#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9t s ARG 3 N 0.00 1.34 0.00 0.00 0.52 -1.25 -4.41 118.95 115.15 2x9t s ARG 3 Ca 0.00 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 2x9t s ARG 3 Cb 0.00 -4.93 0.00 0.00 0.52 0.00 0.00 34.95 30.54 2x9t s ARG 3 CO 0.00 -5.14 0.00 -0.89 0.02 0.00 0.00 175.30 169.29 2x9t n ILE 4 N 8.93 0.00 -2.25 1.52 5.41 -1.02 -4.87 119.36 127.08 2x9t n ILE 4 Ca 0.43 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.86 2x9t n ILE 4 Cb 0.46 -0.35 -0.02 0.00 -0.71 0.00 0.00 39.64 39.02 2x9t n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2x9t s ALA 5 N -2.57 2.99 0.00 -1.39 0.00 -1.26 -4.87 121.76 114.66 2x9t s ALA 5 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 2x9t s ALA 5 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2x9t s ALA 5 CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2x9t n GLY 6 N -1.56 0.97 3.16 0.00 0.00 -1.26 -2.90 105.19 103.59 2x9t n GLY 6 Ca 0.07 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2x9t n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2x9t n VAL 7 N 0.00 3.94 -3.71 1.61 0.31 -1.26 -4.93 118.33 114.28 2x9t n VAL 7 Ca 0.00 -5.34 -0.24 0.00 -0.01 0.00 0.00 64.34 58.75 2x9t n VAL 7 Cb 0.00 -2.41 -0.17 0.00 -0.91 0.00 0.00 33.84 30.34 2x9t n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2x9t s GLU 8 N -1.59 0.37 -0.64 5.55 2.02 -1.14 -5.06 118.70 118.19 2x9t s GLU 8 Ca 0.30 0.02 0.06 0.00 0.02 0.00 0.00 54.97 55.37 2x9t s GLU 8 Cb -0.06 -1.28 0.24 0.00 0.10 0.00 0.00 34.13 33.14 2x9t s GLU 8 CO -0.07 -0.45 0.71 -0.89 0.02 0.00 0.00 175.26 174.58 2x9t n ILE 9 N 5.18 2.22 -2.66 -1.63 -0.00 -1.26 -2.43 119.36 118.78 2x9t n ILE 9 Ca -0.07 -5.16 -0.38 0.00 -0.00 0.00 0.00 62.75 57.15 2x9t n ILE 9 Cb 0.49 -2.11 -0.05 0.00 -0.00 0.00 0.00 39.64 37.97 2x9t n ILE 9 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2x9t s PRO 10 N -2.33 4.56 0.10 0.38 0.04 -1.26 -4.51 135.00 131.98 2x9t s PRO 10 Ca 0.38 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.92 2x9t s PRO 10 Cb 0.12 -2.91 -0.00 0.00 0.04 0.00 0.00 34.50 31.75 2x9t s PRO 10 CO -0.03 0.22 0.11 0.54 0.04 0.00 0.00 177.00 177.87 2x9t n ARG 11 N 0.72 0.15 -0.40 4.56 1.74 -1.26 -4.17 116.66 118.01 2x9t n ARG 11 Ca 0.01 -0.90 -0.01 0.00 -0.77 0.00 0.00 57.85 56.19 2x9t n ARG 11 Cb 0.48 0.79 -0.00 0.00 -1.02 0.00 0.00 32.46 32.71 2x9t n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2x9t n ASN 12 N -2.36 -1.84 -4.30 0.55 3.02 -1.26 -4.87 115.26 104.20 2x9t n ASN 12 Ca 0.01 0.02 -0.16 0.00 -0.03 0.00 0.00 54.58 54.42 2x9t n ASN 12 Cb 0.17 -1.47 -0.10 0.00 -0.61 0.00 0.00 39.78 37.77 2x9t n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2x9t s LYS 13 N -0.82 1.23 0.28 3.52 1.02 -1.26 -4.99 119.74 118.72 2x9t s LYS 13 Ca 0.00 -1.59 -0.30 0.00 0.02 0.00 0.00 55.97 54.11 2x9t s LYS 13 Cb 0.00 -0.65 -0.13 0.00 -0.52 0.00 0.00 37.83 36.54 2x9t s LYS 13 CO 0.00 -0.02 1.42 0.54 -0.92 0.00 0.00 175.35 176.37 2x9t n ARG 14 N -0.33 2.22 0.00 1.68 1.74 -1.24 -3.30 116.66 117.43 2x9t n ARG 14 Ca -0.07 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 2x9t n ARG 14 Cb 0.62 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 2x9t n ARG 14 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2x9t n VAL 15 N 1.47 0.57 0.00 1.55 0.24 -1.23 -2.05 118.33 118.88 2x9t n VAL 15 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 2x9t n VAL 15 Cb 0.34 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 2x9t n VAL 15 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2x9t n ASP 16 N 0.70 4.36 -0.02 -1.34 3.85 -1.26 -4.65 116.55 118.19 2x9t n ASP 16 Ca 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 54.79 54.09 2x9t n ASP 16 Cb 0.29 0.56 -0.13 0.00 -1.35 0.00 0.00 41.12 40.49 2x9t n ASP 16 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 2x9t n VAL 17 N -1.67 0.85 -0.13 2.12 0.31 -0.87 -4.27 118.33 114.67 2x9t n VAL 17 Ca 0.00 -0.68 -0.08 0.00 -0.01 0.00 0.00 64.34 63.57 2x9t n VAL 17 Cb 0.31 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 2x9t n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2x9t h ALA 18 N 1.50 0.51 -0.08 3.52 0.00 -1.76 -1.54 119.26 