#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy s GLN 4 N 0.00 3.04 -0.13 3.52 -0.21 -1.26 -4.38 119.66 120.23 2avy s GLN 4 Ca 0.00 -0.66 -0.04 0.00 0.02 0.00 0.00 55.36 54.68 2avy s GLN 4 Cb 0.00 -2.63 0.06 0.00 1.00 0.00 0.00 33.01 31.44 2avy s GLN 4 CO 0.00 -0.21 0.12 0.71 -2.12 0.00 0.00 175.29 173.79 2avy s TYR 5 N -2.46 0.01 0.44 0.91 1.51 -1.10 -5.00 117.35 111.65 2avy s TYR 5 Ca 0.48 0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 56.52 2avy s TYR 5 Cb -0.10 -0.50 -0.06 0.00 -0.11 0.00 0.00 41.96 41.19 2avy s TYR 5 CO 0.36 -0.41 0.82 -0.47 -1.11 0.00 0.00 175.55 174.74 2avy s TYR 6 N 2.21 3.48 -0.28 2.71 6.14 -1.26 -2.67 117.35 127.68 2avy s TYR 6 Ca 0.04 1.11 0.01 0.00 0.64 0.00 0.00 57.07 58.87 2avy s TYR 6 Cb -0.14 -2.50 0.17 0.00 0.42 0.00 0.00 41.96 39.90 2avy s TYR 6 CO -0.08 -0.19 0.49 0.20 0.64 0.00 0.00 175.55 176.62 2avy s GLY 7 N -3.25 -0.81 0.00 8.97 0.00 -1.19 -4.48 107.32 106.56 2avy s GLY 7 Ca 0.52 1.02 0.00 0.00 0.00 0.00 0.00 44.72 46.26 2avy s GLY 7 CO 0.33 3.19 0.03 2.41 0.00 0.00 0.00 173.10 179.06 2avy n THR 8 N 5.39 0.00 -0.61 0.90 -1.04 -1.26 -3.50 114.28 114.16 2avy n THR 8 Ca 0.00 0.53 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 2avy n THR 8 Cb 0.51 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 2avy n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2avy n GLY 9 N -0.04 -3.73 3.65 3.41 0.00 -1.26 -3.76 105.19 103.45 2avy n GLY 9 Ca 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.10 2avy n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2avy s ARG 10 N -4.41 0.68 -0.30 1.61 1.70 -1.24 -1.06 118.95 115.93 2avy s ARG 10 Ca 0.00 -0.35 -0.20 0.00 -0.47 0.00 0.00 55.73 54.71 2avy s ARG 10 Cb 0.00 0.24 0.21 0.00 -0.57 0.00 0.00 34.95 34.83 2avy s ARG 10 CO 0.00 -0.31 1.35 -0.98 -1.08 0.00 0.00 175.30 174.28 2avy s ARG 11 N -2.76 0.04 -0.62 3.89 1.70 -1.26 -4.57 118.95 115.38 2avy s ARG 11 Ca 0.12 0.06 -0.11 0.00 -0.47 0.00 0.00 55.73 55.33 2avy s ARG 11 Cb 0.02 0.01 0.01 0.00 -0.57 0.00 0.00 34.95 34.42 2avy s ARG 11 CO -0.02 -0.01 0.65 1.17 -1.08 0.00 0.00 175.30 176.01 2avy n LYS 12 N 2.47 -1.78 -4.14 3.89 4.81 -1.26 -3.15 118.16 119.00 2avy n LYS 12 Ca -0.14 1.55 -0.31 0.00 -0.87 0.00 0.00 58.31 58.54 2avy n LYS 12 Cb 0.56 -4.59 -0.05 0.00 0.02 0.00 0.00 35.03 30.97 2avy n LYS 12 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2avy n SER 13 N -1.24 -0.33 -4.36 3.14 3.41 -1.26 -4.45 113.62 108.54 2avy n SER 13 Ca -0.03 -1.18 -0.19 0.00 -0.26 0.00 0.00 58.87 57.21 2avy n SER 13 Cb 0.55 -2.19 -0.10 0.00 -0.26 0.00 0.00 64.21 62.21 2avy n SER 13 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2avy s SER 14 N -4.25 2.66 -0.27 4.04 0.01 -1.19 -0.55 113.70 114.15 2avy s SER 14 Ca 0.08 -1.03 -0.04 0.00 1.31 0.00 0.00 55.95 56.27 2avy s SER 14 Cb -0.04 -0.15 0.09 0.00 0.21 0.00 0.00 66.02 66.14 2avy s SER 14 CO 0.95 -0.16 0.12 0.00 0.41 0.00 0.00 173.24 174.56 2avy s ALA 15 N -2.94 0.69 0.10 1.44 0.00 -1.26 -4.10 121.76 115.69 2avy s ALA 15 Ca 0.23 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 2avy s ALA 15 Cb -0.01 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.69 2avy s ALA 15 CO 0.08 -1.58 0.40 0.00 0.00 0.00 0.00 175.76 174.66 2avy s ALA 16 N 2.06 3.74 -0.39 0.00 0.00 -0.22 -2.49 121.76 124.45 2avy s ALA 16 Ca 0.08 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.65 2avy s ALA 16 Cb -0.16 -2.24 0.16 0.00 0.00 0.00 0.00 23.12 20.88 2avy s ALA 16 CO -0.32 0.59 0.40 1.03 0.00 0.00 0.00 175.76 177.46 2avy s ARG 17 N -2.13 0.72 -0.14 0.00 0.52 -1.24 -4.29 118.95 112.38 2avy s ARG 17 Ca 0.35 -1.09 -0.04 0.00 -0.52 0.00 0.00 55.73 54.43 2avy s ARG 17 Cb -0.13 -0.79 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 2avy s ARG 17 CO 0.20 -1.24 0.01 0.08 0.02 0.00 0.00 175.30 174.37 2avy s VAL 18 N 1.15 4.34 -0.33 3.52 1.01 -1.23 -0.12 120.40 128.74 2avy s VAL 18 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 2avy s VAL 18 Cb -0.12 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.43 2avy s VAL 18 CO -0.05 0.52 0.04 -0.36 0.00 0.00 0.00 175.10 175.25 2avy s PHE 19 N -0.01 3.38 -0.33 5.22 0.08 -0.07 -3.15 117.98 123.09 2avy s PHE 19 Ca 0.03 -2.10 -0.24 0.00 0.12 0.00 0.00 56.93 54.74 2avy s PHE 19 Cb -0.13 -2.42 0.01 0.00 -0.57 0.00 0.00 43.02 39.91 2avy