.68 118.12 2vlr s LEU 5 Ca -0.02 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2vlr s LEU 5 Cb -0.06 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.90 2vlr s LEU 5 CO -0.00 0.14 -0.16 -0.70 0.23 0.00 0.00 176.35 175.86 2vlr s GLU 6 N 0.33 3.22 -0.14 1.70 2.12 -0.81 -4.33 118.70 120.79 2vlr s GLU 6 Ca -0.15 -0.76 -0.06 0.00 0.36 0.00 0.00 54.97 54.36 2vlr s GLU 6 Cb -0.17 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 2vlr s GLU 6 CO 0.07 0.07 0.07 -0.65 -0.54 0.00 0.00 175.26 174.28 2vlr s GLN 7 N 0.68 3.60 -0.04 4.30 -0.21 -1.26 -1.44 119.66 125.29 2vlr s GLN 7 Ca -0.08 -0.29 -0.03 0.00 0.02 0.00 0.00 55.36 54.98 2vlr s GLN 7 Cb -0.16 -3.12 0.02 0.00 1.00 0.00 0.00 33.01 30.75 2vlr s GLN 7 CO 0.02 0.52 0.10 0.45 -2.12 0.00 0.00 175.29 174.26 2vlr s SER 8 N -0.32 -0.10 0.67 5.90 0.15 -0.91 -4.51 113.70 114.59 2vlr s SER 8 Ca 0.09 0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.84 2vlr s SER 8 Cb -0.12 0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.37 2vlr s SER 8 CO 0.02 -0.06 1.07 -2.16 1.20 0.00 0.00 173.24 173.30 2vlr s PRO 9 N 0.30 3.13 0.19 5.44 0.04 -1.26 -0.90 135.00 141.93 2vlr s PRO 9 Ca -0.02 0.64 -0.03 0.00 0.04 0.00 0.00 61.00 61.63 2vlr s PRO 9 Cb -0.03 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.58 2vlr s PRO 9 CO -0.01 -0.88 1.50 1.96 0.04 0.00 0.00 177.00 179.61 2vlr h GLN 10 N -0.55 0.54 -4.50 4.56 4.20 -1.82 -3.40 115.11 114.14 2vlr h GLN 10 Ca -0.45 -0.35 -0.33 0.00 0.06 0.00 0.00 58.65 57.59 2vlr h GLN 10 Cb 1.22 0.04 -0.26 0.00 0.30 0.00 0.00 27.48 28.79 2vlr h GLN 10 CO 0.62 0.96 -0.75 -0.06 -0.67 0.00 0.00 178.83 178.92 2vlr s PHE 11 N -3.96 0.62 -0.08 2.96 0.40 -1.26 -1.53 117.98 115.12 2vlr s PHE 11 Ca -0.07 -0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 55.96 2vlr s PHE 11 Cb 0.11 -0.38 0.03 0.00 0.51 0.00 0.00 43.02 43.29 2vlr s PHE 11 CO 0.84 -0.03 0.21 -1.17 0.70 0.00 0.00 175.22 175.77 2vlr s LEU 12 N -0.64 0.89 -0.09 -0.37 2.96 -0.49 -4.95 118.68 116.00 2vlr s LEU 12 Ca -0.01 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 2vlr s LEU 12 Cb -0.05 0.67 0.02 0.00 0.50 0.00 0.00 46.19 47.33 2vlr s LEU 12 CO 0.00 -0.11 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.30 2vlr s SER 13 N 0.62 1.82 0.27 3.68 0.15 -1.26 -1.04 113.70 117.94 2vlr s SER 13 Ca -0.04 -0.24 -0.06 0.00 0.70 0.00 0.00 55.95 56.30 2vlr s SER 13 Cb -0.06 -0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 63.52 2vlr s SER 13 CO -0.03 -0.09 0.40 0.27 1.20 0.00 0.00 173.24 174.99 2vlr s ILE 14 N 1.40 0.00 0.01 6.45 -5.25 -0.59 -5.00 121.20 118.22 2vlr s ILE 14 Ca -0.02 -1.61 -0.09 0.00 -0.99 0.00 0.00 60.65 57.95 2vlr s ILE 14 Cb -0.13 -2.43 -0.05 0.00 2.95 0.00 0.00 42.46 42.80 2vlr s ILE 14 CO -0.04 0.00 0.32 -1.10 -1.79 0.00 0.00 174.94 172.33 2vlr s GLN 15 N -3.70 3.67 -0.02 0.37 -1.52 -1.26 -0.51 119.66 116.69 2vlr s GLN 15 Ca 0.29 0.07 -0.37 0.00 -1.95 0.00 0.00 55.36 53.40 2vlr s GLN 15 Cb 0.01 -3.09 -0.18 0.00 -0.22 0.00 0.00 33.01 29.53 2vlr s GLN 15 CO 0.14 0.64 0.99 -1.91 -0.25 0.00 0.00 175.29 174.91 2vlr n GLU 16 N 1.26 0.00 0.00 2.91 2.13 -0.86 -1.80 120.64 124.29 2vlr n GLU 16 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 2vlr n GLU 16 Cb 0.53 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.88 2vlr n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vlr n GLY 17 N 1.48 1.91 3.79 8.31 0.00 -0.02 -4.93 105.19 115.72 2vlr n GLY 17 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2vlr n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vlr s GLU 18 N -0.80 3.22 -0.02 1.61 2.02 -0.74 -4.39 118.70 119.60 2vlr s GLU 18 Ca 0.00 1.28 0.01 0.00 0.02 0.00 0.00 54.97 56.28 2vlr s GLU 18 Cb 0.00 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 2vlr s GLU 18 CO 0.00 -0.90 0.01 -0.80 0.02 0.00 0.00 175.26 173.59 2vlr s ASN 19 N -2.63 5.22 -0.08 -0.19 0.01 -1.26 -1.04 114.94 114.98 2vlr s ASN 19 Ca 0.65 0.04 -0.18 0.00 -0.71 0.00 0.00 52.86 52.66 2vlr s ASN 19 Cb -0.18 -1.40 0.04 0.00 0.41 0.00 0.00 41.25 40.12 2vlr s ASN 19 CO 0.36 0.30 0.43 -1.48 -1.51 0.00 0.00 177.10 175.20 2vlr s LEU 20 N -1.46 0.38 -0.03 0.60 0.05 -0.92 -5.01 118.68 112.29 2vlr s LEU 20 Ca 0.19 0.50 0.06 0.00 0.05 0.00 0.00 54.13 54.93 2vlr s LEU 20 Cb -0.12 1.59 -0.01 0.00 -2.05 0.00 0.00 46.19 45.60 2vlr s LEU 20 CO 0.09 -0.37 -0.21 -0.89 -0.55 0.00 0.00 176.35 174.43 2vlr s THR 21 N -0.72 1.69 0.14 5.48 2.01 -1.26 -0.31 115.64 122.68 2vlr s THR 21 Ca -0.08 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.11 2vlr s THR 21 Cb -0.04 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 2vlr s THR 21 CO 0.04 0.48 -0.20 0.68 -0.69 0.00 0.00 174.62 174.93 2vlr s VAL 22 N -0.33 1.83 0.12 3.82 -7.23 -0.63 -4.89 120.40 113.09 2vlr s VAL 22 Ca 0.04 -1.79 0.10 0.00 -1.81 0.00 0.00 61.98 58.52 2vlr s VAL 22 Cb -0.10 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2vlr s VAL 22 CO 0.01 -0.21 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.03 2vlr s TYR 23 N -1.70 2.18 -0.11 2.82 1.51 -0.08 -1.99 117.35 119.98 2vlr s TYR 23 Ca 0.13 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2vlr s TYR 23 Cb -0.07 -1.19 0.05 0.00 -0.11 0.00 0.00 41.96 40.64 2vlr s TYR 23 CO 0.06 0.30 0.07 0.00 -1.11 0.00 0.00 175.55 174.87 2vlr s ASN 25 N 2.15 1.71 0.24 0.00 -0.87 -0.52 -1.52 114.94 116.12 2vlr s ASN 25 Ca 0.03 -0.51 0.01 0.00 -1.57 0.00 0.00 52.86 50.82 2vlr s ASN 25 Cb -0.14 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.25 40.96 2vlr s ASN 25 CO -0.06 0.00 0.16 -0.55 -2.57 0.00 0.00 177.10 174.08 2vlr s SER 26 N -1.34 0.64 0.00 -1.22 0.15 0.69 -1.92 113.70 110.71 2vlr s SER 26 Ca 0.01 -1.48 0.19 0.00 0.70 0.00 0.00 55.95 55.37 2vlr s SER 26 Cb -0.09 0.41 -0.20 0.00 -1.71 0.00 0.00 66.02 64.44 2vlr s SER 26 CO 0.02 -0.89 0.85 -0.24 1.20 0.00 0.00 173.24 174.18 2vlr n SER 27 N -0.61 1.01 -4.36 5.45 2.88 -1.26 -4.74 113.62 111.98 2vlr n SER 27 Ca 0.03 -1.00 -0.19 0.00 -1.33 0.00 0.00 58.87 56.38 2vlr n SER 27 Cb 0.65 0.96 -0.10 0.00 -0.75 0.00 0.00 64.21 64.97 2vlr n SER 27 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2vlr s SER 28 N -2.80 2.54 0.04 -3.46 1.04 -1.26 -5.08 113.70 104.72 2vlr s SER 28 Ca 0.08 -1.08 -0.25 0.00 0.48 0.00 0.00 55.95 55.18 2vlr s SER 28 Cb 0.15 -0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 2vlr s SER 28 CO 0.78 -0.25 0.77 -0.69 0.98 0.00 0.00 173.24 174.83 2vlr s VAL 29 N -3.03 4.74 -0.17 5.02 1.01 -1.26 -4.44 120.40 122.27 2vlr s VAL 29 Ca 0.25 1.64 -0.05 0.00 0.00 0.00 0.00 61.98 63.82 2vlr s VAL 29 Cb 0.01 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2vlr s VAL 29 CO 0.08 0.35 0.01 -0.36 0.00 0.00 0.00 175.10 175.18 2vlr s PHE 30 N 0.01 3.11 0.29 5.22 0.40 -0.70 -5.02 117.98 121.29 