121.40 2x9t h ALA 18 Ca -0.23 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2x9t h ALA 18 Cb 1.58 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2x9t h ALA 18 CO 0.02 -0.04 0.06 -0.07 0.00 0.00 0.00 179.25 179.22 2x9t h LEU 19 N 0.54 0.00 -1.08 0.00 -0.00 -1.83 0.16 115.31 113.10 2x9t h LEU 19 Ca 0.15 -0.00 0.07 0.00 -0.00 0.00 0.00 57.88 58.10 2x9t h LEU 19 Cb -0.05 -0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.54 2x9t h LEU 19 CO -0.04 0.00 0.62 0.74 -0.00 0.00 0.00 178.44 179.76 2x9t h THR 20 N 0.00 1.06 0.00 0.22 2.02 -1.45 0.05 112.91 114.81 2x9t h THR 20 Ca 0.04 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2x9t h THR 20 Cb 0.15 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2x9t h THR 20 CO -0.00 0.20 0.00 -1.22 0.37 0.00 0.00 175.52 174.87 2x9t n TYR 21 N -4.50 0.00 -5.06 3.16 0.53 0.58 -4.58 117.16 107.28 2x9t n TYR 21 Ca 0.15 -0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.70 2x9t n TYR 21 Cb 0.21 -0.05 -0.16 0.00 -1.03 0.00 0.00 39.34 38.31 2x9t n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2x9t s ILE 22 N -0.97 2.47 -0.24 -0.72 1.09 0.00 -5.04 121.20 117.79 2x9t s ILE 22 Ca 0.00 -0.89 -0.29 0.00 -1.10 0.00 0.00 60.65 58.37 2x9t s ILE 22 Cb 0.00 -1.96 -0.02 0.00 -1.06 0.00 0.00 42.46 39.41 2x9t s ILE 22 CO 0.00 0.56 1.59 -0.47 -0.10 0.00 0.00 174.94 176.52 2x9t s TYR 23 N 0.08 2.15 0.00 3.97 6.14 -1.26 -1.93 117.35 126.49 2x9t s TYR 23 Ca -0.09 0.58 0.00 0.00 0.64 0.00 0.00 57.07 58.20 2x9t s TYR 23 Cb -0.15 -3.99 0.00 0.00 0.42 0.00 0.00 41.96 38.23 2x9t s TYR 23 CO 0.06 -2.81 0.00 0.41 0.64 0.00 0.00 175.55 173.85 2x9t n GLY 24 N 4.68 1.17 2.85 8.97 0.00 -1.26 -0.85 105.19 120.74 2x9t n GLY 24 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 2x9t n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x9t s ILE 25 N -2.00 -0.04 0.19 -0.61 1.01 -0.81 -4.13 121.20 114.81 2x9t s ILE 25 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.84 2x9t s ILE 25 Cb 0.00 -0.12 -0.01 0.00 0.01 0.00 0.00 42.46 42.34 2x9t s ILE 25 CO 0.00 0.06 0.12 0.61 0.00 0.00 0.00 174.94 175.73 2x9t n GLY 26 N 3.93 3.54 0.31 6.18 0.00 -1.26 -4.23 105.19 113.65 2x9t n GLY 26 Ca -0.24 -1.88 0.31 0.00 0.00 0.00 0.00 46.02 44.21 2x9t n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x9t n LYS 27 N -0.39 -0.06 0.00 1.61 3.00 -1.26 -1.08 118.16 119.98 2x9t n LYS 27 Ca 0.01 1.31 0.00 0.00 -0.00 0.00 0.00 58.31 59.63 2x9t n LYS 27 Cb 0.32 -2.36 0.00 0.00 0.00 0.00 0.00 35.03 32.99 2x9t n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2x9t n ALA 28 N -2.31 -0.02 0.01 3.14 0.00 -1.26 -2.42 120.51 117.64 2x9t n ALA 28 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2x9t n ALA 28 Cb 1.24 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.71 2x9t n ALA 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2x9t n ARG 29 N -0.58 0.00 0.00 0.00 1.74 -1.04 -2.07 116.66 114.72 2x9t n ARG 29 Ca 0.00 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2x9t n ARG 29 Cb 0.00 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 2x9t n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2x9t n ALA 30 N -1.32 -0.13 0.35 7.54 0.00 -0.24 -2.20 120.51 124.53 2x9t n ALA 30 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2x9t n ALA 30 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 2x9t n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2x9t n LYS 31 N -1.54 0.54 0.05 0.00 5.02 -0.88 -2.98 118.16 118.37 2x9t n LYS 31 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2x9t n LYS 31 Cb 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2x9t n LYS 31 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2x9t n GLU 32 N 0.96 0.00 0.02 1.97 0.00 -1.13 -4.62 120.64 117.84 2x9t n GLU 32 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.23 2x9t n GLU 32 Cb 0.27 -0.40 0.32 0.00 0.00 0.00 0.00 31.44 31.63 2x9t n GLU 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2x9t n ALA 33 N -3.34 1.63 0.14 4.31 0.00 -0.93 -2.29 120.51 120.02 2x9t n ALA 33 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 2x9t n ALA 33 Cb 0.11 -1.24 -0.16 0.00 0.00 0.00 0.00 19.45 18.16 2x9t