#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3niv s ILE 2 N 0.00 1.57 -0.36 -0.08 1.01 -0.26 -1.58 121.20 121.50 3niv s ILE 2 Ca 0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 3niv s ILE 2 Cb 0.00 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 41.03 3niv s ILE 2 CO 0.00 0.46 0.56 -0.22 0.00 0.00 0.00 174.94 175.74 3niv s LEU 3 N 1.12 4.34 -0.27 2.97 2.96 0.69 -0.17 118.68 130.32 3niv s LEU 3 Ca -0.03 -0.00 -0.29 0.00 -0.22 0.00 0.00 54.13 53.59 3niv s LEU 3 Cb -0.14 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 3niv s LEU 3 CO -0.04 -0.54 1.41 -0.31 -1.32 0.00 0.00 176.35 175.55 3niv s TYR 4 N 2.52 2.48 0.25 5.38 1.51 0.29 -0.72 117.35 129.07 3niv s TYR 4 Ca 0.21 0.75 0.08 0.00 -1.01 0.00 0.00 57.07 57.11 3niv s TYR 4 Cb -0.15 -3.92 -0.05 0.00 -0.11 0.00 0.00 41.96 37.73 3niv s TYR 4 CO 0.14 -2.15 -0.13 0.34 -1.11 0.00 0.00 175.55 172.64 3niv s ASP 5 N 3.27 2.94 -0.12 2.29 2.15 0.05 -1.77 116.67 125.46 3niv s ASP 5 Ca 0.62 -1.09 -0.05 0.00 0.43 0.00 0.00 52.55 52.46 3niv s ASP 5 Cb -0.20 -0.20 0.06 0.00 -0.30 0.00 0.00 42.92 42.28 3niv s ASP 5 CO 0.25 -0.18 0.26 -0.47 -0.17 0.00 0.00 175.17 174.86 3niv s TYR 6 N -2.86 -0.40 0.31 -5.34 5.04 -1.26 -3.00 117.35 109.84 3niv s TYR 6 Ca 0.27 0.92 0.07 0.00 -2.44 0.00 0.00 57.07 55.90 3niv s TYR 6 Cb -0.00 -0.00 0.80 0.00 0.35 0.00 0.00 41.96 43.11 3niv s TYR 6 CO 0.11 -0.32 1.75 0.27 -1.34 0.00 0.00 175.55 176.02 3niv h PHE 7 N 7.92 1.03 -0.65 4.97 -5.15 -1.94 0.19 116.94 123.32 3niv h PHE 7 Ca -0.23 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.58 3niv h PHE 7 Cb 1.13 -0.30 0.00 0.00 0.22 0.00 0.00 35.95 37.00 3niv h PHE 7 CO 0.36 0.15 0.00 -2.13 -2.00 0.00 0.00 178.31 174.69 3niv n ARG 8 N -4.83 2.65 -2.41 6.09 3.00 -1.26 -4.05 116.66 115.85 3niv n ARG 8 Ca 0.25 -2.55 -0.43 0.00 -0.00 0.00 0.00 57.85 55.12 3niv n ARG 8 Cb 0.65 -1.56 -0.02 0.00 0.00 0.00 0.00 32.46 31.53 3niv n ARG 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3niv s SER 9 N -1.13 6.52 0.19 6.15 0.15 0.67 -4.91 113.70 121.34 3niv s SER 9 Ca 0.47 0.96 -0.18 0.00 0.70 0.00 0.00 55.95 57.89 3niv s SER 9 Cb 0.25 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 62.17 3niv s SER 9 CO 0.33 -1.25 1.61 0.74 1.20 0.00 0.00 173.24 175.87 3niv h THR 10 N 6.21 0.28 -0.68 6.45 2.02 -1.90 0.27 112.91 125.56 3niv h THR 10 Ca -0.26 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.97 3niv h THR 10 Cb 1.10 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 3niv h THR 10 CO 1.07 0.00 0.39 0.00 0.37 0.00 0.00 175.52 177.35 3niv h ALA 11 N 1.18 0.90 -0.48 6.16 0.00 -1.94 -1.85 119.26 123.24 3niv h ALA 11 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3niv h ALA 11 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3niv h ALA 11 CO -0.62 0.10 0.21 0.00 0.00 0.00 0.00 179.25 178.94 3niv h TYR 13 N 0.63 -0.10 -0.52 0.00 5.03 0.06 0.19 116.97 122.25 3niv h TYR 13 Ca 0.16 0.04 0.10 0.00 2.58 0.00 0.00 58.73 61.62 3niv h TYR 13 Cb 0.16 0.14 -0.08 0.00 1.55 0.00 0.00 36.73 38.49 3niv h TYR 13 CO -0.00 -0.17 0.02 0.00 -1.32 0.00 0.00 178.16 176.69 3niv h ARG 14 N 0.09 0.14 -0.41 1.82 3.08 -1.13 -0.90 114.38 117.07 3niv h ARG 14 Ca 0.30 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.20 3niv h ARG 14 Cb 0.47 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3niv h ARG 14 CO -0.52 0.09 -0.28 0.28 -1.07 0.00 0.00 179.97 178.47 3niv h VAL 15 N 0.14 1.27 -0.29 2.04 2.07 -1.01 -2.03 116.25 118.44 3niv h VAL 15 Ca 0.26 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.37 3niv h VAL 15 Cb 0.40 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3niv h VAL 15 CO -0.42 0.48 0.13 0.03 0.02 0.00 0.00 177.57 177.81 3niv h ARG 16 N 0.74 0.26 -0.03 1.57 3.08 0.44 -0.18 114.38 120.26 3niv h ARG 16 Ca 0.09 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3niv h ARG 16 Cb 0.84 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 3niv h ARG 16 CO 0.07 0.17 -0.14 0.82 -1.07 0.00 0.00 179.97 179.83 3niv h ILE 17 N 0.27 0.65 -0.94 2.04 2.04 -1.13 -1.57 117.51 118.86 3niv h ILE 17 Ca 0.13 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.07 3niv h ILE 17 Cb 0.07 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.73 3niv h ILE 17 CO -0.11 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.65 3niv h ALA 18 N 0.76 1.52 -0.44 1.87 0.00 -0.93 0.14 119.26 122.19 3niv h ALA 18 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3niv h ALA 18 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3niv h ALA 18 CO -0.16 0.31 -0.15 -0.07 0.00 0.00 0.00 179.25 179.18 3niv h LEU 19 N 1.02 0.89 -0.19 0.00 3.38 -0.65 -2.82 115.31 116.93 3niv h LEU 19 Ca 0.42 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3niv h LEU 19 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3niv h LEU 19 CO -0.18 1.06 0.02 0.78 0.09 0.00 0.00 178.44 180.22 3niv h ASN 20 N 0.70 0.31 -0.89 -0.43 -0.26 -0.55 -1.87 115.58 112.60 3niv h ASN 20 Ca 0.11 -0.27 0.12 0.00 -0.56 0.00 0.00 56.30 55.69 3niv h ASN 20 Cb 0.70 -0.08 -0.07 0.00 -1.06 0.00 0.00 38.32 37.81 3niv h ASN 20 CO 0.05 0.51 0.57 -0.07 -1.06 0.00 0.00 177.43 177.43 3niv h LEU 21 N 0.11 0.72 -1.75 1.61 3.38 -0.74 -0.54 115.31 118.09 3niv h LEU 21 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3niv h LEU 21 Cb 0.33 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3niv h LEU 21 CO 0.01 0.40 0.00 0.29 0.09 0.00 0.00 178.44 179.22 3niv n LYS 22 N -4.55 2.16 -2.82 1.13 5.02 -1.07 -4.92 118.16 113.11 3niv n LYS 22 Ca 0.16 -1.73 -0.18 0.00 -2.02 0.00 0.00 58.31 54.53 3niv n LYS 22 Cb 0.39 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3niv