2vlr s PHE 30 Ca 0.39 -0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.54 2vlr s PHE 30 Cb -0.20 -2.02 0.43 0.00 0.51 0.00 0.00 43.02 41.73 2vlr s PHE 30 CO 0.23 0.01 1.85 0.66 0.70 0.00 0.00 175.22 178.67 2vlr h SER 31 N 6.82 0.77 -5.05 1.36 4.64 -1.88 -3.46 113.55 116.74 2vlr h SER 31 Ca -0.34 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 60.78 2vlr h SER 31 Cb 1.18 -0.20 -0.16 0.00 -0.31 0.00 0.00 62.40 62.91 2vlr h SER 31 CO 0.65 0.73 -0.17 -0.94 -0.87 0.00 0.00 176.83 176.23 2vlr s SER 32 N -6.56 -0.20 -0.02 4.97 1.04 -1.26 -4.73 113.70 106.94 2vlr s SER 32 Ca -0.10 -0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.13 2vlr s SER 32 Cb 0.16 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.69 2vlr s SER 32 CO 0.80 -0.67 0.13 -0.22 0.98 0.00 0.00 173.24 174.25 2vlr s LEU 33 N -2.17 1.54 0.10 2.42 0.20 -0.81 -2.06 118.68 117.91 2vlr s LEU 33 Ca -0.04 -0.02 0.09 0.00 0.69 0.00 0.00 54.13 54.85 2vlr s LEU 33 Cb -0.00 0.58 -0.04 0.00 -0.43 0.00 0.00 46.19 46.30 2vlr s LEU 33 CO -0.04 -0.24 -0.23 -1.10 -0.29 0.00 0.00 176.35 174.45 2vlr s GLN 34 N -0.80 1.22 0.08 1.98 1.11 0.12 -1.14 119.66 122.23 2vlr s GLN 34 Ca -0.09 -1.19 0.07 0.00 0.01 0.00 0.00 55.36 54.16 2vlr s GLN 34 Cb -0.05 -1.54 -0.04 0.00 -1.01 0.00 0.00 33.01 30.38 2vlr s GLN 34 CO 0.01 0.36 -0.14 -1.58 0.01 0.00 0.00 175.29 173.95 2vlr s TRP 35 N -1.10 2.64 0.08 0.91 0.52 -1.08 -1.68 118.94 119.22 2vlr s TRP 35 Ca 0.08 -0.21 0.05 0.00 0.02 0.00 0.00 56.10 56.05 2vlr s TRP 35 Cb -0.10 -1.43 -0.03 0.00 -1.15 0.00 0.00 33.47 30.76 2vlr s TRP 35 CO 0.04 0.36 -0.14 0.71 0.02 0.00 0.00 176.95 177.95 2vlr s TYR 36 N -1.09 1.21 -0.10 -1.98 1.51 -0.01 -1.26 117.35 115.64 2vlr s TYR 36 Ca 0.18 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 2vlr s TYR 36 Cb -0.11 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 2vlr s TYR 36 CO 0.10 0.06 -0.22 0.50 -1.11 0.00 0.00 175.55 174.88 2vlr s ARG 37 N -1.93 3.02 -0.05 -0.62 3.52 -0.61 -1.88 118.95 120.40 2vlr s ARG 37 Ca -0.00 -0.84 0.05 0.00 -0.13 0.00 0.00 55.73 54.81 2vlr s ARG 37 Cb -0.09 -2.35 -0.00 0.00 -1.56 0.00 0.00 34.95 30.95 2vlr s ARG 37 CO 0.02 0.24 -0.20 -1.14 -0.81 0.00 0.00 175.30 173.41 2vlr s GLN 38 N 0.22 2.11 0.13 5.12 0.74 0.10 -1.05 119.66 127.03 2vlr s GLN 38 Ca -0.14 -0.71 -0.05 0.00 0.05 0.00 0.00 55.36 54.52 2vlr s GLN 38 Cb -0.17 -1.78 -0.05 0.00 1.10 0.00 0.00 33.01 32.11 2vlr s GLN 38 CO 0.07 0.26 0.36 -1.21 -0.55 0.00 0.00 175.29 174.23 2vlr s GLU 39 N 0.05 3.62 0.19 1.67 0.41 -1.26 -1.90 118.70 121.48 2vlr s GLU 39 Ca -0.06 -0.09 -0.32 0.00 -0.41 0.00 0.00 54.97 54.10 2vlr s GLU 39 Cb -0.13 -2.88 -0.11 0.00 -1.78 0.00 0.00 34.13 29.23 2vlr s GLU 39 CO 0.03 0.49 1.62 -2.14 -0.49 0.00 0.00 175.26 174.77 2vlr s PRO 40 N -2.54 4.18 -0.49 0.39 0.02 -1.26 -2.52 135.00 132.78 2vlr s PRO 40 Ca 0.39 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2vlr s PRO 40 Cb -0.12 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2vlr s PRO 40 CO 0.24 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 2vlr n GLY 41 N 3.66 0.61 3.19 0.52 0.00 -1.26 -5.04 105.19 106.88 2vlr n GLY 41 Ca 0.14 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 2vlr n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vlr s GLU 42 N -2.85 0.95 0.21 1.61 2.02 -1.05 -5.15 118.70 114.44 2vlr s GLU 42 Ca 0.00 -1.42 -0.30 0.00 0.02 0.00 0.00 54.97 53.27 2vlr s GLU 42 Cb 0.00 -0.19 -0.09 0.00 0.10 0.00 0.00 34.13 33.96 2vlr s GLU 42 CO 0.00 -0.08 1.24 0.20 0.02 0.00 0.00 175.26 176.64 2vlr s GLY 43 N -3.09 2.66 0.53 -1.39 0.00 -1.26 -4.72 107.32 100.04 2vlr s GLY 43 Ca 0.17 1.03 -0.22 0.00 0.00 0.00 0.00 44.72 45.71 2vlr s GLY 43 CO -0.01 1.91 1.34 -1.05 0.00 0.00 0.00 173.10 175.28 2vlr n PRO 44 N 2.25 1.73 -3.96 2.90 -0.02 -1.26 -4.76 135.00 131.89 2vlr n PRO 44 Ca 0.04 0.63 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 2vlr n PRO 44 Cb 0.44 -2.54 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 2vlr n PRO 44 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vlr s VAL 45 N -1.28 4.55 -0.02 -1.45 1.01 -0.21 -4.96 120.40 118.03 2vlr s VAL 45 Ca 0.70 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 2vlr s VAL 45 Cb -0.43 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2vlr s VAL 45 CO 0.51 0.41 1.32 -0.22 0.00 0.00 0.00 175.10 177.13 2vlr s LEU 46 N 0.85 4.30 -0.27 3.92 2.96 -1.26 -1.57 118.68 127.60 2vlr s LEU 46 Ca 0.03 1.99 -0.13 0.00 -0.22 0.00 0.00 54.13 55.81 2vlr s LEU 46 Cb -0.14 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.87 2vlr s LEU 46 CO 0.02 -0.67 -0.35 0.18 -1.32 0.00 0.00 176.35 174.22 2vlr n LEU 47 N 5.33 2.01 -3.64 -0.68 4.77 -0.39 -4.97 117.00 119.44 2vlr n LEU 47 Ca 0.12 0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 56.27 2vlr n LEU 47 Cb 0.45 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.66 2vlr n LEU 47 CO 0.57 0.60 0.20 0.54 -1.33 0.00 0.00 177.39 177.97 2vlr s VAL 48 N -2.50 0.04 -0.07 4.08 0.11 -1.22 -5.01 120.40 115.82 2vlr s VAL 48 Ca -0.38 -0.35 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 2vlr s VAL 48 Cb 0.14 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 2vlr s VAL 48 CO 0.49 -0.19 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.96 2vlr s THR 49 N -2.09 2.31 0.05 5.04 2.01 -1.26 -2.62 115.64 119.08 2vlr s THR 49 Ca -0.08 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.03 2vlr s THR 49 Cb -0.01 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2vlr s THR 49 CO 0.01 0.56 -0.14 0.68 -0.69 0.00 0.00 174.62 175.04 2vlr s VAL 50 N -0.06 3.07 0.00 3.82 -7.23 -0.29 -4.98 120.40 114.73 2vlr s VAL 50 Ca -0.06 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2vlr s VAL 50 Cb -0.14 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2vlr s VAL 50 CO 0.05 0.28 0.00 0.52 -0.31 0.00 0.00 175.10 175.64 2vlr n VAL 51 N 1.32 0.00 -3.43 1.32 0.31 -1.26 -1.91 118.33 114.67 2vlr n VAL 51 Ca -0.15 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.80 2vlr n VAL 51 Cb 0.52 -0.26 -0.07 0.00 -0.91 0.00 0.00 33.84 33.12 2vlr n VAL 51 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2vlr s THR 52 N -1.51 5.24 -0.07 2.52 2.01 -1.26 -4.85 115.64 117.72 2vlr s THR 52 Ca 0.00 0.71 -0.35 0.00 0.31 0.00 0.00 61.69 62.36 2vlr s THR 52 Cb 0.00 -3.71 -0.13 0.00 0.01 0.00 0.00 72.50 68.67 2vlr s THR 52 CO 0.00 0.33 1.81 0.61 -0.69 0.00 0.00 174.62 176.68 2vlr n GLY 53 N 3.53 1.33 1.22 4.40 0.00 -1.26 -0.43 105.19 113.98 2vlr n GLY 53 Ca -0.09 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2vlr n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vlr n GLY 54 N 4.20 1.37 3.77 -0.02 0.00 -0.46 -4.78 105.19 109.27 2vlr n GLY 54 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2vlr