n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2x9t h LEU 34 N 0.00 0.84 -0.20 0.00 3.38 -1.82 -3.26 115.31 114.25 2x9t h LEU 34 Ca 0.00 -0.91 -0.15 0.00 0.09 0.00 0.00 57.88 56.91 2x9t h LEU 34 Cb 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2x9t h LEU 34 CO 0.00 1.69 -0.47 1.05 0.09 0.00 0.00 178.44 180.80 2x9t h GLU 35 N 0.13 0.67 -0.71 1.13 4.11 -1.72 -0.96 114.58 117.23 2x9t h GLU 35 Ca -0.24 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 58.73 2x9t h GLU 35 Cb 2.11 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.43 2x9t h GLU 35 CO 0.27 1.07 0.00 1.63 0.07 0.00 0.00 179.01 182.05 2x9t n LYS 36 N -4.18 0.75 -0.31 1.06 4.76 -0.97 -2.40 118.16 116.87 2x9t n LYS 36 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2x9t n LYS 36 Cb 0.58 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 2x9t n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2x9t n THR 37 N 0.09 0.00 -2.19 -0.18 -2.24 -1.19 -5.00 114.28 103.57 2x9t n THR 37 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2x9t n THR 37 Cb 0.18 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 2x9t n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x9t n GLY 38 N 0.00 -0.16 3.37 3.38 0.00 -1.01 -4.90 105.19 105.86 2x9t n GLY 38 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2x9t n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x9t s ILE 39 N -2.35 5.07 -0.16 -0.61 1.01 -0.39 -5.03 121.20 118.75 2x9t s ILE 39 Ca 0.00 -1.07 -0.39 0.00 0.00 0.00 0.00 60.65 59.19 2x9t s ILE 39 Cb 0.00 -4.30 -0.16 0.00 0.01 0.00 0.00 42.46 38.01 2x9t s ILE 39 CO 0.00 -0.83 1.62 -3.20 0.00 0.00 0.00 174.94 172.54 2x9t n ASN 40 N 5.64 2.20 0.12 3.58 5.15 -1.26 -4.62 115.26 126.06 2x9t n ASN 40 Ca -0.11 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.95 2x9t n ASN 40 Cb 0.43 -1.17 0.30 0.00 -0.53 0.00 0.00 39.78 38.81 2x9t n ASN 40 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2x9t h PRO 41 N 6.44 0.19 -2.00 1.20 0.11 -1.93 -3.27 132.00 132.74 2x9t h PRO 41 Ca -0.47 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 2x9t h PRO 41 Cb 1.32 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 2x9t h PRO 41 CO 0.90 0.50 -0.01 0.00 -0.21 0.00 0.00 178.00 179.19 2x9t n ALA 42 N -2.48 3.91 -2.90 -0.75 0.00 -1.26 -3.98 120.51 113.04 2x9t n ALA 42 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2x9t n ALA 42 Cb 0.41 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2x9t n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x9t n THR 43 N 1.55 0.00 -3.71 0.00 -2.24 -1.24 -5.04 114.28 103.60 2x9t n THR 43 Ca 0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 2x9t n THR 43 Cb 0.48 -0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 2x9t n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2x9t s ARG 44 N 1.61 0.80 0.54 -0.78 1.81 -1.26 -3.54 118.95 118.13 2x9t s ARG 44 Ca 0.00 -0.21 0.31 0.00 -1.72 0.00 0.00 55.73 54.11 2x9t s ARG 44 Cb 0.00 0.36 1.46 0.00 -0.45 0.00 0.00 34.95 36.32 2x9t s ARG 44 CO 0.00 -0.24 2.04 0.28 -0.68 0.00 0.00 175.30 176.70 2x9t h VAL 45 N 3.46 0.32 -0.73 3.52 2.07 -1.87 -1.82 116.25 121.21 2x9t h VAL 45 Ca -0.30 -0.57 0.20 0.00 0.82 0.00 0.00 66.70 66.85 2x9t h VAL 45 Cb 1.18 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 2x9t h VAL 45 CO 0.42 0.09 0.51 0.50 0.02 0.00 0.00 177.57 179.11 2x9t h LYS 46 N 0.00 0.08 -2.29 1.57 3.64 -1.91 -3.38 116.57 114.29 2x9t h LYS 46 Ca -0.00 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 2x9t h LYS 46 Cb 0.42 -0.02 -0.34 0.00 -0.41 0.00 0.00 32.23 31.89 2x9t h LYS 46 CO 0.01 0.05 -0.57 0.16 -2.27 0.00 0.00 179.45 176.83 2x9t s ASP 47 N -5.91 0.97 -0.29 4.20 1.47 -0.68 -5.06 116.67 111.36 2x9t s ASP 47 Ca -0.06 -0.07 -0.18 0.00 1.18 0.00 0.00 52.55 53.43 2x9t s ASP 47 Cb 0.21 0.65 0.13 0.00 -0.34 0.00 0.00 42.92 43.57 2x9t s ASP 47 CO 0.76 -0.32 0.93 -1.48 0.68 0.00 0.00 175.17 175.74 2x9t s LEU 48 N 2.41 -0.58 0.44 2.11 2.34 -1.26 -4.44 118.68 119.69 2x9t s LEU 48 Ca 0.09 0.95 -0.24 0.00 0.06 0.00 0.00 54.13 55.00 2x9t s LEU 48 Cb -0.16 1.89 -0.10 0.00 -0.56 0.00 0.00 46.19 47.27 2x9t s LEU 48 CO -0.14 -0.15 1.05 0.41 -1.06 0.00 0.00 176.35 176.45 2x9t n THR 49 N 3.54 