s PHE 19 CO 0.02 -0.86 0.85 0.42 -0.10 0.00 0.00 175.22 175.55 2avy s ILE 20 N 1.19 4.71 0.07 0.64 1.09 -1.09 -2.31 121.20 125.51 2avy s ILE 20 Ca -0.01 1.20 0.04 0.00 -1.10 0.00 0.00 60.65 60.78 2avy s ILE 20 Cb -0.20 -4.22 -0.04 0.00 -1.06 0.00 0.00 42.46 36.93 2avy s ILE 20 CO -0.02 -0.36 -0.00 -0.54 -0.10 0.00 0.00 174.94 173.92 2avy s LYS 21 N 3.16 2.59 -0.69 2.79 1.02 -0.91 -2.71 119.74 124.99 2avy s LYS 21 Ca 0.35 -0.80 -0.26 0.00 0.02 0.00 0.00 55.97 55.28 2avy s LYS 21 Cb -0.13 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 2avy s LYS 21 CO 0.15 0.56 1.79 -1.25 -0.92 0.00 0.00 175.35 175.67 2avy s PRO 22 N -2.17 2.71 0.00 -1.68 0.04 -1.26 0.11 135.00 132.75 2avy s PRO 22 Ca 0.25 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2avy s PRO 22 Cb -0.12 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 29.91 2avy s PRO 22 CO 0.17 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 174.86 2avy n GLY 23 N 5.90 2.13 1.85 0.56 0.00 -0.85 -4.85 105.19 109.93 2avy n GLY 23 Ca 0.22 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 2avy n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2avy n ASN 24 N 0.00 -3.59 -0.43 1.61 5.03 -1.25 -1.46 115.26 115.16 2avy n ASN 24 Ca 0.00 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.64 2avy n ASN 24 Cb 0.00 -2.17 0.00 0.00 -1.02 0.00 0.00 39.78 36.59 2avy n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2avy n GLY 25 N -0.33 0.44 3.76 7.41 0.00 -0.76 -2.82 105.19 112.89 2avy n GLY 25 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2avy n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2avy s LYS 26 N -1.13 4.63 -0.09 1.61 -2.85 -1.26 -4.76 119.74 115.89 2avy s LYS 26 Ca 0.00 1.59 0.02 0.00 -1.00 0.00 0.00 55.97 56.58 2avy s LYS 26 Cb 0.00 -3.07 0.01 0.00 -2.06 0.00 0.00 37.83 32.72 2avy s LYS 26 CO 0.00 0.27 -0.14 0.42 0.10 0.00 0.00 175.35 176.00 2avy s ILE 27 N -1.31 1.34 -0.03 3.79 1.01 -1.26 -2.36 121.20 122.39 2avy s ILE 27 Ca 0.46 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.55 2avy s ILE 27 Cb -0.27 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 40.99 2avy s ILE 27 CO 0.34 0.41 -0.04 -0.69 0.00 0.00 0.00 174.94 174.95 2avy s VAL 28 N 0.84 0.43 -0.34 2.92 1.01 -1.04 -3.50 120.40 120.71 2avy s VAL 28 Ca -0.10 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2avy s VAL 28 Cb -0.15 -0.44 0.10 0.00 0.00 0.00 0.00 36.38 35.89 2avy s VAL 28 CO 0.01 0.17 0.09 0.27 0.00 0.00 0.00 175.10 175.65 2avy s ILE 29 N 0.59 1.64 -0.78 2.22 -4.36 0.13 -0.97 121.20 119.67 2avy s ILE 29 Ca -0.07 -1.99 -0.01 0.00 -0.26 0.00 0.00 60.65 58.32 2avy s ILE 29 Cb -0.10 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 41.37 2avy s ILE 29 CO -0.00 -0.66 0.66 0.59 0.24 0.00 0.00 174.94 175.77 2avy n ASN 30 N 4.43 -2.96 -2.86 4.36 5.03 -1.17 -3.09 115.26 119.01 2avy n ASN 30 Ca 0.02 -0.44 -0.21 0.00 0.87 0.00 0.00 54.58 54.82 2avy n ASN 30 Cb 0.41 -3.64 0.03 0.00 -1.02 0.00 0.00 39.78 35.56 2avy n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2avy n GLN 31 N -2.98 -4.66 -3.89 3.52 6.02 -1.26 -4.99 117.38 109.13 2avy n GLN 31 Ca -0.15 0.87 -0.09 0.00 -0.01 0.00 0.00 57.00 57.62 2avy n GLN 31 Cb 0.60 -5.63 -0.07 0.00 1.02 0.00 0.00 30.24 26.16 2avy n GLN 31 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2avy s ARG 32 N -5.64 0.86 0.35 -1.09 0.52 -1.18 -5.14 118.95 107.64 2avy s ARG 32 Ca 0.29 -1.02 -0.21 0.00 -0.52 0.00 0.00 55.73 54.28 2avy s ARG 32 Cb -0.13 0.33 -0.10 0.00 0.52 0.00 0.00 34.95 35.58 2avy s ARG 32 CO 0.36 -0.27 0.87 0.45 0.02 0.00 0.00 175.30 176.72 2avy s SER 33 N -2.88 7.01 0.00 0.23 0.15 -1.26 0.20 113.70 117.15 2avy s SER 33 Ca 0.07 1.59 0.08 0.00 0.70 0.00 0.00 55.95 58.39 2avy s SER 33 Cb 0.05 -2.49 0.37 0.00 -1.71 0.00 0.00 66.02 62.24 2avy s SER 33 CO -0.09 -0.20 1.19 -0.11 1.20 0.00 0.00 173.24 175.23 2avy n LEU 34 N -0.11 0.00 -0.00 3.45 7.94 -1.23 -0.44 117.00 126.61 2avy n LEU 34 Ca 0.04 0.40 0.05 0.00 -1.11 0.00 0.00 56.01 55.39 2avy n LEU 34 Cb 0.52 -0.40 -0.08 0.00 0.53 0.00 0.00 43.42 44.00 2avy n LEU 34 CO 0.41 -0.29 -0.52 1.21 -1.11 0.00 0.00 177.39 177.08 2avy n GLU 35 N -1.40 0.88 0.00 1.96 4.07 -1.26 -0.99 120.64 123.90 2avy n GLU 35 Ca 0.03 -0.08 0.10 0.00 -0.06 0.00 0.00 57.16 57.15 2avy n GLU 35 Cb 0.08 -1.20 -0.05 0.00 -0.06 