n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2vlr s GLU 55 N -0.60 4.04 -0.06 1.61 -1.05 0.43 -4.74 118.70 118.33 2vlr s GLU 55 Ca 0.00 2.34 0.03 0.00 -0.15 0.00 0.00 54.97 57.19 2vlr s GLU 55 Cb 0.00 -2.87 -0.03 0.00 -0.44 0.00 0.00 34.13 30.79 2vlr s GLU 55 CO 0.00 -0.50 -0.13 0.08 0.95 0.00 0.00 175.26 175.67 2vlr s VAL 56 N -1.18 3.19 0.06 1.83 1.01 -1.26 -1.79 120.40 122.25 2vlr s VAL 56 Ca 0.55 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2vlr s VAL 56 Cb -0.42 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2vlr s VAL 56 CO 0.55 0.59 -0.08 -0.54 0.00 0.00 0.00 175.10 175.62 2vlr s LYS 57 N -0.65 0.63 -0.02 2.72 1.02 -0.71 -5.00 119.74 117.72 2vlr s LYS 57 Ca 0.10 -0.91 0.05 0.00 0.02 0.00 0.00 55.97 55.22 2vlr s LYS 57 Cb -0.11 -0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 36.87 2vlr s LYS 57 CO 0.01 0.05 -0.16 0.15 -0.92 0.00 0.00 175.35 174.48 2vlr s LYS 58 N -2.12 1.41 -0.20 1.68 1.02 -1.26 -1.29 119.74 118.97 2vlr s LYS 58 Ca -0.04 -0.56 -0.09 0.00 0.02 0.00 0.00 55.97 55.29 2vlr s LYS 58 Cb -0.06 -1.31 0.08 0.00 -0.52 0.00 0.00 37.83 36.01 2vlr s LYS 58 CO -0.01 0.30 0.45 -0.51 -0.92 0.00 0.00 175.35 174.67 2vlr s LEU 59 N -0.22 -0.44 0.00 3.17 2.01 -0.63 -5.02 118.68 117.55 2vlr s LEU 59 Ca 0.03 1.03 0.00 0.00 0.01 0.00 0.00 54.13 55.20 2vlr s LEU 59 Cb -0.08 1.50 0.00 0.00 0.01 0.00 0.00 46.19 47.62 2vlr s LEU 59 CO 0.00 -0.21 0.00 0.29 1.01 0.00 0.00 176.35 177.44 2vlr n LYS 60 N 4.76 0.00 -0.01 1.70 4.76 -1.26 -1.22 118.16 126.89 2vlr n LYS 60 Ca -0.17 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.41 2vlr n LYS 60 Cb 0.53 0.00 0.54 0.00 -1.84 0.00 0.00 35.03 34.26 2vlr n LYS 60 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2vlr n ARG 61 N 11.31 1.62 -4.01 1.97 1.74 -1.26 -4.96 116.66 123.07 2vlr n ARG 61 Ca 0.00 -0.90 -0.32 0.00 -0.77 0.00 0.00 57.85 55.86 2vlr n ARG 61 Cb 0.00 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 2vlr n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2vlr s LEU 62 N -1.94 4.05 -0.06 0.55 1.02 -0.36 -2.14 118.68 119.81 2vlr s LEU 62 Ca 0.38 0.15 -0.01 0.00 0.02 0.00 0.00 54.13 54.67 2vlr s LEU 62 Cb 0.21 -2.59 0.03 0.00 0.02 0.00 0.00 46.19 43.86 2vlr s LEU 62 CO 0.33 0.21 0.01 -0.89 0.02 0.00 0.00 176.35 176.03 2vlr s THR 63 N -1.37 0.26 -0.10 5.49 2.01 -0.54 -1.60 115.64 119.79 2vlr s THR 63 Ca 0.29 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.43 2vlr s THR 63 Cb -0.12 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 2vlr s THR 63 CO 0.21 0.23 0.04 -0.36 -0.69 0.00 0.00 174.62 174.06 2vlr s PHE 64 N 1.87 3.29 -0.04 4.92 0.08 -0.42 -0.36 117.98 127.33 2vlr s PHE 64 Ca 0.03 0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.39 2vlr s PHE 64 Cb -0.12 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 2vlr s PHE 64 CO -0.04 0.54 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.87 2vlr s GLN 65 N -0.90 1.16 -0.20 0.44 -1.52 -0.63 -1.75 119.66 116.26 2vlr s GLN 65 Ca 0.14 -0.32 -0.13 0.00 -1.95 0.00 0.00 55.36 53.09 2vlr s GLN 65 Cb -0.12 -1.05 -0.05 0.00 -0.22 0.00 0.00 33.01 31.58 2vlr s GLN 65 CO 0.03 0.08 0.27 0.12 -0.25 0.00 0.00 175.29 175.54 2vlr s PHE 66 N 0.38 3.39 0.87 0.91 5.36 -0.74 -1.35 117.98 126.79 2vlr s PHE 66 Ca -0.07 0.47 -0.12 0.00 -0.96 0.00 0.00 56.93 56.25 2vlr s PHE 66 Cb -0.11 -2.36 0.12 0.00 -0.34 0.00 0.00 43.02 40.33 2vlr s PHE 66 CO 0.01 0.12 1.17 0.41 -1.46 0.00 0.00 175.22 175.47 2vlr n GLY 67 N 3.83 -0.22 0.34 13.12 0.00 -0.52 -1.36 105.19 120.38 2vlr n GLY 67 Ca -0.12 -0.61 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 2vlr n GLY 67 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vlr h ASP 68 N -1.42 0.98 -0.23 1.61 3.32 -1.91 -1.80 116.42 116.97 2vlr h ASP 68 Ca -0.45 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2vlr h ASP 68 Cb 1.28 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2vlr h ASP 68 CO 0.43 0.82 0.00 0.00 -1.72 0.00 0.00 179.24 178.77 2vlr n ALA 69 N -2.43 2.49 -2.38 3.45 0.00 -1.26 -4.56 120.51 115.82 2vlr n ALA 69 Ca 0.07 -0.49 -0.21 0.00 0.00 0.00 0.00 53.44 52.81 2vlr n ALA 69 Cb 0.13 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 2vlr n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2vlr n ARG 70 N 0.27 -1.65 -0.00 0.00 1.74 -0.69 -4.80 116.66 111.54 2vlr n ARG 70 Ca 0.13 1.00 0.04 0.00 -0.77 0.00 0.00 57.85 58.25 2vlr n ARG 70 Cb 0.27 -5.65 -0.05 0.00 -1.02 0.00 0.00 32.46 26.01 2vlr n ARG 70 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2vlr n LYS 71 N -2.98 4.14 -3.98 5.56 5.02 -1.26 -1.72 118.16 122.95 2vlr n LYS 71 Ca -0.25 -0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 55.95 2vlr n LYS 71 Cb 0.69 -0.90 -0.07 0.00 -0.02 0.00 0.00 35.03 34.73 2vlr n LYS 71 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2vlr s ASP 72 N -1.82 0.03 0.03 4.39 -4.77 -1.26 -0.22 116.67 113.05 2vlr s ASP 72 Ca 0.03 -0.91 -0.15 0.00 -3.30 0.00 0.00 52.55 48.22 2vlr s ASP 72 Cb 0.06 0.45 0.02 0.00 -1.09 0.00 0.00 42.92 42.37 2vlr s ASP 72 CO 0.33 -0.92 0.32 -0.55 0.70 0.00 0.00 175.17 175.05 2vlr s SER 73 N -2.99 -0.16 0.13 2.11 0.15 -0.58 -1.44 113.70 110.92 2vlr s SER 73 Ca 0.19 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.82 2vlr s SER 73 Cb 0.03 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 2vlr s SER 73 CO 0.02 -0.58 -0.17 -0.94 1.20 0.00 0.00 173.24 172.77 2vlr s SER 74 N -1.87 2.31 -0.23 5.45 1.04 -0.46 -2.03 113.70 117.91 2vlr s SER 74 Ca -0.07 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.59 2vlr s SER 74 Cb -0.02 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.04 2vlr s SER 74 CO -0.01 -0.06 -0.09 -0.22 0.98 0.00 0.00 173.24 173.84 2vlr s LEU 75 N -2.33 2.70 -0.20 2.42 0.20 -0.84 -1.61 118.68 119.01 2vlr s LEU 75 Ca 0.10 -1.11 -0.10 0.00 0.69 0.00 0.00 54.13 53.71 2vlr s LEU 75 Cb -0.07 -1.32 -0.05 0.00 -0.43 0.00 0.00 46.19 44.32 2vlr s LEU 75 CO 0.04 -0.18 0.12 -2.28 -0.29 0.00 0.00 176.35 173.77 2vlr s HIS 76 N 1.31 3.37 -0.22 5.38 5.65 0.52 -1.60 115.29 129.68 2vlr s HIS 76 Ca -0.05 0.27 -0.07 0.00 0.25 0.00 0.00 55.06 55.46 2vlr s HIS 76 Cb -0.18 -2.16 -0.03 0.00 -1.18 0.00 0.00 32.58 29.03 2vlr s HIS 76 CO -0.07 0.23 0.05 0.42 -0.65 0.00 0.00 174.74 174.72 2vlr s ILE 77 N 0.47 4.31 -0.17 0.89 1.01 0.58 -1.47 121.20 126.82 2vlr s ILE 77 Ca 0.07 -0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.37 2vlr s ILE 77 Cb -0.12 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 2vlr s ILE 77 CO -0.01 0.38 0.43 -0.89 0.00 0.00 0.00 174.94 174.86 2vlr s THR 78 N 1.23 5.19 -1.00 2.92 2.01 -0.91 -2.15 115.64 122.93 2vlr s THR 78 Ca 0.04 0.81 -0.11 0.00 0.31 0.00 0.00 61.69 62.74 2vlr s THR 78 Cb -0.14 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2vlr s THR 78 CO 0.03 0.27 0.78 0.00 -0.69 0.00 0.00 174.62 175.01 2vlr n ALA 79 N 4.21 -2.56 -1.12 7.40 0.00 -1.22 -4.89 120.51 122.33 2vlr n ALA 79 Ca -0.08 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 2vlr n ALA 79 Cb 0.51 -3.59 0.09 0.00 0.00 0.00 0.00 19.45 16.46 2vlr n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vlr n ALA 80 N -3.31 -1.74 -2.68 0.00 0.00 -0.20 -4.46 120.51 108.12 2vlr n ALA 80 Ca -0.09 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 2vlr n ALA 80 Cb 0.59 -1.