n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3niv n LYS 23 N 0.97 -3.02 -2.62 1.97 5.02 -0.21 -4.91 118.16 115.37 3niv n LYS 23 Ca 0.18 0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 56.72 3niv n LYS 23 Cb 0.49 -5.35 -0.05 0.00 -0.02 0.00 0.00 35.03 30.10 3niv n LYS 23 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3niv s ILE 24 N -2.86 3.90 -0.10 -0.18 1.01 -0.90 -5.01 121.20 117.06 3niv s ILE 24 Ca 0.17 1.82 -0.29 0.00 0.00 0.00 0.00 60.65 62.35 3niv s ILE 24 Cb -0.09 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 3niv s ILE 24 CO 0.21 0.39 0.98 0.00 0.00 0.00 0.00 174.94 176.52 3niv s ALA 25 N -0.86 3.39 0.20 9.38 0.00 -1.26 -4.77 121.76 127.84 3niv s ALA 25 Ca 0.44 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.71 3niv s ALA 25 Cb -0.28 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3niv s ALA 25 CO 0.35 -0.56 0.21 1.52 0.00 0.00 0.00 175.76 177.28 3niv s TYR 26 N 1.89 0.91 0.08 0.00 -0.85 -1.26 -4.79 117.35 113.34 3niv s TYR 26 Ca 0.47 -1.18 0.10 0.00 -0.52 0.00 0.00 57.07 55.94 3niv s TYR 26 Cb -0.18 -0.36 -0.03 0.00 0.38 0.00 0.00 41.96 41.77 3niv s TYR 26 CO 0.18 -0.71 -0.27 -1.21 -1.52 0.00 0.00 175.55 172.03 3niv s GLU 27 N -4.11 1.60 0.09 -3.49 2.02 -0.61 -5.04 118.70 109.17 3niv s GLU 27 Ca 0.33 -1.22 0.09 0.00 0.02 0.00 0.00 54.97 54.19 3niv s GLU 27 Cb 0.05 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 3niv s GLU 27 CO 0.10 0.48 -0.22 -1.59 0.02 0.00 0.00 175.26 174.04 3niv s LYS 28 N -1.62 1.27 -0.19 1.61 0.00 -1.26 -0.22 119.74 119.32 3niv s LYS 28 Ca 0.13 -1.16 -0.01 0.00 0.00 0.00 0.00 55.97 54.93 3niv s LYS 28 Cb -0.10 -1.55 0.01 0.00 0.00 0.00 0.00 37.83 36.19 3niv s LYS 28 CO 0.04 0.37 -0.14 0.42 0.00 0.00 0.00 175.35 176.04 3niv s ILE 29 N -1.06 2.55 0.04 3.79 1.01 0.10 -4.90 121.20 122.74 3niv s ILE 29 Ca 0.08 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 3niv s ILE 29 Cb -0.10 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 3niv s ILE 29 CO 0.04 0.50 0.82 -1.61 0.00 0.00 0.00 174.94 174.69 3niv s GLU 30 N 1.32 4.54 0.00 2.79 0.41 -1.26 -0.77 118.70 125.72 3niv s GLU 30 Ca 0.04 1.16 0.00 0.00 -0.41 0.00 0.00 54.97 55.77 3niv s GLU 30 Cb -0.14 -3.39 0.00 0.00 -1.78 0.00 0.00 34.13 28.83 3niv s GLU 30 CO -0.09 0.20 0.00 1.33 -0.49 0.00 0.00 175.26 176.22 3niv n VAL 31 N 3.05 0.00 0.00 2.63 0.24 -1.16 -4.96 118.33 118.13 3niv n VAL 31 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3niv n VAL 31 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3niv n VAL 31 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3niv n GLU 52 N 0.00 0.00 -0.07 7.34 0.00 -1.26 -4.97 120.64 121.69 3niv n GLU 52 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 3niv n GLU 52 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 3niv n GLU 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3niv h LEU 53 N 0.00 0.89 -7.58 -1.84 5.85 -2.01 -3.44 115.31 107.18 3niv h LEU 53 Ca 0.00 -0.45 -0.25 0.00 0.84 0.00 0.00 57.88 58.02 3niv h LEU 53 Cb 0.00 -0.25 -0.30 0.00 0.37 0.00 0.00 40.66 40.47 3niv h LEU 53 CO 0.00 1.23 -0.67 0.68 -0.34 0.00 0.00 178.44 179.34 3niv s VAL 54 N -4.17 -0.03 0.44 1.05 -7.23 -1.26 -3.12 120.40 106.08 3niv s VAL 54 Ca -0.10 0.11 -0.22 0.00 -1.81 0.00 0.00 61.98 59.96 3niv s VAL 54 Cb 0.11 -0.11 -0.09 0.00 0.56 0.00 0.00 36.38 36.84 3niv s VAL 54 CO 0.87 0.04 1.04 -2.16 -0.31 0.00 0.00 175.10 174.59 3niv s PRO 55 N 0.61 4.01 -0.01 4.82 0.04 -1.26 -4.82 135.00 138.38 3niv s PRO 55 Ca -0.05 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 3niv s PRO 55 Cb -0.07 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.16 3niv s PRO 55 CO -0.02 -0.26 0.04 0.45 0.04 0.00 0.00 177.00 177.24 3niv s SER 56 N -1.78 -0.03 -0.17 6.66 0.15 -0.73 -4.17 113.70 113.63 3niv s SER 56 Ca 0.62 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 57.34 3niv s SER 56 Cb -0.19 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 3niv s SER 56 CO 0.23 -0.02 -0.13 -0.22 1.20 0.00 0.00 173.24 174.30 3niv s LEU 57 N 0.12 2.52 -0.31 3.45 2.96 0.68 0.10 118.68 128.20 3niv s LEU 57 Ca -0.01 -0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 53.29 3niv s LEU 57 Cb -0.01 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 3niv s LEU 57 CO -0.00 0.05 0.25 -0.62 -1.32 0.00 0.00 176.35 174.71 3niv s ASP 58 N 1.05 6.08 -0.63 3.68 -1.08 0.76 -0.30 116.67 126.22 3niv s ASP 58 Ca -0.01 -0.19 0.03 0.00 -0.52 0.00 0.00 52.55 51.86 3niv s ASP 58 Cb -0.15 -2.15 0.16 0.00 -1.46 0.00 0.00 42.92 39.32 3niv s ASP 58 CO -0.03 -0.18 0.42 -0.63 0.52 0.00 0.00 175.17 175.26 3niv s ILE 59 N 1.81 3.02 -1.49 4.11 1.01 0.11 -1.10 121.20 128.67 3niv s ILE 59 Ca 0.08 -3.67 -0.12 0.00 0.00 0.00 0.00 60.65 56.94 3niv s ILE 59 Cb -0.17 -3.01 0.07 0.00 0.01 0.00 0.00 42.46 39.37 3niv s ILE 59 CO 0.11 -0.91 0.98 0.59 0.00 0.00 0.00 174.94 175.71 3niv n ASN 60 N 2.68 -4.62 0.00 3.58 5.03 -1.26 -2.29 115.26 118.37 3niv n ASN 60 Ca 0.12 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.81 3niv n ASN 60 Cb 0.34 -4.02 0.00 0.00 -1.02 0.00 0.00 39.78 35.08 3niv n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3niv n GLY 61 N -1.72 2.86 3.74 7.41 0.00 -1.26 -5.04 105.19 111.18 3niv n GLY 61 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3niv n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3niv s GLN 62 N 0.00 4.65 -0.05 1.61 -0.21 -0.97 -5.05 119.66 119.64 3niv s GLN 62 Ca 0.00 1.62 0.01 0.00 0.02 0.00 0.00 55.36 57.01 3niv s GLN 62 Cb 0.00 -3.31 -0.03 0.00 1.00 0.00 0.00 33.01 30.67 3niv s GLN 62 CO 0.00 0.15 -0.04 0.42 -2.12 0.00 0.00 175.29 173.70 3niv s ILE 63 N -0.25 3.91 -0.05 1.08 -1.09 -1.26 0.06 121.20 123.61 3niv s ILE 63 Ca 0.48 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 3niv s ILE 63 Cb -0.27 -2.