0.00 0.00 31.44 30.20 2avy n GLU 35 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2avy n GLN 36 N -1.76 0.76 -0.03 5.31 7.27 0.06 -2.92 117.38 126.07 2avy n GLN 36 Ca -0.01 -0.55 -0.05 0.00 0.07 0.00 0.00 57.00 56.46 2avy n GLN 36 Cb 0.25 -1.47 -0.03 0.00 2.41 0.00 0.00 30.24 31.40 2avy n GLN 36 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 2avy n TYR 37 N -0.67 0.00 -0.06 3.69 9.36 0.42 -4.78 117.16 125.12 2avy n TYR 37 Ca 0.07 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.18 2avy n TYR 37 Cb 0.40 -0.24 -0.04 0.00 -0.63 0.00 0.00 39.34 38.83 2avy n TYR 37 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2avy n PHE 38 N -2.76 0.00 -0.91 2.98 0.99 -1.24 -5.04 117.46 111.48 2avy n PHE 38 Ca -0.11 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 56.98 2avy n PHE 38 Cb 0.61 -0.41 -0.05 0.00 -1.00 0.00 0.00 39.48 38.63 2avy n PHE 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2avy n GLY 39 N 2.48 -0.14 2.06 1.37 0.00 -0.16 -2.26 105.19 108.54 2avy n GLY 39 Ca -0.21 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 2avy n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2avy n ARG 40 N 1.05 -2.87 0.00 1.61 1.74 -1.26 -4.70 116.66 112.23 2avy n ARG 40 Ca 0.13 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 2avy n ARG 40 Cb 0.04 -3.93 0.00 0.00 -1.02 0.00 0.00 32.46 27.55 2avy n ARG 40 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2avy n GLU 41 N -2.34 3.99 -0.05 5.56 4.07 -0.96 -5.05 120.64 125.87 2avy n GLU 41 Ca -0.11 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.87 2avy n GLU 41 Cb 0.57 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.89 2avy n GLU 41 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2avy h THR 42 N 0.00 1.26 0.00 6.31 1.35 -1.97 -3.43 112.91 116.43 2avy h THR 42 Ca 0.00 -0.88 -0.03 0.00 -0.55 0.00 0.00 66.41 64.95 2avy h THR 42 Cb 0.00 1.56 -0.04 0.00 -1.73 0.00 0.00 68.15 67.94 2avy h THR 42 CO 0.00 0.26 0.15 0.00 -0.25 0.00 0.00 175.52 175.68 2avy n ALA 43 N -2.32 -2.50 0.37 6.62 0.00 -1.26 -5.01 120.51 116.41 2avy n ALA 43 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2avy n ALA 43 Cb 0.23 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2avy n ALA 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2avy n ARG 44 N -0.27 0.37 -0.07 0.00 -4.01 -1.26 -3.33 116.66 108.09 2avy n ARG 44 Ca -0.17 0.00 0.10 0.00 -1.04 0.00 0.00 57.85 56.74 2avy n ARG 44 Cb 0.56 -1.30 0.39 0.00 -3.04 0.00 0.00 32.46 29.07 2avy n ARG 44 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 2avy n MET 45 N 0.74 1.62 0.08 2.89 0.00 -1.26 -3.75 117.12 117.45 2avy n MET 45 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 57.70 56.62 2avy n MET 45 Cb 0.17 -1.37 -0.14 0.00 0.00 0.00 0.00 33.22 31.88 2avy n MET 45 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 2avy h VAL 46 N 1.87 1.45 -0.25 2.03 -1.51 -1.92 -3.04 116.25 114.88 2avy h VAL 46 Ca 0.00 -3.06 0.03 0.00 -1.23 0.00 0.00 66.70 62.44 2avy h VAL 46 Cb 0.41 2.87 -0.03 0.00 -2.13 0.00 0.00 31.29 32.41 2avy h VAL 46 CO 0.00 0.88 0.05 -0.37 -1.23 0.00 0.00 177.57 176.90 2avy h VAL 47 N 0.06 0.88 -0.36 7.19 -1.51 -1.79 -1.37 116.25 119.36 2avy h VAL 47 Ca -0.14 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 2avy h VAL 47 Cb 1.95 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 2avy h VAL 47 CO 0.18 0.03 0.00 -2.11 -1.23 0.00 0.00 177.57 174.43 2avy n ARG 48 N -5.09 1.87 0.25 5.19 1.85 -1.25 -4.31 116.66 115.16 2avy n ARG 48 Ca -0.01 -1.30 -0.13 0.00 -1.00 0.00 0.00 57.85 55.40 2avy n ARG 48 Cb 0.11 -1.30 -0.07 0.00 -1.05 0.00 0.00 32.46 30.15 2avy n ARG 48 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2avy h GLN 49 N 2.10 -0.64 0.00 2.89 4.15 -1.12 -2.57 115.11 119.92 2avy h GLN 49 Ca 0.00 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2avy h GLN 49 Cb 0.51 0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.34 2avy h GLN 49 CO 0.01 -0.34 -0.04 -1.00 -1.93 0.00 0.00 178.83 175.53 2avy h PRO 50 N -1.04 0.00 0.45 -2.39 0.13 -1.75 0.32 132.00 127.71 2avy h PRO 50 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2avy h PRO 50 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2avy h PRO 50 CO 0.11 0.04 -0.22 -0.07 -0.23 0.00 0.00 178.00 177.63 2avy h LEU 51 N 0.00 -0.51 -2.11 1.56 4.07 -1.79 -2.98 115.31 113.55 2avy h LEU 51 Ca -0.00 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 2avy h LEU 51 Cb 0.07 0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 2avy h LEU 51 CO 0.00 -0.34 -0.02 -0.33 -1.08 0.00 0.00 178.44 176.68 2avy h GLU 52 N -0.65 0.00 -0.05 1.13 5.08 -1.33 -1.75 114.58 117.01 2avy h GLU 52 Ca -0.06 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2avy h GLU 52 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2avy h GLU 52 CO 0.10 0.02 0.59 1.25 -1.00 0.00 0.00 179.01 179.97 2avy h LEU 53 N 0.00 0.00 -5.37 1.33 7.12 -0.76 -0.60 115.31 117.02 2avy h LEU 53 Ca -0.00 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.76 2avy h LEU 53 Cb 0.03 0.00 -0.40 0.00 -0.53 0.00 0.00 40.66 39.77 2avy h LEU 53 CO 0.00 0.00 -1.11 1.33 -0.13 0.00 0.00 178.44 178.53 2avy n VAL 54 N -2.80 1.21 -2.64 1.05 0.24 -0.66 -5.08 118.33 109.66 2avy n VAL 54 Ca -0.00 -2.90 -0.05 0.00 -2.04 0.00 0.00 64.34 59.35 2avy n VAL 54 Cb 0.64 1.23 -0.04 0.00 -1.47 0.00 0.00 33.84 34.20 2avy n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2avy n ASP 55 N -0.56 -1.35 0.00 -1.34 8.00 -0.23 -5.07 116.55 116.00 2avy n ASP 55 Ca 0.07 1.34 0.00 0.00 0.71 0.00 0.00 54.79 56.91 2avy n ASP 55 Cb 0.80 -5.08 0.00 0.00 -0.02 0.00 0.00 41.12 36.82 2avy n ASP 55 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2avy n MET 56 N 1.68 0.56 0.00 -1.24 0.00 -1.24 -4.69 117.12 112.19 2avy n MET 56 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.33 2avy n MET 56 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.80 2avy n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2avy n VAL 57 N 0.00 0.00 0.81 3.17 0.31 -1.26 -2.26 118.33 119.10 2avy n VAL 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2avy n VAL 57 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2avy n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2avy n GLU 58 N 0.00 0.81 0.00 5.55 0.00 -1.26 -1.84 120.64 123.90 2avy n GLU 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2avy n GLU 58 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 31.44 30.08 2avy n GLU 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2avy n LYS 59 N 0.16 0.00 -1.29 3.44 4.81 -0.96 -4.92 118.16 119.40 2avy n LYS 59 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2avy n LYS 59 Cb 0.23 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.28 2avy n LYS 59 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2avy n LEU 60 N -0.92 0.00 -4.49 3.14 -0.00 -1.26 -2.01 117.00 111.46 2avy n LEU 60 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.74 2avy n LEU 60 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2avy n LEU 60 CO 0.00 0.00 -0.48 -0.62 -0.00 0.00 0.00 177.39 176.29 2avy s ASP 61 N -0.29 3.80 -0.24 1.45 -1.08 0.30 -1.92 116.67 118.69 2avy s ASP 61 Ca 0.00 -0.72 -0.02 0.00 -0.52 0.00 0.00 52.55 51.29 2avy s ASP 61 Cb 0.00 -0.47 0.07 0.00 -1.46 0.00 0.00 42.92 41.07 2avy s ASP 61 CO 0.00 0.12 0.04 -0.76 0.52 0.00 0.00 175.17 175.10 2avy s LEU 62 N -2.67 1.69 -0.38 -1.34 2.01 -0.99 -2.14 118.68 114.86 2avy s LEU 62 Ca 0.22 -1.14 -0.01 0.00 0.01 0.00 0.00 54.13 53.21 2avy s LEU 62 Cb -0.09 -0.75 0.10 0.00 0.01 0.00 0.00 46.19 45.46 2avy s LEU 62 CO 0.12 -0.33 0.14 -0.47 1.01 0.00 0.00 176.35 176.81 2avy s TYR 63 N 1.73 3.58 0.28 0.29 5.04 -0.98 -2.49 117.35 124.80 2avy s TYR 63 Ca 0.02 -2.48 0.06 0.00 -2.44 0.00 0.00 57.07 52.23 2avy s TYR 63 Cb -0.17 -3.00 -0.03 0.00 0.35 0.00 0.00 41.96 39.11 2avy s TYR 63 CO -0.14 -0.94 0.35 0.42 -1.34 0.00 0.00 175.55 173.90 2avy s ILE 64 N 1.10 4.63 -0.47 3.14 1.01 -0.14 -0.89 121.20 129.57 2avy s ILE 64 Ca 0.07 -1.11 0.06 0.00 0.00 0.00 0.00 60.65 59.67 2avy s ILE 64 Cb -0.22 -3.59 0.19 0.00 0.01 0.00 0.00 42.46 38.86 2avy s ILE 64 CO -0.05 -0.27 0.61 0.41 0.00 0.00 0.00 174.94 175.64 2avy n THR 65 N -1.42 -0.44 -3.98 2.92 -1.04 0.83 -3.04 114.28 108.11 2avy n THR 65 Ca -0.06 -2.04 -0.24 0.00 -2.04 0.00 0.00 64.05 59.67 2avy n THR 65 Cb 0.58 -0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.06 2avy n THR 65 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2avy s VAL 66 N 0.45 5.16 -0.36 12.58 0.11 -1.26 -3.70 120.40 133.37 2avy s VAL 66 Ca 0.32 -0.87 -0.03 0.00 -2.93 0.00 0.00 61.98 58.46 2avy s VAL 66 Cb 0.05 -3.71 0.24 0.00 -1.53 