2.57 -0.34 5.48 -1.04 -1.26 -4.73 114.28 118.50 2x9t n THR 49 Ca -0.18 -0.50 0.22 0.00 -2.04 0.00 0.00 64.05 61.55 2x9t n THR 49 Cb 0.57 -1.22 0.47 0.00 -1.82 0.00 0.00 70.33 68.34 2x9t n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2x9t h GLU 50 N 1.53 0.43 0.22 -2.82 4.39 -2.01 0.12 114.58 116.44 2x9t h GLU 50 Ca -0.45 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2x9t h GLU 50 Cb 1.33 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 2x9t h GLU 50 CO 0.57 0.29 -0.21 0.00 -1.16 0.00 0.00 179.01 178.49 2x9t h ALA 51 N 1.67 -0.44 -0.46 3.43 0.00 -1.98 0.27 119.26 121.75 2x9t h ALA 51 Ca 0.63 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.51 2x9t h ALA 51 Cb 1.46 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 2x9t h ALA 51 CO -0.38 -0.77 0.31 0.93 0.00 0.00 0.00 179.25 179.34 2x9t h GLU 52 N -0.46 0.44 0.39 0.00 5.08 -1.16 0.46 114.58 119.33 2x9t h GLU 52 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2x9t h GLU 52 Cb 0.42 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2x9t h GLU 52 CO -0.04 0.29 -0.19 0.28 -1.00 0.00 0.00 179.01 178.36 2x9t h VAL 53 N 0.46 0.00 -0.51 3.13 2.07 -0.30 -1.06 116.25 120.04 2x9t h VAL 53 Ca 0.19 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2x9t h VAL 53 Cb 0.19 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 2x9t h VAL 53 CO -0.05 0.00 0.34 0.58 0.02 0.00 0.00 177.57 178.46 2x9t h VAL 54 N -0.74 1.06 -0.48 2.57 2.07 -0.31 -0.93 116.25 119.48 2x9t h VAL 54 Ca -0.05 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 2x9t h VAL 54 Cb 0.40 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2x9t h VAL 54 CO 0.09 0.11 -0.22 -0.09 0.02 0.00 0.00 177.57 177.47 2x9t h ARG 55 N 0.58 1.00 -0.26 1.57 2.43 -0.13 -2.68 114.38 116.90 2x9t h ARG 55 Ca 0.20 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2x9t h ARG 55 Cb 0.09 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2x9t h ARG 55 CO -0.05 1.11 0.12 1.25 -1.51 0.00 0.00 179.97 180.89 2x9t h LEU 56 N 0.86 0.34 -1.37 3.80 7.12 -0.35 -1.18 115.31 124.53 2x9t h LEU 56 Ca 0.11 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2x9t h LEU 56 Cb 0.80 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 2x9t h LEU 56 CO 0.07 0.38 0.11 -0.09 -0.13 0.00 0.00 178.44 178.77 2x9t h ARG 57 N 0.28 0.00 0.00 1.25 2.43 -1.00 -3.10 114.38 114.24 2x9t h ARG 57 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2x9t h ARG 57 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2x9t h ARG 57 CO -0.01 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.84 2x9t n GLU 58 N -2.26 0.00 0.00 0.20 -0.58 -0.45 -1.82 120.64 115.73 2x9t n GLU 58 Ca -0.01 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2x9t n GLU 58 Cb 0.14 -0.72 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 2x9t n GLU 58 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2x9t n TYR 59 N -0.89 0.00 0.02 -0.32 9.36 -1.22 -1.93 117.16 122.18 2x9t n TYR 59 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2x9t n TYR 59 Cb 0.00 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.70 2x9t n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2x9t n VAL 60 N 0.01 0.49 1.61 2.97 0.31 -1.18 -4.37 118.33 118.17 2x9t n VAL 60 Ca 0.00 0.16 0.08 0.00 -0.01 0.00 0.00 64.34 64.57 2x9t n VAL 60 Cb 0.01 -1.18 0.45 0.00 -0.91 0.00 0.00 33.84 32.22 2x9t n VAL 60 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2x9t n GLU 61 N -2.92 0.81 -0.02 5.55 2.13 -0.76 -3.22 120.64 122.21 2x9t n GLU 61 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2x9t n GLU 61 Cb 0.00 -1.30 -0.02 0.00 0.27 0.00 0.00 31.44 30.39 2x9t n GLU 61 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2x9t n ASN 62 N -0.80 3.76 0.00 4.31 4.13 -0.81 -4.90 115.26 120.95 2x9t n ASN 62 Ca 0.11 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.36 2x9t n ASN 62 Cb 0.05 0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 2x9t n ASN 62 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2x9t n THR 63 N -2.53 0.00 -3.25 3.41 -1.04 -1.20 -4.75 114.28 104.92 2x9t n THR 63 Ca -0.07 0.44 -0.39 0.00 -2.04 0.00 0.00 64.05 61.98 2x9t n THR 63 Cb 0.59 -1.35 -0.07 0.00 -1.82 0.00 