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.98 3niv s ILE 63 CO 0.33 0.53 -0.03 -0.22 -1.23 0.00 0.00 174.94 174.32 3niv s LEU 64 N -1.06 1.17 0.52 2.97 2.96 0.59 -4.96 118.68 120.87 3niv s LEU 64 Ca 0.15 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3niv s LEU 64 Cb -0.11 -0.41 0.00 0.00 0.50 0.00 0.00 46.19 46.17 3niv s LEU 64 CO 0.04 -0.09 0.15 -0.94 -1.32 0.00 0.00 176.35 174.20 3niv s SER 65 N 1.13 4.32 0.00 3.68 1.04 -1.26 -0.23 113.70 122.38 3niv s SER 65 Ca -0.08 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.86 3niv s SER 65 Cb -0.14 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3niv s SER 65 CO -0.01 -0.93 0.00 0.00 0.98 0.00 0.00 173.24 173.28 3niv n GLN 66 N -1.44 -0.39 0.00 4.02 1.13 -1.26 -4.46 117.38 114.97 3niv n GLN 66 Ca -0.12 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 3niv n GLN 66 Cb 0.66 -0.74 0.00 0.00 0.11 0.00 0.00 30.24 30.27 3niv n GLN 66 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3niv n SER 67 N 0.14 0.00 0.00 1.08 3.41 -1.26 -1.06 113.62 115.92 3niv n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3niv n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3niv n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3niv n ALA 69 N 0.77 0.00 -0.09 7.33 0.00 -1.26 -0.78 120.51 126.48 3niv n ALA 69 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3niv n ALA 69 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3niv n ALA 69 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3niv h ILE 70 N 0.00 1.30 -0.66 0.00 2.04 -1.32 -1.83 117.51 117.05 3niv h ILE 70 Ca 0.00 -1.48 -0.08 0.00 1.00 0.00 0.00 64.86 64.30 3niv h ILE 70 Cb 0.00 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3niv h ILE 70 CO 0.00 0.48 0.10 0.40 0.00 0.00 0.00 178.15 179.13 3niv h ILE 71 N 0.46 1.26 -0.10 -0.67 2.04 -1.21 -1.41 117.51 117.89 3niv h ILE 71 Ca 0.04 -1.03 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 3niv h ILE 71 Cb 0.88 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3niv h ILE 71 CO 0.08 0.39 -0.22 0.44 0.00 0.00 0.00 178.15 178.84 3niv h ASP 72 N 1.02 0.16 -0.30 1.72 5.19 -1.80 -2.50 116.42 119.91 3niv h ASP 72 Ca 0.20 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.46 3niv h ASP 72 Cb 0.44 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 3niv h ASP 72 CO 0.01 0.39 -0.27 0.22 -3.12 0.00 0.00 179.24 176.47 3niv h TYR 73 N 0.15 0.84 -0.91 4.55 3.20 -0.77 -2.20 116.97 121.83 3niv h TYR 73 Ca 0.03 -0.25 0.04 0.00 3.14 0.00 0.00 58.73 61.69 3niv h TYR 73 Cb 0.48 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 3niv h TYR 73 CO 0.01 0.99 0.58 -0.07 -1.64 0.00 0.00 178.16 178.03 3niv h LEU 74 N 0.45 0.95 -1.17 2.82 3.38 -1.03 -0.89 115.31 119.83 3niv h LEU 74 Ca 0.05 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3niv h LEU 74 Cb 0.84 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3niv h LEU 74 CO 0.07 0.64 -0.34 -0.33 0.09 0.00 0.00 178.44 178.57 3niv h GLU 75 N 1.11 0.14 0.21 1.13 4.39 -1.37 -0.15 114.58 120.03 3niv h GLU 75 Ca 0.37 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 3niv h GLU 75 Cb 0.06 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3niv h GLU 75 CO -0.14 0.47 -0.10 1.49 -1.16 0.00 0.00 179.01 179.57 3niv h GLU 76 N 0.12 -0.27 0.00 2.33 4.57 -0.66 -2.99 114.58 117.68 3niv h GLU 76 Ca 0.02 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3niv h GLU 76 Cb 0.66 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3niv h GLU 76 CO 0.05 0.11 0.00 1.51 -1.18 0.00 0.00 179.01 179.50 3niv n ILE 77 N -4.98 0.56 -3.25 2.32 3.06 -0.43 -4.14 119.36 112.50 3niv n ILE 77 Ca -0.08 0.01 -0.24 0.00 -2.50 0.00 0.00 62.75 59.95 3niv n ILE 77 Cb 0.26 -0.77 -0.08 0.00 0.54 0.00 0.00 39.64 39.59 3niv n ILE 77 CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 3niv n HIS 78 N -1.89 -1.06 0.26 9.51 -0.00 -0.07 -4.98 115.22 116.98 3niv n HIS 78 Ca 0.05 -3.19 0.17 0.00 0.46 0.00 0.00 57.72 55.22 3niv n HIS 78 Cb 0.31 0.20 0.91 0.00 -0.12 0.00 0.00 29.99 31.29 3niv n HIS 78 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3niv h PRO 79 N 4.96 0.00 -5.18 1.57 0.13 -1.68 -3.41 132.00 128.40 3niv h PRO 79 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 3niv h PRO 79 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 3niv h PRO 79 CO 0.37 0.00 0.06 0.39 -0.23 0.00 0.00 178.00 178.60 3niv n GLU 80 N -3.61 0.28 -4.11 0.86 1.02 -1.26 -4.89 120.64 108.92 3niv n GLU 80 Ca -0.00 -1.29 -0.15 0.00 -0.02 0.00 0.00 57.16 55.69 3niv n GLU 80 Cb 0.24 -3.73 -0.14 0.00 -0.02 0.00 0.00 31.44 27.79 3niv n GLU 80 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3niv s PRO 82 N 8.61 0.37 0.00 3.49 0.02 -1.26 -4.93 135.00 141.30 3niv s PRO 82 Ca 0.85 -0.15 0.24 0.00 0.02 0.00 0.00 61.00 61.96 3niv s PRO 82 Cb -0.10 -0.37 0.34 0.00 0.02 0.00 0.00 34.50 34.40 3niv s PRO 82 CO 0.15 0.08 1.30 1.28 -0.33 0.00 0.00 177.00 179.48 3niv n LEU 83 N 3.04 0.78 -4.33 -5.54 4.77 -1.26 -4.87 117.00 109.60 3niv n LEU 83 Ca -0.14 -0.20 -0.22 0.00 -0.03 0.00 0.00 56.01 55.42 3niv n LEU 83 Cb 0.58 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 3niv n LEU 83 CO 0.25 0.18 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.24 3niv s LEU 84 N -2.89 2.41 0.95 2.23 1.43 -1.26 -0.41 118.68 121.14 3niv s LEU 84 Ca 0.13 -0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 3niv s LEU 84 Cb 0.17 -0.84 0.16 0.00 0.03 0.00 0.00 46.19 45.72 3niv s LEU 84 CO 0.70 -0.02 1.15 -2.16 0.23 0.00 0.00 176.35 176.26 3niv s