0.00 0.00 36.38 31.43 2avy s VAL 66 CO -0.12 -0.19 1.12 2.29 -3.33 0.00 0.00 175.10 174.86 2avy n LYS 67 N -0.85 0.20 -3.47 1.54 2.85 -1.04 -4.88 118.16 112.50 2avy n LYS 67 Ca -0.08 -0.91 0.02 0.00 -1.05 0.00 0.00 58.31 56.29 2avy n LYS 67 Cb 0.55 -0.27 -0.05 0.00 -0.65 0.00 0.00 35.03 34.61 2avy n LYS 67 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2avy s GLY 68 N 0.21 0.39 0.00 2.58 0.00 -1.26 -4.52 107.32 104.71 2avy s GLY 68 Ca 0.26 3.65 0.00 0.00 0.00 0.00 0.00 44.72 48.63 2avy s GLY 68 CO -0.10 2.99 0.00 0.61 0.00 0.00 0.00 173.10 176.60 2avy n GLY 69 N 3.79 -1.49 0.95 0.20 0.00 0.28 -3.84 105.19 105.08 2avy n GLY 69 Ca -0.13 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.25 2avy n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avy n GLY 70 N -1.81 -1.24 0.00 -0.02 0.00 -1.26 -4.40 105.19 96.47 2avy n GLY 70 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2avy n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2avy n ILE 71 N -2.46 0.00 -0.23 -0.61 -0.00 -1.26 0.72 119.36 115.53 2avy n ILE 71 Ca 0.04 1.03 -0.06 0.00 -0.00 0.00 0.00 62.75 63.76 2avy n ILE 71 Cb 0.14 -1.62 -0.05 0.00 -0.00 0.00 0.00 39.64 38.12 2avy n ILE 71 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2avy n SER 72 N -1.02 -0.56 0.26 4.38 7.64 -1.26 0.19 113.62 123.24 2avy n SER 72 Ca 0.00 0.96 -0.15 0.00 1.01 0.00 0.00 58.87 60.69 2avy n SER 72 Cb 0.00 -0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 62.99 2avy n SER 72 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2avy h GLY 73 N 0.00 -0.68 0.92 0.23 0.00 -1.81 0.26 103.07 102.00 2avy h GLY 73 Ca 0.09 0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.77 2avy h GLY 73 CO -0.51 -0.25 0.44 -1.61 0.00 0.00 0.00 176.54 174.62 2avy h GLN 74 N -0.88 0.00 0.04 4.80 4.15 0.21 0.90 115.11 124.34 2avy h GLN 74 Ca -0.07 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.08 2avy h GLN 74 Cb 0.59 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 2avy h GLN 74 CO 0.11 0.00 -1.49 0.00 -1.93 0.00 0.00 178.83 175.52 2avy h ALA 75 N 1.44 0.50 -0.12 3.38 0.00 -0.00 -3.26 119.26 121.20 2avy h ALA 75 Ca 0.16 -1.21 -0.17 0.00 0.00 0.00 0.00 54.91 53.68 2avy h ALA 75 Cb 1.05 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2avy h ALA 75 CO -0.00 1.36 -0.66 0.78 0.00 0.00 0.00 179.25 180.73 2avy h GLY 76 N 2.72 0.50 0.96 0.00 0.00 0.28 -2.91 103.07 104.62 2avy h GLY 76 Ca -0.21 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.46 2avy h GLY 76 CO 0.12 0.58 -0.18 0.00 0.00 0.00 0.00 176.54 177.05 2avy h ALA 77 N 0.96 -0.51 -0.36 3.60 0.00 -0.61 -2.31 119.26 120.03 2avy h ALA 77 Ca -0.02 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2avy h ALA 77 Cb 1.21 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 2avy h ALA 77 CO 0.12 -0.76 -0.15 0.82 0.00 0.00 0.00 179.25 179.27 2avy h ILE 78 N -0.56 0.51 -0.97 0.00 2.04 -1.60 0.13 117.51 117.05 2avy h ILE 78 Ca -0.05 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.00 2avy h ILE 78 Cb 0.42 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 2avy h ILE 78 CO 0.09 0.00 0.61 -0.09 0.00 0.00 0.00 178.15 178.76 2avy h ARG 79 N -0.09 0.61 -0.16 2.37 2.43 -1.38 0.39 114.38 118.57 2avy h ARG 79 Ca 0.18 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2avy h ARG 79 Cb 0.36 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2avy h ARG 79 CO -0.42 0.41 -0.21 1.25 -1.51 0.00 0.00 179.97 179.48 2avy h HIS 80 N 0.63 0.52 -0.21 2.20 2.76 -0.28 -1.94 115.15 118.83 2avy h HIS 80 Ca 0.54 -0.17 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 2avy h HIS 80 Cb 1.01 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 2avy h HIS 80 CO -0.00 0.83 0.09 0.78 -1.30 0.00 0.00 177.93 178.33 2avy h GLY 81 N 0.05 0.34 0.84 5.26 0.00 0.10 -1.01 103.07 108.66 2avy h GLY 81 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2avy h GLY 81 CO 0.05 0.17 -0.46 -2.22 0.00 0.00 0.00 176.54 174.08 2avy h ILE 82 N 0.20 0.00 -1.00 2.60 2.04 -0.36 0.55 117.51 121.55 2avy h ILE 82 Ca 0.07 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.15 2avy h ILE 82 Cb 0.15 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.13 2avy h ILE 82 CO -0.01 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.76 2avy h THR 83 N -1.20 0.62 -0.47 -0.27 1.03 -1.38 0.57 