0.00 70.33 67.68 2x9t n THR 63 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 2x9t s TRP 64 N 0.00 3.37 -1.42 -1.42 -2.14 -1.24 -5.06 118.94 111.03 2x9t s TRP 64 Ca 0.00 0.76 0.01 0.00 2.66 0.00 0.00 56.10 59.54 2x9t s TRP 64 Cb 0.00 -2.66 0.07 0.00 -3.10 0.00 0.00 33.47 27.78 2x9t s TRP 64 CO 0.00 -0.10 0.85 0.36 -2.66 0.00 0.00 176.95 175.40 2x9t n LYS 65 N 4.77 0.02 0.00 3.25 2.85 -1.26 -4.71 118.16 123.08 2x9t n LYS 65 Ca -0.05 0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 2x9t n LYS 65 Cb 0.50 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 2x9t n LYS 65 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2x9t n LEU 66 N -1.29 0.00 -4.17 -5.58 4.77 -1.22 -4.15 117.00 105.36 2x9t n LEU 66 Ca 0.01 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.73 2x9t n LEU 66 Cb 0.01 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.29 2x9t n LEU 66 CO 0.01 0.00 -0.07 1.21 -1.33 0.00 0.00 177.39 177.21 2x9t n GLU 67 N 0.20 -2.59 0.00 3.23 4.07 -0.03 0.18 120.64 125.70 2x9t n GLU 67 Ca 0.00 -0.76 0.00 0.00 -0.06 0.00 0.00 57.16 56.34 2x9t n GLU 67 Cb 0.00 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 2x9t n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2x9t n GLY 68 N 2.11 0.47 0.00 8.31 0.00 -1.26 -0.97 105.19 113.84 2x9t n GLY 68 Ca 0.05 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2x9t n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2x9t n GLU 69 N 0.00 0.00 -0.07 1.61 2.13 -1.26 -0.67 120.64 122.38 2x9t n GLU 69 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2x9t n GLU 69 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2x9t n GLU 69 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2x9t n LEU 70 N 0.00 1.09 -0.35 4.31 4.77 0.47 -4.74 117.00 122.56 2x9t n LEU 70 Ca 0.00 0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2x9t n LEU 70 Cb 0.00 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 2x9t n LEU 70 CO 0.00 0.31 0.42 -1.14 -1.33 0.00 0.00 177.39 175.65 2x9t n ARG 71 N -3.57 -0.34 -0.32 3.23 3.00 -0.64 0.94 116.66 118.97 2x9t n ARG 71 Ca -0.27 1.27 0.17 0.00 -0.00 0.00 0.00 57.85 59.02 2x9t n ARG 71 Cb 0.70 -1.87 0.41 0.00 0.00 0.00 0.00 32.46 31.69 2x9t n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2x9t h ALA 72 N 0.56 1.93 0.05 5.13 0.00 -1.24 -2.14 119.26 123.55 2x9t h ALA 72 Ca 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2x9t h ALA 72 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2x9t h ALA 72 CO -0.80 -0.29 -0.02 1.49 0.00 0.00 0.00 179.25 179.63 2x9t h GLU 73 N 0.59 -0.06 -0.73 0.00 4.81 0.44 -1.49 114.58 118.14 2x9t h GLU 73 Ca 0.56 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.96 2x9t h GLU 73 Cb 1.11 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.39 2x9t h GLU 73 CO -0.32 0.54 0.12 0.28 -0.73 0.00 0.00 179.01 178.89 2x9t h VAL 74 N -0.73 0.45 -0.28 0.32 2.07 -0.44 0.90 116.25 118.53 2x9t h VAL 74 Ca -0.01 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 2x9t h VAL 74 Cb 0.63 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2x9t h VAL 74 CO 0.01 0.04 -0.35 0.00 0.02 0.00 0.00 177.57 177.29 2x9t h ALA 75 N 1.64 0.85 -0.86 1.67 0.00 -1.48 -2.55 119.26 118.54 2x9t h ALA 75 Ca 0.41 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2x9t h ALA 75 Cb 0.72 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2x9t h ALA 75 CO -0.56 0.64 0.48 0.00 0.00 0.00 0.00 179.25 179.81 2x9t h ALA 76 N 1.08 1.22 0.11 0.00 0.00 0.15 0.11 119.26 121.93 2x9t h ALA 76 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2x9t h ALA 76 Cb 0.85 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2x9t h ALA 76 CO 0.07 0.63 -0.05 -0.91 0.00 0.00 0.00 179.25 178.99 2x9t h ASN 77 N 1.20 -0.13 -0.58 0.00 2.35 0.68 -2.03 115.58 117.07 2x9t h ASN 77 Ca 0.30 -0.12 0.10 0.00 -0.55 0.00 0.00 56.30 56.03 2x9t h ASN 77 Cb 0.01 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.34 2x9t h ASN 77 CO -0.05 0.04 0.18 0.40 -1.65 0.00 0.00 177.43 176.35 2x9t h ILE 78 N -0.29 0.73 -0.68 2.81 2.04 -1.01 0.29 117.51 121.38 2x9t h ILE 78 Ca -0.02 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.85 2x9t h ILE 78 Cb 0.24 