PRO 85 N -2.65 0.80 0.09 1.29 0.04 -1.26 -5.00 135.00 128.32 3niv s PRO 85 Ca 0.14 0.19 0.10 0.00 0.04 0.00 0.00 61.00 61.47 3niv s PRO 85 Cb -0.06 -1.81 -0.18 0.00 0.04 0.00 0.00 34.50 32.49 3niv s PRO 85 CO 0.06 -2.41 1.10 0.87 0.04 0.00 0.00 177.00 176.67 3niv h LYS 86 N -1.65 0.00 -6.33 4.56 1.57 -2.01 -3.39 116.57 109.32 3niv h LYS 86 Ca -0.49 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.75 3niv h LYS 86 Cb 1.32 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.63 3niv h LYS 86 CO 0.56 0.76 1.11 0.34 -0.57 0.00 0.00 179.45 181.65 3niv s ASP 87 N -6.45 6.59 0.26 0.86 2.15 -1.26 -4.88 116.67 113.93 3niv s ASP 87 Ca -0.00 2.42 -0.02 0.00 0.43 0.00 0.00 52.55 55.37 3niv s ASP 87 Cb 0.09 -2.54 0.49 0.00 -0.30 0.00 0.00 42.92 40.66 3niv s ASP 87 CO 0.81 -0.95 1.78 -0.65 -0.17 0.00 0.00 175.17 175.99 3niv h PRO 88 N 9.54 0.68 -0.06 4.34 0.11 -2.04 -0.34 132.00 144.24 3niv h PRO 88 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3niv h PRO 88 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3niv h PRO 88 CO 0.94 0.45 0.00 0.34 -0.21 0.00 0.00 178.00 179.53 3niv n PHE 89 N -4.81 0.00 0.00 0.65 7.35 -1.26 -1.74 117.46 117.65 3niv n PHE 89 Ca 0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 3niv n PHE 89 Cb 0.37 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.20 3niv n PHE 89 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 3niv n LYS 91 N -0.07 0.00 -0.14 -4.13 4.81 -0.14 -0.35 118.16 118.14 3niv n LYS 91 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 3niv n LYS 91 Cb 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.05 3niv n LYS 91 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3niv h ALA 92 N 0.00 0.59 -0.56 3.14 0.00 -1.58 -1.36 119.26 119.49 3niv h ALA 92 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.64 3niv h ALA 92 Cb 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3niv h ALA 92 CO 0.00 0.52 0.21 1.15 0.00 0.00 0.00 179.25 181.13 3niv h THR 93 N 0.68 0.81 -0.18 0.00 2.02 -0.95 0.58 112.91 115.88 3niv h THR 93 Ca 0.10 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 66.98 3niv h THR 93 Cb 0.70 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3niv h THR 93 CO 0.05 0.07 -0.56 -0.07 0.37 0.00 0.00 175.52 175.38 3niv h LEU 94 N 0.40 0.61 -1.26 2.58 4.07 -1.78 -2.65 115.31 117.28 3niv h LEU 94 Ca 0.27 -0.33 -0.05 0.00 0.08 0.00 0.00 57.88 57.86 3niv h LEU 94 Cb 0.31 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 3niv h LEU 94 CO -0.27 1.04 0.01 0.50 -1.08 0.00 0.00 178.44 178.65 3niv h LYS 95 N 0.42 0.52 -1.50 1.13 1.63 -0.73 -0.28 116.57 117.76 3niv h LYS 95 Ca 0.01 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3niv h LYS 95 Cb 1.10 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 3niv h LYS 95 CO 0.10 0.53 0.00 -1.13 -3.45 0.00 0.00 179.45 175.51 3niv n SER 96 N -4.29 1.48 0.00 4.20 3.41 0.15 -1.31 113.62 117.26 3niv n SER 96 Ca 0.02 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 3niv n SER 96 Cb 0.23 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3niv n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3niv n ALA 98 N 0.75 0.00 0.23 7.33 0.00 -0.11 -1.85 120.51 126.86 3niv n ALA 98 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3niv n ALA 98 Cb 0.25 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.10 3niv n ALA 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3niv h LEU 99 N 0.00 0.00 -0.39 0.00 3.38 -1.46 -0.20 115.31 116.64 3niv h LEU 99 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3niv h LEU 99 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3niv h LEU 99 CO 0.00 0.15 0.24 0.40 0.09 0.00 0.00 178.44 179.32 3niv h ILE 100 N 0.00 1.07 -0.01 1.22 2.04 -1.64 0.18 117.51 120.37 3niv h ILE 100 Ca -0.00 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3niv h ILE 100 Cb 0.82 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3niv h ILE 100 CO 0.02 0.09 -0.03 0.58 0.00 0.00 0.00 178.15 178.81 3niv h VAL 101 N 0.50 1.47 -0.08 1.67 2.07 -1.81 -1.09 116.25 118.98 3niv h VAL 101 Ca 0.15 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.15 3niv h VAL 101 Cb -0.03 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3niv h VAL 101 CO -0.05 0.37 -0.42 0.00 0.02 0.00 0.00 177.57 177.50 3niv h ALA 102 N 0.42 1.14 0.00 1.67 0.00 -0.95 -0.99 119.26 120.55 3niv h ALA 102 Ca -0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 3niv h ALA 102 Cb 0.62 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3niv h ALA 102 CO 0.01 0.58 -1.39 0.00 0.00 0.00 0.00 179.25 178.45 3niv n ASP 104 N -2.82 2.65 0.00 0.00 8.00 -0.41 -4.49 116.55 119.48 3niv n ASP 104 Ca -0.12 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.26 3niv n ASP 104 Cb 0.62 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3niv n ASP 104 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3niv n HIS 106 N 0.70 0.00 -0.36 1.24 -0.00 -0.38 -4.80 115.22 111.62 3niv n HIS 106 Ca 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.90 3niv n HIS 106 Cb 0.46 -0.07 0.17 0.00 -0.00 0.00 0.00 29.99 30.56 3niv n HIS 106 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3niv h PRO 107 N 0.00 1.09 0.00 1.57 0.11 -1.79 -1.06 132.00 131.92 3niv h PRO 107 Ca 0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 3niv h PRO 107 Cb 0.00 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 30.86 3niv h PRO 107 CO 0.00 0.72 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.44 3niv h LEU 108 N 1.13 0.00 -1.39 2.35 4.07 -1.89 -2.80 115.31 116.77 3niv h LEU 108 Ca 0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.39 3niv h LEU 108 