112.91 111.81 2avy h THR 83 Ca -0.11 -0.21 -0.09 0.00 -0.01 0.00 0.00 66.41 65.99 2avy h THR 83 Cb 0.94 -0.04 -0.02 0.00 -1.07 0.00 0.00 68.15 67.97 2avy h THR 83 CO 0.15 0.11 -0.04 -0.09 -0.01 0.00 0.00 175.52 175.64 2avy h ARG 84 N 0.61 0.86 0.49 0.00 9.65 -0.74 -3.18 114.38 122.06 2avy h ARG 84 Ca 0.59 -0.29 -0.02 0.00 -1.10 0.00 0.00 59.98 59.15 2avy h ARG 84 Cb 1.14 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2avy h ARG 84 CO -0.37 0.92 -0.23 0.00 2.80 0.00 0.00 179.97 183.10 2avy h ALA 85 N 0.90 -0.65 -1.03 2.80 0.00 0.53 -2.96 119.26 118.86 2avy h ALA 85 Ca 0.13 -0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.14 2avy h ALA 85 Cb 0.56 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 2avy h ALA 85 CO 0.03 -0.83 0.65 -0.07 0.00 0.00 0.00 179.25 179.04 2avy h LEU 86 N -0.73 0.52 -2.08 0.00 -0.00 -1.03 0.51 115.31 112.49 2avy h LEU 86 Ca -0.07 0.10 0.09 0.00 -0.00 0.00 0.00 57.88 58.00 2avy h LEU 86 Cb 0.54 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2avy h LEU 86 CO 0.11 0.09 0.34 -0.03 -0.00 0.00 0.00 178.44 178.95 2avy h MET 87 N 0.45 0.00 -0.00 1.13 4.05 -1.49 -0.79 114.93 118.28 2avy h MET 87 Ca 0.61 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 60.02 2avy h MET 87 Cb 1.42 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.22 2avy h MET 87 CO -0.35 0.00 -0.06 0.93 0.23 0.00 0.00 176.91 177.66 2avy h GLU 88 N 0.00 0.05 -0.06 0.39 5.08 -0.06 -1.79 114.58 118.18 2avy h GLU 88 Ca 0.14 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2avy h GLU 88 Cb 0.82 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2avy h GLU 88 CO -0.00 0.78 0.07 -0.92 -1.00 0.00 0.00 179.01 177.94 2avy h TYR 89 N -0.67 0.00 -1.47 4.33 3.20 -1.19 -3.36 116.97 117.81 2avy h TYR 89 Ca -0.01 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 2avy h TYR 89 Cb 0.80 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 38.81 2avy h TYR 89 CO 0.18 0.00 -0.47 0.34 -1.64 0.00 0.00 178.16 176.58 2avy s ASP 90 N -5.95 -0.33 -0.03 -2.11 3.68 -0.72 -5.02 116.67 106.19 2avy s ASP 90 Ca -0.05 -0.07 0.00 0.00 2.13 0.00 0.00 52.55 54.57 2avy s ASP 90 Cb 0.15 1.45 0.05 0.00 -1.45 0.00 0.00 42.92 43.12 2avy s ASP 90 CO 0.53 -0.33 1.02 -0.62 0.13 0.00 0.00 175.17 175.91 2avy n GLU 91 N 5.38 1.12 -1.29 4.34 -0.58 -0.68 -3.50 120.64 125.44 2avy n GLU 91 Ca 0.01 -0.24 0.04 0.00 -0.42 0.00 0.00 57.16 56.55 2avy n GLU 91 Cb 0.51 -1.14 0.08 0.00 -0.57 0.00 0.00 31.44 30.32 2avy n GLU 91 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2avy n SER 92 N 0.34 1.35 -0.06 1.62 2.88 -1.26 -4.71 113.62 113.77 2avy n SER 92 Ca 0.05 -2.66 0.01 0.00 -1.33 0.00 0.00 58.87 54.94 2avy n SER 92 Cb 0.57 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.66 2avy n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2avy n LEU 93 N -0.10 0.91 -0.06 2.46 -0.00 -1.23 -4.84 117.00 114.14 2avy n LEU 93 Ca 0.11 -1.08 -0.09 0.00 -0.00 0.00 0.00 56.01 54.96 2avy n LEU 93 Cb 0.98 -0.04 -0.02 0.00 -0.00 0.00 0.00 43.42 44.35 2avy n LEU 93 CO -0.02 0.26 0.93 -0.09 -0.00 0.00 0.00 177.39 178.47 2avy h ARG 94 N 0.00 0.22 -0.54 1.47 2.43 -1.84 -2.81 114.38 113.31 2avy h ARG 94 Ca 0.00 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.26 2avy h ARG 94 Cb 0.87 -0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.26 2avy h ARG 94 CO 0.00 0.15 -0.23 0.77 -1.51 0.00 0.00 179.97 179.15 2avy h SER 95 N 0.23 -0.80 0.50 -3.80 0.02 -1.97 0.25 113.55 107.97 2avy h SER 95 Ca 0.11 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2avy h SER 95 Cb 0.05 0.44 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2avy h SER 95 CO -0.09 -0.25 -0.51 -0.33 -1.14 0.00 0.00 176.83 174.51 2avy h GLU 96 N -0.10 -0.97 -0.70 3.45 4.39 -1.88 0.23 114.58 119.01 2avy h GLU 96 Ca 0.25 0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.03 2avy h GLU 96 Cb 0.49 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 2avy h GLU 96 CO -0.61 -0.65 0.46 -0.07 -1.16 0.00 0.00 179.01 176.99 2avy h LEU 97 N -1.00 0.78 -0.79 1.33 -0.00 -1.24 -2.08 115.31 112.31 2avy h LEU 97 Ca -0.06 -0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 57.71 2avy h LEU 97 Cb 0.87 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 2avy h LEU 97 CO -0.07 0.56 -0.04 -0.09 -0.00 0.00 0.00 178.44 178.80 2avy h ARG 98 N 0.92 