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 2vlr n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2vlr s GLN 81 N -3.10 1.38 0.13 0.00 -0.21 -1.26 -0.84 119.66 115.75 2vlr s GLN 81 Ca 0.63 -1.45 -0.23 0.00 0.02 0.00 0.00 55.36 54.33 2vlr s GLN 81 Cb -0.30 0.37 -0.03 0.00 1.00 0.00 0.00 33.01 34.04 2vlr s GLN 81 CO 0.60 -0.52 1.67 -1.35 -2.12 0.00 0.00 175.29 173.57 2vlr h PRO 82 N 2.44 -0.21 -0.42 2.91 0.11 -1.96 -2.27 132.00 132.60 2vlr h PRO 82 Ca -0.31 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2vlr h PRO 82 Cb 1.25 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2vlr h PRO 82 CO 0.44 -0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.50 2vlr n GLY 83 N -1.30 0.51 0.01 -0.55 0.00 -1.26 -2.38 105.19 100.22 2vlr n GLY 83 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 2vlr n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vlr n ASP 84 N 0.06 0.28 -4.66 1.61 8.00 -0.85 -5.00 116.55 115.99 2vlr n ASP 84 Ca 0.00 -0.28 -0.45 0.00 0.71 0.00 0.00 54.79 54.78 2vlr n ASP 84 Cb 0.11 1.72 -0.02 0.00 -0.02 0.00 0.00 41.12 42.90 2vlr n ASP 84 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2vlr n THR 85 N -2.05 1.16 -1.76 -3.53 -1.04 -1.00 -4.93 114.28 101.14 2vlr n THR 85 Ca -0.02 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2vlr n THR 85 Cb 0.50 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 2vlr n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2vlr n GLY 86 N 1.88 -2.03 3.61 3.41 0.00 -0.83 -4.92 105.19 106.32 2vlr n GLY 86 Ca 0.11 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 2vlr n GLY 86 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vlr s LEU 87 N 0.00 4.05 -0.27 0.99 2.96 -0.80 -1.26 118.68 124.35 2vlr s LEU 87 Ca 0.00 0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.89 2vlr s LEU 87 Cb 0.00 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 2vlr s LEU 87 CO 0.00 -0.04 0.12 -0.31 -1.32 0.00 0.00 176.35 174.80 2vlr s TYR 88 N 1.63 3.14 -0.08 5.38 1.51 -0.70 -0.72 117.35 127.51 2vlr s TYR 88 Ca 0.08 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2vlr s TYR 88 Cb -0.15 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.37 2vlr s TYR 88 CO 0.09 -0.35 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.53 2vlr s LEU 89 N 1.64 2.66 0.10 -1.29 1.43 -0.79 -1.87 118.68 120.57 2vlr s LEU 89 Ca 0.06 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2vlr s LEU 89 Cb -0.16 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2vlr s LEU 89 CO 0.06 0.26 0.16 0.00 0.23 0.00 0.00 176.35 177.07 2vlr s ALA 91 N -1.55 -0.57 0.10 0.00 0.00 -0.68 -1.47 121.76 117.59 2vlr s ALA 91 Ca 0.32 0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2vlr s ALA 91 Cb -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2vlr s ALA 91 CO 0.25 -0.14 -0.15 0.20 0.00 0.00 0.00 175.76 175.92 2vlr s GLY 92 N -0.22 1.00 -0.08 0.00 0.00 0.27 -0.70 107.32 107.59 2vlr s GLY 92 Ca -0.03 -1.15 -0.38 0.00 0.00 0.00 0.00 44.72 43.16 2vlr s GLY 92 CO 0.01 -1.18 1.58 0.00 0.00 0.00 0.00 173.10 173.50 2vlr n ALA 93 N 0.96 -0.32 -2.80 3.20 0.00 -0.87 -0.22 120.51 120.46 2vlr n ALA 93 Ca -0.19 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.32 2vlr n ALA 93 Cb 0.55 -2.20 -0.07 0.00 0.00 0.00 0.00 19.45 17.74 2vlr n ALA 93 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2vlr s GLY 94 N 2.12 2.17 0.33 0.00 0.00 0.75 -4.80 107.32 107.89 2vlr s GLY 94 Ca 0.91 -0.60 0.26 0.00 0.00 0.00 0.00 44.72 45.29 2vlr s GLY 94 CO 0.55 -0.16 1.77 1.48 0.00 0.00 0.00 173.10 176.74 2vlr h SER 95 N 5.45 0.00 -0.61 1.64 4.64 -1.94 -2.60 113.55 120.13 2vlr h SER 95 Ca -0.51 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.61 2vlr h SER 95 Cb 1.21 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.18 2vlr h SER 95 CO 0.64 0.00 0.20 0.00 -0.87 0.00 0.00 176.83 176.80 2vlr n GLN 96 N -2.41 3.13 -0.46 4.77 1.13 -1.26 -4.95 117.38 117.32 2vlr n GLN 96 Ca 0.01 -3.06 0.00 0.00 -1.94 0.00 0.00 57.00 52.01 2vlr n GLN 96 Cb 0.20 -2.08 0.00 0.00 0.11 0.00 0.00 30.24 28.47 2vlr n GLN 96 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vlr n GLY 97 N -0.48 0.72 1.80 1.08 0.00 -0.98 -5.07 105.19 102.26 2vlr n GLY 97 Ca 0.38 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2vlr n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vlr n ASN 98 N 0.79 -0.00 -4.84 1.61 2.04 -1.25 -5.00 115.26 108.61 2vlr n ASN 98 Ca 0.00 -2.21 -0.37 0.00 -0.44 0.00 0.00 54.58 51.56 2vlr n ASN 98 Cb 0.00 0.83 -0.06 0.00 -2.53 0.00 0.00 39.78 38.02 2vlr n ASN 98 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2vlr s LEU 99 N 0.00 4.38 -0.27 -4.53 1.43 -1.26 -0.18 118.68 118.25 2vlr s LEU 99 Ca 0.19 0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 53.70 2vlr s LEU 99 Cb 0.01 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 2vlr s LEU 99 CO 0.14 0.34 0.53 -0.63 0.23 0.00 0.00 176.35 176.96 2vlr s ILE 100 N -0.78 5.05 -0.13 -0.59 -1.09 0.69 -4.89 121.20 119.45 2vlr s ILE 100 Ca 0.17 0.87 -0.05 0.00 -2.23 0.00 0.00 60.65 59.42 2vlr s ILE 100 Cb -0.13 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2vlr s ILE 100 CO 0.06 0.05 0.03 -0.36 -1.23 0.00 0.00 174.94 173.49 2vlr s PHE 101 N 2.35 3.22 0.92 3.97 0.40 -1.26 -0.56 117.98 127.02 2vlr s PHE 101 Ca 0.22 0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.54 2vlr s PHE 101 Cb -0.16 -1.93 0.15 0.00 0.51 0.00 0.00 43.02 41.59 2vlr s PHE 101 CO 0.09 0.32 1.14 0.20 0.70 0.00 0.00 175.22 177.67 2vlr s GLY 102 N -0.28 1.58 0.00 4.36 0.00 -0.54 -4.72 107.32 107.72 2vlr s GLY 102 Ca 0.07 -0.54 0.25 0.00 0.00 0.00 0.00 44.72 44.51 2vlr s GLY 102 CO 0.02 0.04 1.42 0.28 0.00 0.00 0.00 173.10 174.85 2vlr n LYS 103 N -3.81 0.80 0.00 2.90 4.76 -1.26 -4.76 118.16 116.79 2vlr n LYS 103 Ca 0.07 -0.53 0.00 0.00 -2.87 0.00 0.00 58.31 54.98 2vlr n LYS 103 Cb 0.59 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 2vlr n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2vlr n GLY 104 N 1.38 2.63 3.10 0.72 0.00 -1.26 -5.00 105.19 106.76 2vlr n GLY 104 Ca 0.11 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 2vlr n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vlr s THR 105 N -2.68 2.06 -0.36 2.61 2.01 -0.78 -4.63 