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 3niv h LEU 108 CO -0.18 0.01 0.00 0.59 -1.08 0.00 0.00 178.44 177.77 3niv n ASN 109 N -3.14 1.76 -4.58 -0.43 3.02 -0.49 -4.71 115.26 106.70 3niv n ASN 109 Ca -0.02 -1.38 -0.41 0.00 -0.03 0.00 0.00 54.58 52.73 3niv n ASN 109 Cb 0.15 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 3niv n ASN 109 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3niv n ASN 110 N 0.48 0.78 -0.32 6.41 5.15 -0.68 -4.73 115.26 122.35 3niv n ASN 110 Ca 0.05 1.00 0.11 0.00 -0.60 0.00 0.00 54.58 55.15 3niv n ASN 110 Cb 0.22 -1.30 0.28 0.00 -0.53 0.00 0.00 39.78 38.46 3niv n ASN 110 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3niv h LEU 111 N 1.35 0.59 -2.27 1.20 5.85 -1.92 -0.08 115.31 120.03 3niv h LEU 111 Ca -0.43 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3niv h LEU 111 Cb 1.35 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 3niv h LEU 111 CO 0.56 0.19 -0.05 0.08 -0.34 0.00 0.00 178.44 178.88 3niv h ARG 112 N 0.63 0.00 0.08 1.25 0.11 -1.95 -0.19 114.38 114.31 3niv h ARG 112 Ca 0.53 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.48 3niv h ARG 112 Cb 0.85 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.94 3niv h ARG 112 CO -0.41 0.05 -0.58 0.28 0.10 0.00 0.00 179.97 179.41 3niv h VAL 113 N 0.00 1.56 -0.93 0.08 2.07 -1.33 -2.79 116.25 114.90 3niv h VAL 113 Ca -0.00 -2.45 0.08 0.00 0.82 0.00 0.00 66.70 65.15 3niv h VAL 113 Cb 0.16 3.20 -0.07 0.00 -1.52 0.00 0.00 31.29 33.06 3niv h VAL 113 CO 0.01 0.66 0.58 -0.07 0.02 0.00 0.00 177.57 178.77 3niv h LEU 114 N -0.62 0.91 -0.64 2.57 3.38 -1.04 -1.44 115.31 118.43 3niv h LEU 114 Ca -0.11 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3niv h LEU 114 Cb 1.41 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3niv h LEU 114 CO 0.08 0.56 0.33 0.78 0.09 0.00 0.00 178.44 180.27 3niv h ASN 115 N 1.03 0.82 -0.82 -0.43 2.35 -1.13 -1.25 115.58 116.14 3niv h ASN 115 Ca 0.42 -0.12 0.14 0.00 -0.55 0.00 0.00 56.30 56.19 3niv h ASN 115 Cb 0.24 -0.21 -0.09 0.00 0.05 0.00 0.00 38.32 38.31 3niv h ASN 115 CO -0.19 0.70 0.41 -0.09 -1.65 0.00 0.00 177.43 176.61 3niv h ARG 116 N 0.88 0.59 -0.39 0.81 9.65 -1.01 0.48 114.38 125.39 3niv h ARG 116 Ca 0.22 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.03 3niv h ARG 116 Cb 0.09 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 3niv h ARG 116 CO -0.03 0.39 0.11 -0.07 2.80 0.00 0.00 179.97 183.17 3niv h LEU 117 N 0.61 0.59 -0.66 3.80 3.38 -0.46 0.62 115.31 123.20 3niv h LEU 117 Ca 0.44 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3niv h LEU 117 Cb 0.60 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3niv h LEU 117 CO -0.35 0.66 0.38 0.11 0.09 0.00 0.00 178.44 179.32 3niv h LYS 118 N 0.49 0.91 0.10 1.13 1.57 -0.11 0.14 116.57 120.82 3niv h LYS 118 Ca 0.12 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3niv h LYS 118 Cb 0.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3niv h LYS 118 CO -0.00 0.67 -0.05 0.93 -0.57 0.00 0.00 179.45 180.43 3niv h GLU 119 N 0.90 -0.14 -0.00 3.15 5.08 0.26 0.40 114.58 124.24 3niv h GLU 119 Ca 0.23 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.42 3niv h GLU 119 Cb 0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3niv h GLU 119 CO -0.04 0.31 -0.82 0.37 -1.00 0.00 0.00 179.01 177.83 3niv h GLN 120 N -0.94 0.12 0.00 2.33 4.15 0.18 -3.30 115.11 117.65 3niv h GLN 120 Ca -0.01 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.28 3niv h GLN 120 Cb 0.50 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.23 3niv h GLN 120 CO 0.02 0.87 -0.00 1.19 -1.93 0.00 0.00 178.83 178.98 3niv n PHE 121 N -3.66 0.00 -3.77 3.99 3.72 0.38 -4.99 117.46 113.14 3niv n PHE 121 Ca -0.02 -0.45 -0.21 0.00 -0.05 0.00 0.00 57.45 56.72 3niv n PHE 121 Cb 0.77 -0.05 -0.00 0.00 -0.94 0.00 0.00 39.48 39.26 3niv n PHE 121 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3niv n ASN 122 N -0.46 -1.33 -4.77 4.37 0.23 0.14 -4.81 115.26 108.63 3niv n ASN 122 Ca 0.00 -0.62 -0.41 0.00 -0.53 0.00 0.00 54.58 53.03 3niv n ASN 122 Cb 0.29 -0.74 -0.02 0.00 -2.08 0.00 0.00 39.78 37.23 3niv n ASN 122 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3niv s ALA 123 N -4.15 3.51 0.60 -2.53 0.00 -0.93 -4.92 121.76 113.35 3niv s ALA 123 Ca 0.18 1.30 -0.05 0.00 0.00 0.00 0.00 51.96 53.38 3niv s ALA 123 Cb -0.10 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.54 3niv s ALA 123 CO 0.46 -0.69 0.90 0.54 0.00 0.00 0.00 175.76 176.97 3niv s ASN 124 N -0.44 5.48 0.38 0.00 2.20 -1.26 -4.54 114.94 116.75 3niv s ASN 124 Ca 0.49 0.61 0.16 0.00 -0.94 0.00 0.00 52.86 53.19 3niv s ASN 124 Cb -0.41 -1.56 1.06 0.00 -2.00 0.00 0.00 41.25 38.34 3niv s ASN 124 CO 0.54 -1.12 1.75 -0.33 -2.94 0.00 0.00 177.10 175.00 3niv h GLU 125 N -0.19 0.41 0.00 3.55 5.08 -2.00 0.62 114.58 122.06 3niv h GLU 125 Ca -0.45 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 3niv h GLU 125 Cb 1.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3niv h GLU 125 CO 0.60 0.27 -0.22 1.49 -1.00 0.00 0.00 179.01 180.15 3niv h GLU 126 N 0.43 0.00 0.16 2.33 4.81 -2.00 -2.62 114.58 117.70 3niv h GLU 126 Ca 0.63 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.52 3niv h GLU 126 Cb 1.