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 2x9t h ILE 78 CO 0.03 0.06 0.45 0.50 0.00 0.00 0.00 178.15 179.19 2x9t h LYS 79 N 0.33 0.43 -0.62 2.37 3.11 -0.53 0.21 116.57 121.88 2x9t h LYS 79 Ca 0.30 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 58.02 2x9t h LYS 79 Cb 0.40 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 2x9t h LYS 79 CO -0.34 0.29 0.01 -0.09 -2.81 0.00 0.00 179.45 176.51 2x9t h ARG 80 N 0.44 1.09 0.00 1.90 2.43 0.27 -0.06 114.38 120.44 2x9t h ARG 80 Ca 0.32 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2x9t h ARG 80 Cb 0.65 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2x9t h ARG 80 CO -0.10 1.05 0.00 1.28 -1.51 0.00 0.00 179.97 180.69 2x9t n LEU 81 N -4.18 0.49 -2.22 3.80 4.77 0.71 0.09 117.00 120.46 2x9t n LEU 81 Ca 0.03 0.72 -0.25 0.00 -0.03 0.00 0.00 56.01 56.49 2x9t n LEU 81 Cb 0.34 -0.78 0.17 0.00 -2.33 0.00 0.00 43.42 40.82 2x9t n LEU 81 CO 0.44 -0.87 1.30 0.80 -1.33 0.00 0.00 177.39 177.73 2x9t n MET 82 N -2.16 2.30 0.00 3.23 0.00 -0.04 -3.52 117.12 116.93 2x9t n MET 82 Ca -0.01 -3.05 0.00 0.00 0.00 0.00 0.00 57.70 54.64 2x9t n MET 82 Cb 0.04 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.07 2x9t n MET 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2x9t n ASP 83 N -1.12 0.00 0.10 6.12 3.85 0.11 -4.68 116.55 120.93 2x9t n ASP 83 Ca 0.60 0.00 0.10 0.00 -0.71 0.00 0.00 54.79 54.78 2x9t n ASP 83 Cb 1.54 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.31 2x9t n ASP 83 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 2x9t h ILE 84 N 0.00 0.08 -0.55 2.12 1.08 -1.84 -3.49 117.51 114.91 2x9t h ILE 84 Ca 0.00 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 2x9t h ILE 84 Cb 0.00 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 2x9t h ILE 84 CO 0.00 0.05 0.00 0.61 -0.69 0.00 0.00 178.15 178.12 2x9t n GLY 85 N 1.20 0.69 1.93 5.37 0.00 -1.26 -5.11 105.19 108.01 2x9t n GLY 85 Ca -0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 2x9t n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9t h TYR 87 N -1.86 0.73 -0.44 0.00 3.20 -1.92 -2.00 116.97 114.67 2x9t h TYR 87 Ca -0.22 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.48 2x9t h TYR 87 Cb 0.65 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2x9t h TYR 87 CO 0.00 0.77 0.11 0.00 -1.64 0.00 0.00 178.16 177.39 2x9t h ARG 88 N 0.48 0.67 0.32 1.82 3.08 -1.92 -2.68 114.38 116.15 2x9t h ARG 88 Ca 0.10 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2x9t h ARG 88 Cb 0.48 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2x9t h ARG 88 CO 0.02 0.61 -0.39 0.78 -1.07 0.00 0.00 179.97 179.93 2x9t h GLY 89 N 0.87 -0.88 -0.14 0.04 0.00 -1.48 -3.33 103.07 98.14 2x9t h GLY 89 Ca 0.15 0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.86 2x9t h GLY 89 CO -0.00 -0.30 0.01 1.04 0.00 0.00 0.00 176.54 177.29 2x9t n LEU 90 N -5.48 0.00 0.00 3.11 4.77 -0.80 -2.72 117.00 115.89 2x9t n LEU 90 Ca -0.09 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2x9t n LEU 90 Cb 0.38 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2x9t n LEU 90 CO 0.26 -1.24 0.00 0.54 -1.33 0.00 0.00 177.39 175.62 2x9t n ARG 91 N -2.09 0.00 -0.04 3.23 5.12 -1.25 -4.07 116.66 117.55 2x9t n ARG 91 Ca 0.02 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.91 2x9t n ARG 91 Cb 0.09 -3.19 -0.07 0.00 -1.16 0.00 0.00 32.46 28.13 2x9t n ARG 91 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2x9t n HIS 92 N -1.54 0.00 0.08 -1.55 8.25 -1.10 0.21 115.22 119.57 2x9t n HIS 92 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 2x9t n HIS 92 Cb 0.00 -0.42 -0.07 0.00 1.12 0.00 0.00 29.99 30.62 2x9t n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2x9t h ARG 93 N 0.00 0.09 -0.02 -0.41 -0.00 -1.67 -3.11 114.38 109.26 2x9t h ARG 93 Ca -0.22 -0.13 0.00 0.00 -0.50 0.00 0.00 59.98 59.13 2x9t h ARG 93 Cb 1.45 0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.47 2x9t h ARG 93 CO 0.01 0.99 -0.18 0.54 0.00 0.00 0.00 179.97 181.33 2x9t n ARG 94 N -3.50 1.66 -3.43 0.04 1.74 -1.26 -5.00 116.66 106.92 2x9t n ARG 94 Ca -0.02 -1.27 -0.19 0.00 -0.77 0.00 0.00 57.85 55.60 2x9t n ARG 94 Cb 0.89 -1.47 0.04 0.00 -1.02 0.00 0.00 32.46 30.89 2x9t