115.64 113.87 2vlr s THR 105 Ca 0.00 -1.14 -0.24 0.00 0.31 0.00 0.00 61.69 60.63 2vlr s THR 105 Cb 0.00 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.55 2vlr s THR 105 CO 0.00 0.36 0.81 -0.75 -0.69 0.00 0.00 174.62 174.35 2vlr s LYS 106 N 1.24 3.78 -0.19 4.92 2.20 -0.58 -1.72 119.74 129.40 2vlr s LYS 106 Ca 0.01 0.38 -0.08 0.00 -0.36 0.00 0.00 55.97 55.91 2vlr s LYS 106 Cb -0.15 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 2vlr s LYS 106 CO -0.10 -0.86 0.09 -1.17 -0.36 0.00 0.00 175.35 172.95 2vlr s LEU 107 N 3.16 3.97 -0.10 5.43 2.96 -0.39 -1.40 118.68 132.31 2vlr s LEU 107 Ca 0.33 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 2vlr s LEU 107 Cb -0.13 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.55 2vlr s LEU 107 CO 0.17 0.18 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.74 2vlr s SER 108 N 0.37 2.70 -0.24 3.68 0.01 -0.20 -1.97 113.70 118.05 2vlr s SER 108 Ca 0.05 -0.49 -0.07 0.00 1.31 0.00 0.00 55.95 56.76 2vlr s SER 108 Cb -0.12 -1.24 -0.02 0.00 0.21 0.00 0.00 66.02 64.85 2vlr s SER 108 CO -0.01 0.10 0.04 -0.69 0.41 0.00 0.00 173.24 173.10 2vlr s VAL 109 N 0.57 4.12 -0.19 3.43 1.01 -1.26 -1.53 120.40 126.54 2vlr s VAL 109 Ca -0.15 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 2vlr s VAL 109 Cb -0.17 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2vlr s VAL 109 CO 0.05 0.36 0.55 -0.54 0.00 0.00 0.00 175.10 175.52 2vlr s LYS 110 N 1.54 4.20 0.58 2.72 1.02 0.33 -4.72 119.74 125.41 2vlr s LYS 110 Ca 0.06 0.48 -0.20 0.00 0.02 0.00 0.00 55.97 56.33 2vlr s LYS 110 Cb -0.15 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 2vlr s LYS 110 CO 0.02 -0.16 1.32 -0.35 -0.92 0.00 0.00 175.35 175.26 2vlr n PRO 111 N 4.82 1.48 -3.36 -1.68 -0.04 -1.26 -2.02 135.00 132.93 2vlr n PRO 111 Ca -0.04 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.59 2vlr n PRO 111 Cb 0.50 -2.55 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 2vlr n PRO 111 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2vlr s ASN 112 N -1.07 6.47 -0.13 3.54 0.01 -1.26 -4.67 114.94 117.82 2vlr s ASN 112 Ca 0.75 0.55 0.00 0.00 -0.71 0.00 0.00 52.86 53.46 2vlr s ASN 112 Cb -0.41 -2.24 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 2vlr s ASN 112 CO 0.46 -0.09 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.18 2vlr s ILE 113 N 1.33 2.81 0.04 0.60 -1.09 -1.26 -4.92 121.20 118.71 2vlr s ILE 113 Ca 0.20 -0.74 -0.23 0.00 -2.23 0.00 0.00 60.65 57.65 2vlr s ILE 113 Cb -0.15 -2.17 -0.15 0.00 -1.58 0.00 0.00 42.46 38.41 2vlr s ILE 113 CO 0.08 0.52 1.47 1.56 -1.23 0.00 0.00 174.94 177.35 2vlr h GLN 114 N 6.89 0.13 -2.77 2.79 1.08 -1.98 -3.42 115.11 117.84 2vlr h GLN 114 Ca -0.27 -0.04 -0.61 0.00 -1.45 0.00 0.00 58.65 56.29 2vlr h GLN 114 Cb 1.21 -0.01 -0.40 0.00 -0.05 0.00 0.00 27.48 28.23 2vlr h GLN 114 CO 0.55 0.39 -0.76 -0.80 -0.95 0.00 0.00 178.83 177.26 2vlr s ASN 115 N -5.63 3.24 0.52 1.46 0.01 -1.26 -5.11 114.94 108.17 2vlr s ASN 115 Ca -0.14 -3.38 -0.22 0.00 -0.71 0.00 0.00 52.86 48.40 2vlr s ASN 115 Cb 0.04 -1.05 -0.06 0.00 0.41 0.00 0.00 41.25 40.59 2vlr s ASN 115 CO 0.69 -0.14 1.26 -0.81 -1.51 0.00 0.00 177.10 176.59 2vlr n PRO 116 N 2.52 1.61 -2.84 -0.60 -0.04 -1.26 -4.99 135.00 129.40 2vlr n PRO 116 Ca 0.23 0.59 -0.11 0.00 -0.04 0.00 0.00 63.50 64.16 2vlr n PRO 116 Cb 0.40 -2.44 0.04 0.00 -0.04 0.00 0.00 33.50 31.47 2vlr n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2vlr n ASP 117 N -0.58 -0.23 -4.71 3.54 -0.08 -0.35 -5.00 116.55 109.14 2vlr n ASP 117 Ca 0.10 -2.97 -0.55 0.00 -1.51 0.00 0.00 54.79 49.86 2vlr n ASP 117 Cb 0.43 0.28 -0.07 0.00 2.34 0.00 0.00 41.12 44.11 2vlr n ASP 117 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2vlr n PRO 118 N 0.03 1.42 -3.64 -0.67 -0.04 -1.26 -4.68 135.00 126.16 2vlr n PRO 118 Ca 0.11 0.52 -0.10 0.00 -0.04 0.00 0.00 63.50 63.99 2vlr n PRO 118 Cb 0.75 -2.25 -0.07 0.00 -0.04 0.00 0.00 33.50 31.90 2vlr n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vlr s ALA 119 N 3.71 -1.91 -0.16 0.55 0.00 -1.16 0.06 121.76 122.85 2vlr s ALA 119 Ca 0.97 2.13 -0.04 0.00 0.00 0.00 0.00 51.96 55.02 2vlr s ALA 119 Cb -0.97 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 2vlr s ALA 119 CO 0.62 -0.33 -0.03 0.08 0.00 0.00 0.00 175.76 176.11 2vlr s VAL 120 N 0.82 3.96 0.18 0.00 1.01 -1.09 -1.88 120.40 123.39 2vlr s VAL 120 Ca -0.03 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.72 2vlr s VAL 120 Cb -0.05 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2vlr s VAL 120 CO -0.08 0.48 -0.18 -0.31 0.00 0.00 0.00 175.10 175.02 2vlr s TYR 121 N 0.42 2.47 -0.20 5.22 2.02 0.10 -4.32 117.35 123.07 2vlr s TYR 121 Ca -0.03 -0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.32 2vlr s TYR 121 Cb -0.14 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 2vlr s TYR 121 CO 0.03 0.48 0.02 -1.14 -1.57 0.00 0.00 175.55 173.37 2vlr s GLN 122 N -2.64 3.70 0.40 -0.62 0.74 -1.26 -0.67 119.66 119.32 2vlr s GLN 122 Ca 0.22 -0.48 0.08 0.00 0.05 0.00 0.00 55.36 55.23 2vlr s GLN 122 Cb -0.09 -3.11 -0.01 0.00 1.10 0.00 0.00 33.01 30.90 2vlr s GLN 122 CO 0.12 0.08 0.44 -0.51 -0.55 0.00 0.00 175.29 174.87 2vlr s LEU 123 N 0.85 3.55 -0.01 3.68 1.02 -0.63 -5.00 118.68 122.13 2vlr s LEU 123 Ca 0.01 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.63 2vlr s LEU 123 Cb -0.14 -2.33 -0.00 0.00 0.02 0.00 0.00 46.19 43.73 2vlr s LEU 123 CO 0.02 -0.64 -0.08 0.00 0.02 0.00 0.00 176.35 175.67 2vlr s ARG 124 N -4.19 0.76 0.24 1.70 3.03 -1.26 -4.05 118.95 115.19 2vlr s ARG 124 Ca 0.49 -0.29 -0.30 0.00 2.03 0.00 0.00 55.73 57.66 2vlr s ARG 124 Cb -0.06 -0.73 -0.10 0.00 -1.03 0.00 0.00 34.95 33.03 2vlr s ARG 124 CO 0.30 0.15 1.45 0.34 -1.13 0.00 0.00 175.30 176.41 2vlr s ASP 125 N -0.04 6.64 0.00 -2.89 2.15 -1.26 -4.92 116.67 116.35 2vlr s ASP 125 Ca 0.01 2.67 0.30 0.00 0.43 0.00 0.00 52.55 55.96 2vlr s ASP 125 Cb -0.05 -2.62 1.71 0.00 -0.30 0.00 0.00 42.92 41.66 2vlr s ASP 125 CO -0.00 -0.72 2.11 -1.54 -0.17 0.00 0.00 175.17 174.85 2vlr n SER 126 N 2.44 0.23 0.00 -0.34 3.41 -1.26 -4.12 113.62 113.98 2vlr n SER 126 Ca 0.07 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 2vlr n SER 126 Cb 0.40 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2vlr n SER 126 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2vlr n LYS 127 N -0.80 3.01 0.00 4.33 4.81 -1.26 -5.12 118.16 123.13 2vlr n LYS 127 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2vlr n LYS 127 Cb 0.14 -0.34 0.00 0.00 0.02 0.00 0.00 35.03 34.85 2vlr n LYS 127 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2vlr n SER 128 N -0.26 0.00 -3.66 3.14 3.41 -1.26 -5.17 113.62 109.81 2vlr n SER 128 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 2vlr n SER 128 