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.88 3niv h GLU 126 CO -0.37 0.22 -1.71 1.96 -0.73 0.00 0.00 179.01 178.39 3niv h GLN 127 N 0.00 0.35 -0.45 1.92 4.20 -0.15 -2.76 115.11 118.22 3niv h GLN 127 Ca -0.00 -0.59 0.04 0.00 0.06 0.00 0.00 58.65 58.15 3niv h GLN 127 Cb 0.42 0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3niv h GLN 127 CO 0.03 1.24 0.23 0.28 -0.67 0.00 0.00 178.83 179.94 3niv h VAL 128 N 0.09 0.97 -0.23 -0.54 2.07 -1.28 -1.99 116.25 115.36 3niv h VAL 128 Ca -0.32 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3niv h VAL 128 Cb 2.08 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3niv h VAL 128 CO 0.17 0.08 -0.08 0.25 0.02 0.00 0.00 177.57 178.01 3niv h LEU 129 N 0.46 0.33 -0.58 2.57 5.85 -1.54 -0.90 115.31 121.50 3niv h LEU 129 Ca 0.19 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 3niv h LEU 129 Cb 0.09 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3niv h LEU 129 CO -0.13 0.45 -0.55 -0.08 -0.34 0.00 0.00 178.44 177.79 3niv h GLU 130 N 0.34 0.45 -0.19 1.25 4.81 -1.10 -1.43 114.58 118.71 3niv h GLU 130 Ca 0.07 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3niv h GLU 130 Cb 0.36 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3niv h GLU 130 CO 0.02 0.88 -0.01 2.35 -0.73 0.00 0.00 179.01 181.52 3niv h TRP 131 N 0.35 0.38 -0.58 0.92 2.91 -1.20 -1.94 115.95 116.79 3niv h TRP 131 Ca 0.01 -0.07 0.10 0.00 1.13 0.00 0.00 58.89 60.06 3niv h TRP 131 Cb 1.07 -0.10 -0.08 0.00 -0.51 0.00 0.00 29.16 29.54 3niv h TRP 131 CO 0.04 0.55 0.14 -0.92 -1.03 0.00 0.00 178.44 177.22 3niv h TYR 132 N 0.10 0.22 -0.04 2.65 5.03 -0.82 -2.22 116.97 121.88 3niv h TYR 132 Ca 0.05 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.24 3niv h TYR 132 Cb 0.41 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 3niv h TYR 132 CO 0.04 -0.01 -0.67 0.45 -1.32 0.00 0.00 178.16 176.65 3niv h HIS 133 N 0.28 0.25 -0.32 -3.82 3.86 -1.25 -2.22 115.15 111.92 3niv h HIS 133 Ca 0.30 -0.11 0.04 0.00 -1.16 0.00 0.00 60.37 59.44 3niv h HIS 133 Cb 0.43 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 3niv h HIS 133 CO -0.23 0.80 0.11 1.25 0.86 0.00 0.00 177.93 180.72 3niv h HIS 134 N 0.13 0.20 -0.00 2.45 -0.00 -0.75 -0.32 115.15 116.86 3niv h HIS 134 Ca -0.01 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.21 3niv h HIS 134 Cb 1.20 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.55 3niv h HIS 134 CO 0.02 0.09 -0.74 -1.49 -0.00 0.00 0.00 177.93 175.81 3niv h TRP 135 N 0.25 0.03 -0.16 5.26 -0.00 -1.35 0.27 115.95 120.26 3niv h TRP 135 Ca 0.14 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.01 3niv h TRP 135 Cb 0.11 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.26 3niv h TRP 135 CO -0.14 0.75 0.05 -0.07 -0.00 0.00 0.00 178.44 179.04 3niv h LEU 136 N 0.02 0.24 -0.16 -4.49 3.38 -1.21 -1.26 115.31 111.82 3niv h LEU 136 Ca -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3niv h LEU 136 Cb 1.31 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3niv h LEU 136 CO 0.10 0.37 0.02 0.50 0.09 0.00 0.00 178.44 179.51 3niv h LYS 137 N 0.09 0.27 -0.29 1.13 3.64 -0.88 0.35 116.57 120.89 3niv h LYS 137 Ca 0.05 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3niv h LYS 137 Cb 0.21 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 3niv h LYS 137 CO -0.00 0.47 -0.23 1.15 -2.27 0.00 0.00 179.45 178.56 3niv h THR 138 N 0.04 0.39 -0.28 1.00 2.02 -0.98 0.17 112.91 115.27 3niv h THR 138 Ca 0.05 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 3niv h THR 138 Cb 0.33 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3niv h THR 138 CO 0.01 0.00 -0.14 1.23 0.37 0.00 0.00 175.52 176.99 3niv h GLY 139 N -0.21 0.64 1.17 2.16 0.00 -1.04 -3.04 103.07 102.75 3niv h GLY 139 Ca 0.15 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 3niv h GLY 139 CO -0.42 0.53 -0.07 0.74 0.00 0.00 0.00 176.54 177.32 3niv h PHE 140 N 0.34 1.07 -0.58 5.60 0.04 -0.13 -1.87 116.94 121.40 3niv h PHE 140 Ca 0.06 -0.20 0.12 0.00 2.80 0.00 0.00 57.97 60.75 3niv h PHE 140 Cb 0.65 -0.27 -0.09 0.00 2.20 0.00 0.00 35.95 38.44 3niv h PHE 140 CO 0.06 0.99 0.04 -0.44 -0.60 0.00 0.00 178.31 178.36 3niv h ASP 141 N 0.88 -0.17 -0.03 2.17 3.32 -0.67 -0.46 116.42 121.47 3niv h ASP 141 Ca 0.15 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 3niv h ASP 141 Cb 0.61 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3niv h ASP 141 CO 0.04 -0.07 -0.07 0.00 -1.72 0.00 0.00 179.24 177.42 3niv h ALA 142 N 1.51 0.05 -0.12 3.45 0.00 -1.40 -2.54 119.26 120.20 3niv h ALA 142 Ca 0.30 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3niv h ALA 142 Cb 0.48 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3niv h ALA 142 CO -0.46 -0.11 -0.15 0.35 0.00 0.00 0.00 179.25 178.88 3niv h PHE 143 N -0.44 -0.38 -0.65 0.00 3.04 -1.17 -1.44 116.94 115.89 3niv h PHE 143 Ca 0.00 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.06 3niv h PHE 143 Cb 0.66 0.19 -0.07 0.00 2.56 0.00 0.00 35.95 39.29 3niv h PHE 143 CO 0.12 -0.22 0.29 1.49 -2.02 0.00 0.00 178.31 177.97 3niv h GLU 144 N -0.19 0.49 -0.73 1.11 4.57 -1.15 -0.24 114.58 118.44 3niv h GLU 144 Ca 0.09 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3niv h GLU 144 Cb 0.32 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3niv h GLU 144 CO -0.24 0.32 0.32 1.49 -1.18 0.00 0.00 179.01 179.73 3niv h GLU 145 N 0.50 1.07 0.00 1.92 4.57 -0.98 -0.60 114.58 121.05 3niv h GLU 145 Ca 0.32 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 3niv h GLU 145 Cb 0.37 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3niv h GLU 145 CO -0.28 0.86 -0.30 0.87 -1.18 0.00 0.00 179.01 178.98 3niv h LYS 146 N 1.03 0.00 -0.44 1.92 1.57 -0.78 -2.86 116.57 117.02 3niv h LYS 146 Ca 0.25 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.97 3niv h LYS 146 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3niv h LYS 146 CO -0.03 0.30 0.04 -0.07 -0.57 0.00 0.00 179.45 179.12 3niv h LEU 147 N 0.00 0.65 -1.52 2.94 4.07 0.47 -2.82 115.31 119.10 3niv h LEU 147 Ca -0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 3niv h LEU 147 Cb 