n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x9t n GLY 95 N 1.34 -1.14 3.21 -0.13 0.00 -1.18 -4.94 105.19 102.36 2x9t n GLY 95 Ca 0.13 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.54 2x9t n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x9t s LEU 96 N -5.41 1.15 -0.33 0.99 1.43 0.13 -4.48 118.68 112.17 2x9t s LEU 96 Ca 0.30 -1.39 -0.29 0.00 -1.03 0.00 0.00 54.13 51.72 2x9t s LEU 96 Cb -0.08 0.42 0.02 0.00 0.03 0.00 0.00 46.19 46.58 2x9t s LEU 96 CO 0.81 -0.86 1.09 -2.16 0.23 0.00 0.00 176.35 175.46 2x9t s PRO 97 N -4.12 4.04 -1.08 1.29 0.04 -1.26 -4.55 135.00 129.35 2x9t s PRO 97 Ca 0.39 1.06 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 2x9t s PRO 97 Cb 0.07 -3.75 0.29 0.00 0.04 0.00 0.00 34.50 31.15 2x9t s PRO 97 CO 0.13 -0.94 1.73 0.28 0.04 0.00 0.00 177.00 178.23 2x9t n VAL 98 N 5.94 5.65 -2.78 -0.36 0.31 -1.26 -4.71 118.33 121.12 2x9t n VAL 98 Ca 0.12 -5.78 0.00 0.00 -0.01 0.00 0.00 64.34 58.68 2x9t n VAL 98 Cb 0.47 -1.85 0.05 0.00 -0.91 0.00 0.00 33.84 31.61 2x9t n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2x9t n ARG 99 N 0.84 1.50 -3.04 5.55 1.74 -1.26 -4.98 116.66 117.02 2x9t n ARG 99 Ca 0.39 -3.08 -0.06 0.00 -0.77 0.00 0.00 57.85 54.33 2x9t n ARG 99 Cb 0.29 -1.21 0.01 0.00 -1.02 0.00 0.00 32.46 30.53 2x9t n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x9t n GLY 100 N -0.59 -1.60 3.16 -0.13 0.00 -1.26 -5.03 105.19 99.75 2x9t n GLY 100 Ca 0.04 0.42 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 2x9t n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x9t s GLN 101 N -1.55 0.94 -0.52 1.61 -0.21 -1.26 -5.10 119.66 113.56 2x9t s GLN 101 Ca 0.07 -1.41 -0.28 0.00 0.02 0.00 0.00 55.36 53.77 2x9t s GLN 101 Cb -0.01 0.25 -0.00 0.00 1.00 0.00 0.00 33.01 34.25 2x9t s GLN 101 CO 0.45 -0.27 1.59 0.50 -2.12 0.00 0.00 175.29 175.44 2x9t s ARG 102 N -4.04 3.16 0.06 2.91 6.06 -1.26 -4.84 118.95 121.00 2x9t s ARG 102 Ca 0.23 0.69 0.23 0.00 -2.50 0.00 0.00 55.73 54.38 2x9t s ARG 102 Cb 0.07 -4.20 0.03 0.00 0.06 0.00 0.00 34.95 30.92 2x9t s ARG 102 CO 0.01 -2.10 1.01 0.25 -2.50 0.00 0.00 175.30 171.98 2x9t n THR 103 N 7.06 0.19 0.29 4.11 -2.24 -1.26 -4.09 114.28 118.34 2x9t n THR 103 Ca 0.16 -0.27 0.18 0.00 -2.27 0.00 0.00 64.05 61.85 2x9t n THR 103 Cb 0.49 0.17 0.98 0.00 -2.10 0.00 0.00 70.33 69.87 2x9t n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2x9t h ARG 104 N 0.00 0.00 0.00 -0.78 2.43 -2.04 -3.45 114.38 110.54 2x9t h ARG 104 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2x9t h ARG 104 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2x9t h ARG 104 CO 0.00 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.71 2x9t n THR 105 N -3.56 0.00 0.00 0.20 -2.24 -1.26 -5.08 114.28 102.34 2x9t n THR 105 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2x9t n THR 105 Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2x9t n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2x9t n ASN 106 N 0.00 0.00 0.00 3.42 3.02 -1.26 -4.71 115.26 115.73 2x9t n ASN 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2x9t n ASN 106 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2x9t n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x9t n ALA 107 N 0.00 0.00 0.23 5.41 0.00 -1.26 -4.68 120.51 120.21 2x9t n ALA 107 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2x9t n ALA 107 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.02 2x9t n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x9t h ARG 108 N 0.00 0.00 0.70 0.00 -0.00 -1.84 -2.61 114.38 110.62 2x9t h ARG 108 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.45 2x9t h ARG 108 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 29.97 29.98 2x9t h ARG 108 CO 0.00 0.00 -0.34 1.15 0.00 0.00 0.00 179.97 180.78 2x9t h THR 109 N 0.00 0.00 -0.69 2.04 2.02 -1.97 -2.83 112.91 111.48 2x9t h THR 109 Ca 0.00 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.81 2x9t h THR 109 Cb 0.52 0.00 -0.21 0.00 -1.74 0.00 0.00 68.15 66.72 2x9t h THR 109 CO 0.00 0.00 0.47 0.54 0.37 0.00 0.00 175.52 176.90 2x9t n ARG 110 N -4.58 1.89 -3.76 6.66 1.74 -1.00 -4.80 116.66 112.80 2x9t n ARG 110 Ca -0.12 -2.11 -0.27 0.00 -0.77 0.00 0.00 