0.87 -0.54 1.13 2.43 -0.24 -2.38 114.38 116.57 2avy h ARG 98 Ca 0.26 -0.27 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2avy h ARG 98 Cb -0.06 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.32 2avy h ARG 98 CO -0.06 0.90 0.01 -0.22 -1.51 0.00 0.00 179.97 179.08 2avy h LYS 99 N 0.80 0.12 -0.54 0.20 3.11 -0.22 -0.87 116.57 119.17 2avy h LYS 99 Ca 0.14 -0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.86 2avy h LYS 99 Cb 0.54 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 2avy h LYS 99 CO 0.03 0.08 -0.11 0.00 -2.81 0.00 0.00 179.45 176.64 2avy h ALA 100 N 1.48 0.78 0.00 5.00 0.00 -1.47 -3.47 119.26 121.59 2avy h ALA 100 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2avy h ALA 100 Cb 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2avy h ALA 100 CO -0.45 0.67 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2avy n GLY 101 N -0.28 1.72 0.13 0.00 0.00 -0.33 -5.04 105.19 101.39 2avy n GLY 101 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 2avy n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2avy n PHE 102 N -0.41 0.58 -0.14 1.61 0.99 -1.04 -4.27 117.46 114.77 2avy n PHE 102 Ca 0.00 0.13 0.27 0.00 -0.00 0.00 0.00 57.45 57.85 2avy n PHE 102 Cb 0.00 -1.07 0.72 0.00 -1.00 0.00 0.00 39.48 38.13 2avy n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 2avy h VAL 103 N -0.07 0.58 -3.49 -4.37 -1.51 -1.88 -3.41 116.25 102.10 2avy h VAL 103 Ca -0.51 0.00 -0.51 0.00 -1.23 0.00 0.00 66.70 64.44 2avy h VAL 103 Cb 1.92 0.59 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 2avy h VAL 103 CO -0.04 0.00 -0.03 0.42 -1.23 0.00 0.00 177.57 176.69 2avy s THR 104 N -4.97 4.88 0.16 7.19 -4.23 -1.26 -5.00 115.64 112.41 2avy s THR 104 Ca -0.05 0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.97 2avy s THR 104 Cb 0.21 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 2avy s THR 104 CO 0.76 -0.26 0.29 -0.60 -0.54 0.00 0.00 174.62 174.26 2avy s ARG 105 N -3.28 3.43 -1.31 3.99 3.00 -1.26 -5.00 118.95 118.51 2avy s ARG 105 Ca 0.49 -0.62 -0.16 0.00 -1.00 0.00 0.00 55.73 54.44 2avy s ARG 105 Cb -0.11 -2.95 0.09 0.00 0.00 0.00 0.00 34.95 31.98 2avy s ARG 105 CO 0.25 0.51 1.79 -0.25 0.00 0.00 0.00 175.30 177.61 2avy n ASP 106 N -0.61 4.79 0.19 -2.12 10.43 -1.26 -4.77 116.55 123.20 2avy n ASP 106 Ca -0.07 -2.93 0.18 0.00 2.57 0.00 0.00 54.79 54.54 2avy n ASP 106 Cb 0.54 -1.68 0.76 0.00 1.84 0.00 0.00 41.12 42.58 2avy n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2avy h ALA 107 N 7.06 1.81 -0.26 2.24 0.00 -1.95 -3.38 119.26 124.78 2avy h ALA 107 Ca 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2avy h ALA 107 Cb 0.81 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2avy h ALA 107 CO 1.52 -0.53 0.05 -0.98 0.00 0.00 0.00 179.25 179.31 2avy s ARG 108 N -4.40 1.44 0.34 0.00 1.70 -1.26 -4.89 118.95 111.87 2avy s ARG 108 Ca -0.04 0.08 -0.02 0.00 -0.47 0.00 0.00 55.73 55.28 2avy s ARG 108 Cb 0.13 -4.87 0.07 0.00 -0.57 0.00 0.00 34.95 29.70 2avy s ARG 108 CO 0.43 -4.88 0.46 1.04 -1.08 0.00 0.00 175.30 171.27 2avy n GLN 109 N 8.55 0.08 -0.34 3.89 1.13 -1.26 -4.81 117.38 124.62 2avy n GLN 109 Ca 0.44 -1.08 -0.13 0.00 -1.94 0.00 0.00 57.00 54.30 2avy n GLN 109 Cb 0.45 -0.36 0.11 0.00 0.11 0.00 0.00 30.24 30.55 2avy n GLN 109 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2avy n VAL 110 N -2.21 0.00 -4.30 5.09 0.31 -1.26 -5.07 118.33 110.89 2avy n VAL 110 Ca 0.07 -0.14 -0.21 0.00 -0.01 0.00 0.00 64.34 64.04 2avy n VAL 110 Cb 0.25 -0.89 -0.11 0.00 -0.91 0.00 0.00 33.84 32.17 2avy n VAL 110 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2avy s GLU 111 N -4.00 1.19 -0.13 5.55 2.56 -1.26 -5.14 118.70 117.48 2avy s GLU 111 Ca 0.30 -1.32 -0.11 0.00 0.00 0.00 0.00 54.97 53.83 2avy s GLU 111 Cb -0.04 -1.25 -0.05 0.00 2.00 0.00 0.00 34.13 34.80 2avy s GLU 111 CO 0.23 0.26 0.24 -0.98 -0.56 0.00 0.00 175.26 174.45 2avy s ARG 112 N -2.58 3.95 1.10 4.30 1.70 -1.26 -5.03 118.95 121.13 2avy s ARG 112 Ca 0.12 0.03 -0.12 0.00 -0.47 0.00 0.00 55.73 55.29 2avy s ARG 112 Cb -0.06 -3.32 0.25 0.00 -0.57 0.00 0.00 34.95 31.24 2avy s ARG 112 CO 0.05 0.48 1.05 0.21 -1.08 0.00 0.00 175.30 176.02 2avy s LYS 113 N -0.26 -0.40 -0.03 3.89 2.20 -1.26 -4.49 119.74 119.40 2avy s LYS 113 Ca 0.16 0.90 -0.04 0.00 -0.36 0.00 0.00 55.97 56.63 