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2vlr n SER 128 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2vlr s SER 129 N 0.84 -0.73 0.59 4.04 0.15 -1.26 -4.98 113.70 112.35 2vlr s SER 129 Ca 0.00 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.93 2vlr s SER 129 Cb 0.00 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 2vlr s SER 129 CO 0.00 -0.22 0.00 -0.67 1.20 0.00 0.00 173.24 173.55 2vlr n ASP 130 N 3.62 -6.61 -2.59 5.45 -0.08 -1.26 -5.03 116.55 110.04 2vlr n ASP 130 Ca -0.18 0.73 -0.04 0.00 -1.51 0.00 0.00 54.79 53.79 2vlr n ASP 130 Cb 0.57 -2.07 -0.03 0.00 2.34 0.00 0.00 41.12 41.93 2vlr n ASP 130 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2vlr n LYS 131 N -2.87 -4.13 -4.24 -0.67 4.81 -1.26 -4.86 118.16 104.93 2vlr n LYS 131 Ca 0.00 3.17 -0.15 0.00 -0.87 0.00 0.00 58.31 60.46 2vlr n LYS 131 Cb 0.31 -5.05 -0.10 0.00 0.02 0.00 0.00 35.03 30.20 2vlr n LYS 131 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2vlr s SER 132 N -0.95 1.86 0.27 3.14 1.04 -1.26 -4.60 113.70 113.20 2vlr s SER 132 Ca -0.19 -0.93 0.07 0.00 0.48 0.00 0.00 55.95 55.37 2vlr s SER 132 Cb 0.01 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 2vlr s SER 132 CO 0.77 -0.26 0.28 0.68 0.98 0.00 0.00 173.24 175.69 2vlr s VAL 133 N -2.86 4.48 -0.08 5.02 -7.23 -1.26 -4.35 120.40 114.13 2vlr s VAL 133 Ca 0.13 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 59.08 2vlr s VAL 133 Cb -0.00 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.45 2vlr s VAL 133 CO 0.02 -0.30 -0.18 0.00 -0.31 0.00 0.00 175.10 174.33 2vlr s LEU 135 N 0.51 4.15 -0.32 0.00 2.96 0.16 -1.92 118.68 124.23 2vlr s LEU 135 Ca -0.17 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.31 2vlr s LEU 135 Cb -0.17 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 2vlr s LEU 135 CO 0.06 -0.15 0.17 0.12 -1.32 0.00 0.00 176.35 175.23 2vlr s PHE 136 N 1.69 3.19 0.12 5.38 5.36 -0.83 -0.73 117.98 132.15 2vlr s PHE 136 Ca 0.06 -0.49 -0.05 0.00 -0.96 0.00 0.00 56.93 55.48 2vlr s PHE 136 Cb -0.17 -2.38 -0.02 0.00 -0.34 0.00 0.00 43.02 40.12 2vlr s PHE 136 CO 0.09 -0.43 0.15 -0.08 -1.46 0.00 0.00 175.22 173.48 2vlr s THR 137 N 1.64 0.12 0.00 0.12 -1.32 -0.79 -1.74 115.64 113.66 2vlr s THR 137 Ca 0.05 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 2vlr s THR 137 Cb -0.17 -1.72 0.00 0.00 -1.51 0.00 0.00 72.50 69.10 2vlr s THR 137 CO 0.07 -0.54 0.00 0.47 -2.21 0.00 0.00 174.62 172.41 2vlr n ASP 138 N -0.09 -1.64 -4.76 8.08 8.00 -0.96 -2.99 116.55 122.19 2vlr n ASP 138 Ca -0.10 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.10 2vlr n ASP 138 Cb 0.63 -1.17 0.10 0.00 -0.02 0.00 0.00 41.12 40.66 2vlr n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2vlr s PHE 139 N -2.41 2.61 0.69 1.24 -0.71 -1.26 -1.21 117.98 116.93 2vlr s PHE 139 Ca 0.00 1.36 -0.11 0.00 -1.04 0.00 0.00 56.93 57.14 2vlr s PHE 139 Cb 0.00 -3.08 0.00 0.00 -1.21 0.00 0.00 43.02 38.74 2vlr s PHE 139 CO 0.00 -1.91 1.06 0.16 -1.34 0.00 0.00 175.22 173.18 2vlr s ASP 140 N -3.55 5.45 0.00 1.98 3.84 -1.26 -4.56 116.67 118.56 2vlr s ASP 140 Ca 0.61 1.55 0.21 0.00 -0.00 0.00 0.00 52.55 54.93 2vlr s ASP 140 Cb -0.16 -2.44 1.16 0.00 -1.38 0.00 0.00 42.92 40.09 2vlr s ASP 140 CO 0.56 -1.39 1.67 -1.20 -0.00 0.00 0.00 175.17 174.81 2vlr n SER 141 N -3.09 0.00 0.13 2.11 7.64 -1.26 -1.55 113.62 117.59 2vlr n SER 141 Ca 0.07 -0.30 0.12 0.00 1.01 0.00 0.00 58.87 59.77 2vlr n SER 141 Cb 0.54 -0.16 0.05 0.00 -1.01 0.00 0.00 64.21 63.63 2vlr n SER 141 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2vlr h GLN 142 N 0.00 0.00 -6.66 1.43 7.50 -1.94 -3.47 115.11 111.96 2vlr h GLN 142 Ca 0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 2vlr h GLN 142 Cb 0.11 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.66 2vlr h GLN 142 CO 0.00 0.00 0.55 0.99 -1.50 0.00 0.00 178.83 178.87 2vlr s THR 143 N -3.32 3.60 0.09 -0.54 2.01 -0.60 -5.05 115.64 111.84 2vlr s THR 143 Ca 0.02 1.35 0.07 0.00 0.31 0.00 0.00 61.69 63.44 2vlr s THR 143 Cb 0.09 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2vlr s THR 143 CO 0.76 0.22 -0.12 0.20 -0.69 0.00 0.00 174.62 174.98 2vlr s ASN 144 N 0.11 4.26 -0.12 3.53 -0.87 -1.26 -4.98 114.94 115.60 2vlr s ASN 144 Ca 0.52 -0.40 0.02 0.00 -1.57 0.00 0.00 52.86 51.43 2vlr s ASN 144 Cb -0.32 -0.78 0.01 0.00 -0.02 0.00 0.00 41.25 40.14 2vlr s ASN 144 CO 0.36 0.20 -0.16 -0.69 -2.57 0.00 0.00 177.10 174.24 2vlr s VAL 145 N -1.15 1.61 0.37 1.60 1.01 -1.26 -4.46 120.40 118.12 2vlr s VAL 145 Ca 0.20 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.55 2vlr s VAL 145 Cb -0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2vlr s VAL 145 CO 0.12 0.46 0.24 -0.44 0.00 0.00 0.00 175.10 175.48 2vlr s SER 146 N 1.01 4.87 0.00 3.32 0.01 -1.26 -4.91 113.70 116.73 2vlr s SER 146 Ca -0.05 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2vlr s SER 146 Cb -0.15 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.38 2vlr s SER 146 CO -0.03 -0.44 0.00 0.00 0.41 0.00 0.00 173.24 173.18 2vlr n GLN 147 N -1.32 2.52 -4.39 12.44 3.00 -1.26 -4.92 117.38 123.45 2vlr n GLN 147 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.73 2vlr n GLN 147 Cb 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.74 2vlr n GLN 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2vlr s SER 148 N -1.02 3.17 0.15 1.08 1.04 -1.26 -4.90 113.70 111.95 2vlr s SER 148 Ca 0.00 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.50 2vlr s SER 148 Cb 0.00 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.88 2vlr s SER 148 CO 0.00 0.08 1.42 0.50 0.98 0.00 0.00 173.24 176.21 2vlr h LYS 149 N 3.29 0.70 -6.29 4.02 1.63 -1.96 -3.45 116.57 114.50 2vlr h LYS 149 Ca -0.45 -0.48 -0.56 0.00 -0.85 0.00 0.00 60.65 58.30 2vlr h LYS 149 Cb 1.20 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.87 2vlr h LYS 149 CO 0.48 1.11 -0.17 -0.51 -3.45 0.00 0.00 179.45 176.90 2vlr s ASP 150 N -6.98 6.64 0.49 4.20 1.01 -1.26 -5.00 116.67 115.77 2vlr s ASP 150 Ca -0.09 0.86 0.28 0.00 0.71 0.00 0.00 52.55 54.32 2vlr s ASP 150 Cb 0.10 -2.20 0.84 0.00 1.01 0.00 0.00 42.92 42.67 2vlr s ASP 150 CO 0.87 0.04 1.79 -1.28 0.21 0.00 0.00 175.17 176.80 2vlr h SER 151 N 3.05 0.00 -0.49 0.27 0.87 -2.06 -3.20 113.55 112.00 2vlr h SER 151 Ca -0.48 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 59.84 2vlr h SER 151 Cb 1.18 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.99 2vlr h SER 151 CO 0.68 0.00 0.07 -0.90 -0.53 0.00 0.00 176.83 176.16 2vlr n ASP 152 N -3.10 2.77 -4.32 6.23 5.68 -1.26 -4.81 116.55 117.74 2vlr n ASP 152 Ca 0.02 -3.74 -0.34 0.00 -0.50 0.00 0.00 54.79 50.24 2vlr n ASP 152 Cb 0.42 -0.68 -0.14 0.00 -1.14 0.00 0.00 41.12 39.58 2vlr n ASP 152 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2vlr s