0.55 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 3niv h LEU 147 CO 0.04 0.70 -0.04 1.23 -1.08 0.00 0.00 178.44 179.28 3niv h GLY 148 N 0.92 0.00 1.36 0.83 0.00 -1.09 -2.73 103.07 102.36 3niv h GLY 148 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3niv h GLY 148 CO 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 176.54 176.35 3niv n ALA 149 N -2.12 2.87 -2.83 3.60 0.00 -1.06 -4.90 120.51 116.06 3niv n ALA 149 Ca 0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 53.44 52.95 3niv n ALA 149 Cb 0.31 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 3niv n ALA 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3niv s LEU 150 N -2.86 3.92 -0.19 0.00 1.43 -1.03 -5.10 118.68 114.84 3niv s LEU 150 Ca 0.17 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.11 3niv s LEU 150 Cb 0.19 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 3niv s LEU 150 CO 0.57 0.05 0.07 -1.61 0.23 0.00 0.00 176.35 175.67 3niv s GLU 151 N -3.20 3.97 -0.02 1.70 2.02 -1.26 -5.04 118.70 116.86 3niv s GLU 151 Ca 0.32 -0.35 0.05 0.00 0.02 0.00 0.00 54.97 55.01 3niv s GLU 151 Cb -0.10 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 3niv s GLU 151 CO 0.25 0.24 -0.17 -0.98 0.02 0.00 0.00 175.26 174.61 3niv s ARG 152 N 0.48 1.51 0.00 1.61 1.70 -1.26 -1.95 118.95 121.04 3niv s ARG 152 Ca 0.03 -0.60 0.27 0.00 -0.47 0.00 0.00 55.73 54.97 3niv s ARG 152 Cb -0.13 -1.40 0.94 0.00 -0.57 0.00 0.00 34.95 33.79 3niv s ARG 152 CO 0.01 0.32 1.68 -3.47 -1.08 0.00 0.00 175.30 172.76 3niv n ASP 153 N 2.85 0.68 -3.31 -2.89 2.03 0.92 -4.92 116.55 111.90 3niv n ASP 153 Ca -0.16 -0.61 -0.04 0.00 0.52 0.00 0.00 54.79 54.50 3niv n ASP 153 Cb 0.54 0.03 0.02 0.00 -0.72 0.00 0.00 41.12 40.98 3niv n ASP 153 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3niv s LYS 154 N -2.58 1.51 -1.27 -0.67 -2.85 -1.25 -5.00 119.74 107.64 3niv s LYS 154 Ca 0.24 -0.96 -0.19 0.00 -1.00 0.00 0.00 55.97 54.06 3niv s LYS 154 Cb 0.19 0.43 0.02 0.00 -2.06 0.00 0.00 37.83 36.41 3niv s LYS 154 CO 0.52 -0.71 1.88 -2.30 0.10 0.00 0.00 175.35 174.85 3niv n PRO 155 N -0.63 2.69 -4.22 1.78 -0.02 -1.26 -4.81 135.00 128.51 3niv n PRO 155 Ca -0.04 -2.89 -0.14 0.00 -2.02 0.00 0.00 63.50 58.41 3niv n PRO 155 Cb 0.60 -3.47 -0.09 0.00 -0.02 0.00 0.00 33.50 30.51 3niv n PRO 155 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3niv s VAL 156 N 5.50 0.00 0.33 -1.45 -7.23 -1.26 -4.38 120.40 111.91 3niv s VAL 156 Ca 0.56 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 3niv s VAL 156 Cb 0.06 -2.50 0.18 0.00 0.56 0.00 0.00 36.38 34.68 3niv s VAL 156 CO 0.06 0.00 1.90 0.00 -0.31 0.00 0.00 175.10 176.75 3niv s PHE 158 N -5.20 -0.65 0.00 0.00 5.36 -1.26 -4.83 117.98 111.40 3niv s PHE 158 Ca -0.09 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 3niv s PHE 158 Cb 0.16 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 43.16 3niv s PHE 158 CO 0.77 -0.31 0.00 0.41 -1.46 0.00 0.00 175.22 174.63 3niv n GLY 159 N 2.52 1.25 0.14 13.12 0.00 -0.82 -4.04 105.19 117.37 3niv n GLY 159 Ca -0.13 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.29 3niv n GLY 159 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3niv n SER 160 N 5.01 1.03 -3.99 1.61 7.64 -1.26 -0.06 113.62 123.60 3niv n SER 160 Ca 0.00 -1.97 -0.18 0.00 1.01 0.00 0.00 58.87 57.73 3niv n SER 160 Cb 0.00 -0.15 -0.15 0.00 -1.01 0.00 0.00 64.21 62.90 3niv n SER 160 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3niv s GLU 161 N -0.89 0.71 0.49 1.43 2.12 -1.26 -4.98 118.70 116.32 3niv s GLU 161 Ca 0.07 -0.26 -0.22 0.00 0.36 0.00 0.00 54.97 54.92 3niv s GLU 161 Cb 0.06 -0.68 -0.07 0.00 0.26 0.00 0.00 34.13 33.70 3niv s GLU 161 CO 0.01 0.13 1.18 0.08 -0.54 0.00 0.00 175.26 176.11 3niv s VAL 162 N 0.02 3.00 0.00 3.70 1.01 -1.26 -4.70 120.40 122.17 3niv s VAL 162 Ca -0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3niv s VAL 162 Cb -0.05 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3niv s VAL 162 CO -0.00 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.67 3niv n GLY 163 N 0.42 3.14 0.27 4.51 0.00 -1.26 -4.80 105.19 107.46 3niv n GLY 163 Ca 0.09 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 3niv n GLY 163 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3niv h LEU 164 N 0.00 -0.75 -1.04 0.99 5.85 -1.10 -0.94 115.31 118.32 3niv h LEU 164 Ca 0.00 0.15 0.14 0.00 0.84 0.00 0.00 57.88 59.01 3niv h LEU 164 Cb 0.00 0.37 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 3niv h LEU 164 CO 0.00 -0.26 0.62 0.00 -0.34 0.00 0.00 178.44 178.46 3niv h ALA 165 N 0.93 1.59 -0.22 1.25 0.00 -1.85 -1.07 119.26 119.90 3niv h ALA 165 Ca 0.16 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3niv h ALA 165 Cb 0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3niv h ALA 165 CO -0.43 0.13 -0.37 -0.44 0.00 0.00 0.00 179.25 178.14 3niv h ASP 166 N 0.91 0.70 -0.88 0.00 5.19 -1.77 -0.43 116.42 120.14 3niv h ASP 166 Ca 0.51 -0.53 0.13 0.00 -0.62 0.00 0.00 57.03 56.53 3niv h ASP 166 Cb 0.62 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 39.86 3niv h ASP 166 CO -0.29 1.10 0.57 0.58 -3.12 0.00 0.00 179.24 178.08 3niv h VAL 167 N 0.33 0.86 0.00 -1.35 2.07 -0.25 -1.81 116.25 116.10 3niv h VAL 167 Ca 0.02 -0.24 -0.23 0.00 0.82 0.00 0.00 66.70 67.06 3niv h VAL 167 Cb 0.96 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3niv h VAL 167 CO 0.08 0.13 -1.43 0.00 0.02 0.00 0.00 177.57 176.37 3niv h LEU 169 N 0.00 -0.20 -0.24 0.00 5.85 -0.43 -3.24 115.31 117.06 3niv h LEU 169 Ca -0.19 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.30 3niv h LEU 169 Cb 1.82 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.84 