57.85 54.59 2x9t n ARG 110 Cb 0.38 -1.83 -0.17 0.00 -1.02 0.00 0.00 32.46 29.82 2x9t n ARG 110 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2x9t s LYS 111 N -2.32 0.72 -0.61 5.56 1.02 -1.07 -4.08 119.74 118.96 2x9t s LYS 111 Ca 0.40 -0.31 -0.18 0.00 0.02 0.00 0.00 55.97 55.90 2x9t s LYS 111 Cb 0.34 -1.85 0.12 0.00 -0.52 0.00 0.00 37.83 35.92 2x9t s LYS 111 CO 0.07 -0.54 0.69 0.20 -0.92 0.00 0.00 175.35 174.85 2x9t s GLY 112 N 1.86 1.89 0.53 -3.33 0.00 -1.26 -4.67 107.32 102.34 2x9t s GLY 112 Ca 0.01 -2.37 0.00 0.00 0.00 0.00 0.00 44.72 42.35 2x9t s GLY 112 CO -0.07 1.52 0.00 -1.55 0.00 0.00 0.00 173.10 172.99 2x9t n PRO 113 N 6.02 -3.75 -4.04 2.90 -0.04 -1.22 -4.63 135.00 130.23 2x9t n PRO 113 Ca -0.07 2.91 -0.36 0.00 -0.04 0.00 0.00 63.50 65.94 2x9t n PRO 113 Cb 0.43 -3.68 -0.07 0.00 -0.04 0.00 0.00 33.50 30.14 2x9t n PRO 113 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2x9t s ARG 114 N -5.19 3.27 -0.73 0.54 0.52 -1.26 -4.96 118.95 111.14 2x9t s ARG 114 Ca 0.00 -0.26 0.01 0.00 -0.52 0.00 0.00 55.73 54.96 2x9t s ARG 114 Cb 0.00 -3.04 0.18 0.00 0.52 0.00 0.00 34.95 32.61 2x9t s ARG 114 CO 0.00 0.74 0.55 0.15 0.02 0.00 0.00 175.30 176.75 2x9t s LYS 115 N -1.14 2.70 0.00 3.54 3.01 -1.26 -4.94 119.74 121.65 2x9t s LYS 115 Ca 0.16 -3.04 0.00 0.00 -1.01 0.00 0.00 55.97 52.09 2x9t s LYS 115 Cb -0.12 -3.66 0.00 0.00 -1.01 0.00 0.00 37.83 33.04 2x9t s LYS 115 CO 0.06 -1.23 0.02 2.41 0.51 0.00 0.00 175.35 177.12 2x9t n THR 116 N 2.60 0.00 -1.45 2.17 -1.04 -1.26 -4.70 114.28 110.61 2x9t n THR 116 Ca 0.15 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.89 2x9t n THR 116 Cb 0.36 -0.56 -0.20 0.00 -1.82 0.00 0.00 70.33 68.11 2x9t n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2x9t n VAL 117 N -0.24 0.00 -4.37 12.58 0.31 -1.26 -4.92 118.33 120.43 2x9t n VAL 117 Ca 0.00 -0.33 -0.18 0.00 -0.01 0.00 0.00 64.34 63.81 2x9t n VAL 117 Cb 0.00 -0.15 -0.05 0.00 -0.91 0.00 0.00 33.84 32.73 2x9t n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2x9t n ALA 118 N 6.81 0.39 0.00 3.52 0.00 -1.26 -5.18 120.51 124.79 2x9t n ALA 118 Ca 0.65 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2x9t n ALA 118 Cb 0.10 0.97 0.00 0.00 0.00 0.00 0.00 19.45 20.52 2x9t n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9t n GLY 119 N 0.20 1.14 3.72 0.00 0.00 -1.26 -5.18 105.19 103.81 2x9t n GLY 119 Ca -0.05 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2x9t n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x9t s LYS 120 N 0.00 2.39 0.30 1.61 2.36 -1.26 -5.15 119.74 119.99 2x9t s LYS 120 Ca 0.00 -1.49 0.03 0.00 -2.55 0.00 0.00 55.97 51.96 2x9t s LYS 120 Cb 0.00 -2.20 -0.04 0.00 -1.05 0.00 0.00 37.83 34.54 2x9t s LYS 120 CO 0.00 0.19 0.12 0.15 1.55 0.00 0.00 175.35 177.35 2x9t s LYS 121 N -3.81 1.58 0.00 4.03 3.01 -1.26 -5.06 119.74 118.23 2x9t s LYS 121 Ca 0.36 -1.89 0.00 0.00 -1.01 0.00 0.00 55.97 53.43 2x9t s LYS 121 Cb -0.04 -0.34 0.00 0.00 -1.01 0.00 0.00 37.83 36.44 2x9t s LYS 121 CO 0.22 -0.36 0.02 1.63 0.51 0.00 0.00 175.35 177.37 2x9t n LYS 122 N -0.60 0.32 -2.71 1.68 4.76 -1.26 -5.05 118.16 115.30 2x9t n LYS 122 Ca -0.01 -0.02 -0.01 0.00 -2.87 0.00 0.00 58.31 55.41 2x9t n LYS 122 Cb 0.66 -0.23 0.02 0.00 -1.84 0.00 0.00 35.03 33.64 2x9t n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x9t s ALA 123 N -0.05 -4.47 0.00 7.82 0.00 -1.26 -5.15 121.76 118.65 2x9t s ALA 123 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2x9t s ALA 123 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2x9t s ALA 123 CO 0.00 -2.51 0.00 -2.30 0.00 0.00 0.00 175.76 170.95 2x9t n PRO 124 N 3.09 0.00 -2.35 0.00 -0.02 -1.26 -4.78 135.00 129.69 2x9t n PRO 124 Ca 0.09 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.19 2x9t n PRO 124 Cb 0.64 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.10 2x9t n PRO 124 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2x9t n ARG 125 N 0.00 2.56 0.00 -0.52 0.63 -1.26 -5.30 116.66 112.78 2x9t n ARG 125 Ca 0.00 -2.94 0.00 0.00 -0.92 0.00 0.00 57.85 53.99 2x9t n ARG 125 Cb 0.00 -3.58 0.00 0.00 0.45 0.00 0.00 32.46 29.33 2x9t n ARG 125 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48