VAL 153 N -3.25 3.01 -0.22 2.12 1.01 -1.21 -4.34 120.40 117.52 2vlr s VAL 153 Ca 0.47 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2vlr s VAL 153 Cb 0.42 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2vlr s VAL 153 CO 0.02 0.49 -0.04 -0.31 0.00 0.00 0.00 175.10 175.27 2vlr s TYR 154 N 0.84 2.97 -0.02 5.22 2.02 -0.52 -4.76 117.35 123.09 2vlr s TYR 154 Ca -0.04 -0.87 0.04 0.00 -0.37 0.00 0.00 57.07 55.84 2vlr s TYR 154 Cb -0.15 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 2vlr s TYR 154 CO 0.00 -0.51 -0.15 0.42 -1.57 0.00 0.00 175.55 173.74 2vlr s ILE 155 N 1.43 1.23 0.35 2.71 1.01 -1.26 -1.50 121.20 125.16 2vlr s ILE 155 Ca 0.05 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.13 2vlr s ILE 155 Cb -0.14 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 2vlr s ILE 155 CO -0.02 0.35 0.48 0.42 0.00 0.00 0.00 174.94 176.17 2vlr s THR 156 N -0.21 3.82 0.62 2.92 -4.23 -0.92 -4.95 115.64 112.68 2vlr s THR 156 Ca 0.03 -1.02 -0.11 0.00 -1.18 0.00 0.00 61.69 59.41 2vlr s THR 156 Cb -0.08 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 2vlr s THR 156 CO 0.00 -0.13 1.02 -1.81 -0.54 0.00 0.00 174.62 173.17 2vlr s ASP 157 N -4.20 6.19 -0.14 3.99 1.01 -1.26 -4.62 116.67 117.64 2vlr s ASP 157 Ca 0.47 1.38 -0.29 0.00 0.71 0.00 0.00 52.55 54.81 2vlr s ASP 157 Cb -0.09 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2vlr s ASP 157 CO 0.31 -0.88 1.43 -1.59 0.21 0.00 0.00 175.17 174.65 2vlr s LYS 158 N -5.17 4.16 0.27 8.23 -2.85 -1.26 -4.64 119.74 118.47 2vlr s LYS 158 Ca 0.55 1.82 0.06 0.00 -1.00 0.00 0.00 55.97 57.39 2vlr s LYS 158 Cb -0.11 -3.87 -0.02 0.00 -2.06 0.00 0.00 37.83 31.77 2vlr s LYS 158 CO 0.53 -0.83 0.39 0.95 0.10 0.00 0.00 175.35 176.50 2vlr s THR 159 N 3.87 4.89 -0.07 3.79 -4.23 -0.84 -4.91 115.64 118.15 2vlr s THR 159 Ca 0.62 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.17 2vlr s THR 159 Cb -0.26 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 69.85 2vlr s THR 159 CO 0.21 -0.28 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.15 2vlr s VAL 160 N -2.04 2.75 -0.02 2.29 1.01 -1.26 -1.74 120.40 121.39 2vlr s VAL 160 Ca 0.37 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.61 2vlr s VAL 160 Cb -0.09 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2vlr s VAL 160 CO 0.29 0.57 -0.25 -0.22 0.00 0.00 0.00 175.10 175.50 2vlr s LEU 161 N -0.36 2.05 -0.16 3.92 0.20 0.24 -4.97 118.68 119.61 2vlr s LEU 161 Ca 0.03 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 54.40 2vlr s LEU 161 Cb -0.12 -1.30 0.02 0.00 -0.43 0.00 0.00 46.19 44.36 2vlr s LEU 161 CO 0.02 0.30 -0.15 -0.62 -0.29 0.00 0.00 176.35 175.61 2vlr s ASP 162 N -0.54 2.88 -0.28 3.68 2.15 -1.26 -1.25 116.67 122.05 2vlr s ASP 162 Ca 0.08 -0.58 -0.11 0.00 0.43 0.00 0.00 52.55 52.38 2vlr s ASP 162 Cb -0.10 -1.26 -0.05 0.00 -0.30 0.00 0.00 42.92 41.21 2vlr s ASP 162 CO -0.00 -0.05 0.18 -0.04 -0.17 0.00 0.00 175.17 175.08 2vlr s MET 163 N 1.43 3.89 0.02 4.34 -1.94 -0.43 -5.03 119.30 121.57 2vlr s MET 163 Ca 0.04 -0.36 -0.17 0.00 -1.71 0.00 0.00 55.69 53.49 2vlr s MET 163 Cb -0.13 -3.63 -0.09 0.00 2.01 0.00 0.00 34.83 32.98 2vlr s MET 163 CO -0.11 -0.20 1.07 0.00 -0.01 0.00 0.00 175.02 175.78 2vlr h ARG 164 N 8.36 -0.59 -1.00 2.03 2.47 -1.97 -1.97 114.38 121.72 2vlr h ARG 164 Ca -0.35 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 2vlr h ARG 164 Cb 1.19 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 2vlr h ARG 164 CO 0.56 -0.39 0.00 -1.13 0.56 0.00 0.00 179.97 179.56 2vlr n SER 165 N -3.93 1.84 0.00 7.04 3.41 -1.26 -1.66 113.62 119.07 2vlr n SER 165 Ca -0.08 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 2vlr n SER 165 Cb 0.24 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2vlr n SER 165 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2vlr n MET 166 N 0.30 3.35 -1.35 4.33 2.81 -1.21 -5.03 117.12 120.32 2vlr n MET 166 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 2vlr n MET 166 Cb 0.34 -0.70 -0.05 0.00 -0.71 0.00 0.00 33.22 32.10 2vlr n MET 166 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2vlr n ASP 167 N -0.65 -4.97 -4.78 7.83 9.92 -0.66 -4.99 116.55 118.25 2vlr n ASP 167 Ca 0.00 0.30 -0.38 0.00 -0.53 0.00 0.00 54.79 54.18 2vlr n ASP 167 Cb 0.00 -3.54 -0.06 0.00 -0.64 0.00 0.00 41.12 36.88 2vlr n ASP 167 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2vlr s PHE 168 N -2.28 3.67 0.04 1.24 5.36 -1.17 -4.94 117.98 119.90 2vlr s PHE 168 Ca 0.00 1.06 0.07 0.00 -0.96 0.00 0.00 56.93 57.11 2vlr s PHE 168 Cb 0.00 -2.49 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 2vlr s PHE 168 CO 0.00 0.42 -0.20 0.15 -1.46 0.00 0.00 175.22 174.13 2vlr s LYS 169 N -0.35 2.02 -0.13 10.12 1.02 -1.26 -1.31 119.74 129.86 2vlr s LYS 169 Ca 0.27 -1.00 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 2vlr s LYS 169 Cb -0.17 -2.15 0.05 0.00 -0.52 0.00 0.00 37.83 35.04 2vlr s LYS 169 CO 0.14 0.54 0.31 -1.54 -0.92 0.00 0.00 175.35 173.88 2vlr s SER 170 N -1.40 -0.37 0.56 2.83 1.04 -0.38 -4.93 113.70 111.05 2vlr s SER 170 Ca 0.14 0.68 -0.13 0.00 0.48 0.00 0.00 55.95 57.12 2vlr s SER 170 Cb -0.10 0.56 -0.06 0.00 0.10 0.00 0.00 66.02 66.52 2vlr s SER 170 CO 0.05 -0.18 0.99 0.20 0.98 0.00 0.00 173.24 175.28 2vlr s ASN 171 N 1.30 6.42 -0.10 7.02 0.01 -1.26 -0.59 114.94 127.73 2vlr s ASN 171 Ca -0.09 1.46 -0.30 0.00 -0.71 0.00 0.00 52.86 53.22 2vlr s ASN 171 Cb -0.09 -2.48 0.11 0.00 0.41 0.00 0.00 41.25 39.20 2vlr s ASN 171 CO -0.10 -0.72 0.90 -0.94 -1.51 0.00 0.00 177.10 174.73 2vlr s SER 172 N -3.65 -0.43 0.09 -1.22 1.04 -0.71 -2.27 113.70 106.55 2vlr s SER 172 Ca 0.56 0.37 0.04 0.00 0.48 0.00 0.00 55.95 57.40 2vlr s SER 172 Cb -0.10 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 2vlr s SER 172 CO 0.43 -0.47 -0.12 0.00 0.98 0.00 0.00 173.24 174.06 2vlr s ALA 173 N -1.63 1.12 0.08 5.32 0.00 -0.71 -1.99 121.76 123.95 2vlr s ALA 173 Ca -0.02 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.92 2vlr s ALA 173 Cb -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2vlr s ALA 173 CO 0.01 0.05 -0.13 0.08 0.00 0.00 0.00 175.76 175.76 2vlr s VAL 174 N -1.88 3.14 -0.01 0.00 1.01 -1.26 -1.97 120.40 119.42 2vlr s VAL 174 Ca 0.02 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.76 2vlr s VAL 174 Cb -0.06 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 2vlr s VAL 174 CO 0.01 0.19 -0.09 0.00 0.00 0.00 0.00 175.10 175.20 2vlr s ALA 175 N -1.11 0.83 0.02 5.51 0.00 -0.81 -2.18 121.76 124.02 2vlr s ALA 175 Ca 0.19 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 2vlr s ALA 175 Cb -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2vlr s ALA 175 CO 0.10 0.18 0.17 1.67 0.00 0.00 0.00 175.76 177.88 2vlr s TRP 176 N -0.08 0.04 0.14 0.00 -2.14 -0.56 -1.12 