2avy s LYS 113 Cb -0.13 -1.61 0.01 0.00 -1.51 0.00 0.00 37.83 34.59 2avy s LYS 113 CO 0.05 -3.39 0.10 0.15 -0.36 0.00 0.00 175.35 171.89 2avy s LYS 114 N -4.57 0.18 0.51 4.03 1.02 -1.26 -4.75 119.74 114.89 2avy s LYS 114 Ca 0.68 0.04 -0.23 0.00 0.02 0.00 0.00 55.97 56.47 2avy s LYS 114 Cb -0.24 0.08 -0.06 0.00 -0.52 0.00 0.00 37.83 37.09 2avy s LYS 114 CO 0.62 -0.03 1.40 0.54 -0.92 0.00 0.00 175.35 176.97 2avy s VAL 115 N -0.20 2.02 0.00 3.17 0.11 -1.26 -2.13 120.40 122.10 2avy s VAL 115 Ca -0.03 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2avy s VAL 115 Cb -0.02 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2avy s VAL 115 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 2avy n GLY 116 N 0.66 2.34 2.66 6.54 0.00 -1.26 -4.98 105.19 111.15 2avy n GLY 116 Ca 0.08 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 2avy n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2avy n LEU 117 N 0.00 0.00 -0.00 0.99 4.77 -0.91 -4.64 117.00 117.21 2avy n LEU 117 Ca 0.00 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 2avy n LEU 117 Cb 0.00 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2avy n LEU 117 CO 0.00 -0.95 -0.05 -1.14 -1.33 0.00 0.00 177.39 173.91 2avy n ARG 118 N -2.52 6.08 -2.69 3.23 0.63 -0.69 -4.85 116.66 115.85 2avy n ARG 118 Ca 0.11 -0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.98 2avy n ARG 118 Cb 0.40 -0.58 0.09 0.00 0.45 0.00 0.00 32.46 32.81 2avy n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2avy n LYS 119 N -1.07 0.89 0.00 -0.14 4.81 -1.23 -4.96 118.16 116.46 2avy n LYS 119 Ca 0.00 -1.54 0.00 0.00 -0.87 0.00 0.00 58.31 55.90 2avy n LYS 119 Cb 0.01 -0.23 0.00 0.00 0.02 0.00 0.00 35.03 34.83 2avy n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2avy n ALA 120 N -0.32 0.00 0.00 3.14 0.00 -1.26 -3.71 120.51 118.36 2avy n ALA 120 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2avy n ALA 120 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.22 2avy n ALA 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2avy n ARG 121 N -0.62 0.00 -1.55 0.00 3.00 -1.26 -4.65 116.66 111.59 2avy n ARG 121 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.51 2avy n ARG 121 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 32.46 32.24 2avy n ARG 121 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2avy n ARG 122 N -2.06 0.88 -2.75 -0.14 0.63 -1.24 -4.88 116.66 107.10 2avy n ARG 122 Ca 0.00 -0.08 -0.37 0.00 -0.92 0.00 0.00 57.85 56.48 2avy n ARG 122 Cb 0.00 -3.26 -0.06 0.00 0.45 0.00 0.00 32.46 29.59 2avy n ARG 122 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2avy s ARG 123 N 8.41 4.56 0.41 -0.14 0.52 -1.26 -1.70 118.95 129.75 2avy s ARG 123 Ca 1.02 1.36 -0.26 0.00 -0.52 0.00 0.00 55.73 57.33 2avy s ARG 123 Cb -0.28 -2.80 -0.09 0.00 0.52 0.00 0.00 34.95 32.29 2avy s ARG 123 CO 0.27 0.25 1.37 -1.25 0.02 0.00 0.00 175.30 175.96 2avy s PRO 124 N -2.05 3.93 0.58 3.54 0.04 -1.26 -4.91 135.00 134.87 2avy s PRO 124 Ca 0.50 2.32 -0.14 0.00 0.04 0.00 0.00 61.00 63.72 2avy s PRO 124 Cb -0.19 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 2avy s PRO 124 CO 0.25 -0.58 1.02 1.14 0.04 0.00 0.00 177.00 178.87 2avy s GLN 125 N -2.25 3.60 -0.42 4.56 -2.07 -1.26 -5.02 119.66 116.81 2avy s GLN 125 Ca 0.57 0.94 0.09 0.00 -1.82 0.00 0.00 55.36 55.13 2avy s GLN 125 Cb -0.41 -2.08 0.33 0.00 -1.09 0.00 0.00 33.01 29.75 2avy s GLN 125 CO 0.54 -0.56 0.91 1.97 -1.32 0.00 0.00 175.29 176.83 2avy n PHE 126 N -2.22 -1.40 -0.16 9.60 1.16 -1.26 -5.00 117.46 118.18 2avy n PHE 126 Ca 0.07 -2.95 0.15 0.00 -1.87 0.00 0.00 57.45 52.86 2avy n PHE 126 Cb 0.54 0.62 0.28 0.00 -1.61 0.00 0.00 39.48 39.30 2avy n PHE 126 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2avy n SER 127 N 0.40 0.14 -4.38 5.98 7.64 -1.26 -3.63 113.62 118.51 2avy n SER 127 Ca 0.15 0.72 -0.38 0.00 1.01 0.00 0.00 58.87 60.38 2avy n SER 127 Cb 0.67 -0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 63.40 2avy n SER 127 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2avy s LYS 128 N -4.61 3.17 0.00 1.43 2.47 -1.26 -5.37 119.74 115.56 2avy s LYS 128 Ca -0.04 -0.82 0.00 0.00 -1.56 0.00 0.00 55.97 53.55 2avy s LYS 128 Cb 0.15 -3.47 0.00 0.00 -1.46 0.00 0.00 37.83 33.06 2avy s LYS 128 CO 0.36 -0.45 0.00 0.54 0.16 0.00 0.00 175.35 175.96