118.94 115.21 2vlr s TRP 176 Ca 0.01 -0.18 -0.24 0.00 2.66 0.00 0.00 56.10 58.36 2vlr s TRP 176 Cb -0.05 -0.03 0.07 0.00 -3.10 0.00 0.00 33.47 30.35 2vlr s TRP 176 CO -0.00 -0.36 0.61 0.45 -2.66 0.00 0.00 176.95 174.99 2vlr s SER 177 N -1.71 -0.58 0.12 -2.66 0.15 -1.26 -1.44 113.70 106.32 2vlr s SER 177 Ca -0.10 0.07 0.20 0.00 0.70 0.00 0.00 55.95 56.82 2vlr s SER 177 Cb -0.04 0.59 -0.08 0.00 -1.71 0.00 0.00 66.02 64.78 2vlr s SER 177 CO -0.01 -0.93 0.90 0.59 1.20 0.00 0.00 173.24 174.99 2vlr n ASN 178 N -0.24 0.81 -4.50 5.45 5.03 -1.26 -4.61 115.26 115.94 2vlr n ASN 178 Ca -0.17 0.34 -0.53 0.00 0.87 0.00 0.00 54.58 55.08 2vlr n ASN 178 Cb 0.64 0.37 -0.06 0.00 -1.02 0.00 0.00 39.78 39.72 2vlr n ASN 178 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2vlr n LYS 179 N -2.76 0.38 0.01 3.52 4.76 -1.26 -4.84 118.16 117.96 2vlr n LYS 179 Ca -0.05 0.14 0.09 0.00 -2.87 0.00 0.00 58.31 55.61 2vlr n LYS 179 Cb 0.70 -1.54 0.37 0.00 -1.84 0.00 0.00 35.03 32.73 2vlr n LYS 179 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2vlr n SER 180 N 1.82 0.05 -0.48 4.39 2.88 -1.26 -2.13 113.62 118.90 2vlr n SER 180 Ca 0.18 0.51 0.06 0.00 -1.33 0.00 0.00 58.87 58.30 2vlr n SER 180 Cb 0.17 -0.52 0.15 0.00 -0.75 0.00 0.00 64.21 63.25 2vlr n SER 180 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2vlr n ASP 181 N -1.56 2.91 -4.73 -3.46 5.75 -1.26 -5.03 116.55 109.18 2vlr n ASP 181 Ca 0.04 -2.51 -0.41 0.00 -0.01 0.00 0.00 54.79 51.90 2vlr n ASP 181 Cb 0.20 -0.31 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 2vlr n ASP 181 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2vlr s PHE 182 N -1.90 3.80 -0.28 2.11 2.19 -0.91 -5.04 117.98 117.96 2vlr s PHE 182 Ca 0.26 1.79 -0.16 0.00 0.33 0.00 0.00 56.93 59.15 2vlr s PHE 182 Cb 0.19 -3.07 0.10 0.00 -1.31 0.00 0.00 43.02 38.93 2vlr s PHE 182 CO 0.08 0.15 0.77 0.00 1.83 0.00 0.00 175.22 178.05 2vlr s ALA 183 N -0.09 -2.00 0.14 11.12 0.00 -1.26 -5.03 121.76 124.64 2vlr s ALA 183 Ca 0.47 2.36 0.02 0.00 0.00 0.00 0.00 51.96 54.81 2vlr s ALA 183 Cb -0.24 -1.52 0.38 0.00 0.00 0.00 0.00 23.12 21.74 2vlr s ALA 183 CO 0.30 -0.39 0.71 0.00 0.00 0.00 0.00 175.76 176.39 2vlr n ALA 185 N -3.34 5.87 -0.55 0.00 0.00 -1.26 -2.57 120.51 118.66 2vlr n ALA 185 Ca 0.11 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.65 2vlr n ALA 185 Cb 0.38 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.31 2vlr n ALA 185 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2vlr n ASN 186 N 2.83 0.00 -0.00 0.00 2.04 -0.73 -5.02 115.26 114.37 2vlr n ASN 186 Ca 0.44 -0.02 -0.18 0.00 -0.44 0.00 0.00 54.58 54.38 2vlr n ASN 186 Cb 0.66 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.82 2vlr n ASN 186 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2vlr h ALA 187 N 0.00 0.17 -0.88 -2.53 0.00 -1.64 -3.21 119.26 111.18 2vlr h ALA 187 Ca 0.00 -0.59 -0.37 0.00 0.00 0.00 0.00 54.91 53.95 2vlr h ALA 187 Cb 0.01 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.60 2vlr h ALA 187 CO 0.00 0.51 0.47 1.19 0.00 0.00 0.00 179.25 181.42 2vlr n PHE 188 N -4.07 2.79 0.27 0.00 3.01 -1.26 -4.69 117.46 113.51 2vlr n PHE 188 Ca -0.09 -1.53 0.00 0.00 1.01 0.00 0.00 57.45 56.84 2vlr n PHE 188 Cb 0.72 -0.82 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 2vlr n PHE 188 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2vlr n ASN 189 N -0.64 2.19 -0.40 4.37 4.13 -1.21 -2.20 115.26 121.50 2vlr n ASN 189 Ca 0.51 -1.38 0.00 0.00 1.68 0.00 0.00 54.58 55.39 2vlr n ASN 189 Cb 1.54 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 39.37 2vlr n ASN 189 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2vlr n ASN 190 N 1.07 0.00 -3.97 6.41 5.15 -1.26 -5.10 115.26 117.55 2vlr n ASN 190 Ca 0.00 -1.41 -0.17 0.00 -0.60 0.00 0.00 54.58 52.41 2vlr n ASN 190 Cb 0.29 -0.08 -0.15 0.00 -0.53 0.00 0.00 39.78 39.31 2vlr n ASN 190 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2vlr s SER 191 N -0.41 0.72 -0.75 1.20 0.01 -0.93 -4.67 113.70 108.87 2vlr s SER 191 Ca 0.00 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 56.89 2vlr s SER 191 Cb 0.00 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.13 2vlr s SER 191 CO 0.00 0.07 1.68 -0.63 0.41 0.00 0.00 173.24 174.76 2vlr s ILE 192 N -0.08 3.54 -0.05 1.44 -1.09 -1.26 -4.98 121.20 118.72 2vlr s ILE 192 Ca 0.02 0.03 -0.00 0.00 -2.23 0.00 0.00 60.65 58.46 2vlr s ILE 192 Cb -0.03 -4.35 -0.03 0.00 -1.58 0.00 0.00 42.46 36.47 2vlr s ILE 192 CO -0.00 -1.29 -0.01 -0.63 -1.23 0.00 0.00 174.94 171.78 2vlr s ILE 193 N 7.90 4.16 0.19 2.92 1.09 -1.26 -4.58 121.20 131.62 2vlr s ILE 193 Ca 0.57 -0.43 -0.32 0.00 -1.10 0.00 0.00 60.65 59.37 2vlr s ILE 193 Cb -0.09 -2.79 -0.16 0.00 -1.06 0.00 0.00 42.46 38.37 2vlr s ILE 193 CO 0.11 0.51 1.07 -2.65 -0.10 0.00 0.00 174.94 173.88 2vlr n PRO 194 N 1.83 1.06 0.33 2.79 -0.02 -1.26 -4.84 135.00 134.89 2vlr n PRO 194 Ca -0.17 0.37 0.22 0.00 -2.02 0.00 0.00 63.50 61.91 2vlr n PRO 194 Cb 0.53 -1.80 1.16 0.00 -0.02 0.00 0.00 33.50 33.36 2vlr n PRO 194 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2vlr h GLU 195 N 2.88 0.00 -1.96 -0.52 4.57 -2.00 -2.92 114.58 114.62 2vlr h GLU 195 Ca -0.41 0.00 -0.71 0.00 -1.18 0.00 0.00 59.36 57.05 2vlr h GLU 195 Cb 1.35 0.00 -0.33 0.00 -0.16 0.00 0.00 28.75 29.62 2vlr h GLU 195 CO 0.67 0.00 0.41 -0.40 -1.18 0.00 0.00 179.01 178.51 2vlr n ASP 196 N -3.08 6.44 -4.66 1.04 3.85 -1.26 -5.01 116.55 113.88 2vlr n ASP 196 Ca -0.03 -3.76 -0.43 0.00 -0.71 0.00 0.00 54.79 49.86 2vlr n ASP 196 Cb 0.10 -0.88 -0.02 0.00 -1.35 0.00 0.00 41.12 38.97 2vlr n ASP 196 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2vlr s THR 197 N -4.99 4.66 -0.77 2.12 2.01 -1.11 -4.68 115.64 112.89 2vlr s THR 197 Ca 0.48 1.98 -0.26 0.00 0.31 0.00 0.00 61.69 64.20 2vlr s THR 197 Cb 0.36 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.56 2vlr s THR 197 CO -0.27 -0.22 1.56 0.12 -0.69 0.00 0.00 174.62 175.11 2vlr s PHE 198 N 3.26 2.08 -0.35 4.92 5.36 0.11 -4.91 117.98 128.46 2vlr s PHE 198 Ca 0.44 0.15 -0.17 0.00 -0.96 0.00 0.00 56.93 56.39 2vlr s PHE 198 Cb -0.15 -4.41 -0.01 0.00 -0.34 0.00 0.00 43.02 38.12 2vlr s PHE 198 CO 0.07 -2.09 0.45 -0.06 -1.46 0.00 0.00 175.22 172.14 2vlr s PHE 199 N 7.12 3.19 -0.33 10.12 0.08 -1.26 -2.67 117.98 134.23 2vlr s PHE 199 Ca 0.50 0.11 -0.37 0.00 0.12 0.00 0.00 56.93 57.29 2vlr s PHE 199 Cb -0.08 -2.82 -0.13 0.00 -0.57 0.00 0.00 43.02 39.42 2vlr s PHE 199 CO 0.11 -0.49 2.07 -2.30 -0.10 0.00 0.00 175.22 174.50 2vlr n PRO 200 N 5.60 1.07 0.00 0.24 -0.02 -1.26 -5.07 135.00 135.56 2vlr n PRO 200 Ca -0.06 0.33 0.09 0.00 -2.02 0.00 0.00 63.50 61.84 2vlr n PRO 200 Cb 0.49 -2.31 0.08 0.00 -0.02 0.00 0.00 33.50 31.74 2vlr n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93