3niv h LEU 169 CO 0.08 0.22 -0.18 0.40 -0.34 0.00 0.00 178.44 178.62 3niv h ILE 170 N -0.67 0.50 -0.32 4.05 5.03 -1.54 -0.04 117.51 124.53 3niv h ILE 170 Ca -0.02 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.74 3niv h ILE 170 Cb 0.48 0.50 -0.02 0.00 -3.03 0.00 0.00 36.82 34.75 3niv h ILE 170 CO 0.04 0.00 0.21 -0.65 -0.68 0.00 0.00 178.15 177.07 3niv h PRO 171 N -0.18 0.32 -0.17 2.37 0.11 -1.76 -0.86 132.00 131.82 3niv h PRO 171 Ca 0.13 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.01 3niv h PRO 171 Cb 0.38 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.43 3niv h PRO 171 CO -0.34 0.21 -0.75 0.37 -0.21 0.00 0.00 178.00 177.28 3niv h GLN 172 N 0.33 0.81 -0.20 1.05 5.75 -1.09 -2.11 115.11 119.64 3niv h GLN 172 Ca 0.13 -0.64 -0.03 0.00 -0.15 0.00 0.00 58.65 57.96 3niv h GLN 172 Cb 0.11 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 3niv h GLN 172 CO -0.03 1.25 0.00 0.28 -2.65 0.00 0.00 178.83 177.69 3niv h VAL 173 N 0.55 1.12 -0.11 2.39 2.07 -0.72 -2.08 116.25 119.48 3niv h VAL 173 Ca -0.05 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3niv h VAL 173 Cb 1.38 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3niv h VAL 173 CO 0.16 0.16 0.05 0.22 0.02 0.00 0.00 177.57 178.17 3niv h TYR 174 N 0.28 0.16 -0.98 1.57 5.03 -0.82 -2.20 116.97 120.01 3niv h TYR 174 Ca 0.07 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.44 3niv h TYR 174 Cb 0.19 -0.05 -0.07 0.00 1.55 0.00 0.00 36.73 38.35 3niv h TYR 174 CO 0.00 0.25 0.62 -0.91 -1.32 0.00 0.00 178.16 176.80 3niv h ASN 175 N 0.03 0.97 -0.60 -2.11 2.35 -0.95 -0.91 115.58 114.37 3niv h ASN 175 Ca 0.04 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.88 3niv h ASN 175 Cb 0.15 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.27 3niv h ASN 175 CO -0.00 0.60 0.26 0.00 -1.65 0.00 0.00 177.43 176.64 3niv h ALA 176 N 1.46 0.78 -0.32 -0.83 0.00 -1.01 -0.88 119.26 118.46 3niv h ALA 176 Ca 0.44 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.22 3niv h ALA 176 Cb 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3niv h ALA 176 CO -0.19 -0.12 -0.50 0.45 0.00 0.00 0.00 179.25 178.89 3niv h HIS 177 N 0.48 1.11 -0.12 0.00 3.86 -0.92 0.15 115.15 119.71 3niv h HIS 177 Ca 0.29 -0.37 0.01 0.00 -1.16 0.00 0.00 60.37 59.13 3niv h HIS 177 Cb 0.29 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3niv h HIS 177 CO -0.13 1.20 0.08 -0.09 0.86 0.00 0.00 177.93 179.85 3niv h ARG 178 N 0.70 0.12 -0.44 2.45 2.43 -0.57 -0.89 114.38 118.18 3niv h ARG 178 Ca 0.03 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 3niv h ARG 178 Cb 1.10 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.54 3niv h ARG 178 CO 0.11 0.08 0.08 1.19 -1.51 0.00 0.00 179.97 179.92 3niv n PHE 179 N -4.52 1.46 -3.71 2.20 3.01 -0.39 -4.96 117.46 110.56 3niv n PHE 179 Ca -0.01 -1.25 -0.22 0.00 1.01 0.00 0.00 57.45 56.98 3niv n PHE 179 Cb 0.11 -0.50 0.04 0.00 -0.01 0.00 0.00 39.48 39.12 3niv n PHE 179 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3niv n HIS 180 N -0.68 -1.98 -4.07 1.38 8.25 -0.34 -4.96 115.22 112.82 3niv n HIS 180 Ca 0.32 0.86 -0.35 0.00 -0.26 0.00 0.00 57.72 58.28 3niv n HIS 180 Cb 1.10 -4.40 -0.08 0.00 1.12 0.00 0.00 29.99 27.72 3niv n HIS 180 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3niv s PHE 181 N -3.61 3.33 0.86 4.41 5.36 0.49 -5.03 117.98 123.79 3niv s PHE 181 Ca 0.08 0.25 -0.12 0.00 -0.96 0.00 0.00 56.93 56.19 3niv s PHE 181 Cb -0.04 -1.95 0.19 0.00 -0.34 0.00 0.00 43.02 40.88 3niv s PHE 181 CO 0.81 0.43 1.17 -3.47 -1.46 0.00 0.00 175.22 172.70 3niv n ASP 182 N 2.65 0.40 0.00 6.13 2.03 -1.26 -4.51 116.55 121.99 3niv n ASP 182 Ca -0.18 -1.62 0.00 0.00 0.52 0.00 0.00 54.79 53.51 3niv n ASP 182 Cb 0.53 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 3niv n ASP 182 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3niv n ALA 184 N -3.57 0.00 1.93 -1.67 0.00 -1.26 -4.91 120.51 111.02 3niv n ALA 184 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.32 3niv n ALA 184 Cb 0.55 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.42 3niv n ALA 184 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3niv n SER 185 N 0.36 0.15 -3.25 0.00 2.88 -1.26 -4.36 113.62 108.14 3niv n SER 185 Ca 0.00 -1.57 -0.24 0.00 -1.33 0.00 0.00 58.87 55.73 3niv n SER 185 Cb 0.00 -0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.38 3niv n SER 185 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3niv n TYR 186 N -0.63 1.19 0.02 0.66 4.01 -1.26 -4.96 117.16 116.19 3niv n TYR 186 Ca 0.11 -3.80 -0.10 0.00 -0.16 0.00 0.00 57.90 53.95 3niv n TYR 186 Cb 0.07 -0.43 -0.04 0.00 -0.31 0.00 0.00 39.34 38.64 3niv n TYR 186 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3niv h PRO 187 N 3.89 -0.23 -0.52 -0.72 0.11 -2.00 0.30 132.00 132.83 3niv h PRO 187 Ca 0.12 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 3niv h PRO 187 Cb 0.80 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3niv h PRO 187 CO 0.60 -0.15 0.04 0.82 -0.21 0.00 0.00 178.00 179.10 3niv h ILE 188 N -0.24 1.24 -0.05 4.15 2.04 -1.96 -1.82 117.51 120.88 3niv h ILE 188 Ca 0.08 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3niv h ILE 188 Cb 0.34 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3niv h ILE 188 CO -0.21 0.35 0.01 0.40 0.00 0.00 0.00 178.15 178.70 3niv h ILE 189 N 0.80 1.22 -0.89 -0.67 2.04 -1.90 -2.61 117.51 115.50 3niv h ILE 189 Ca 0.16 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.42 3niv h ILE 189 Cb 0.42 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 3niv h ILE 189 CO 0.01 0.18 0.58 0.78 0.00 0.00 0.00 178.15 179.71 3niv h ASN 190 N -0.17 0.92 -0.21 1.72 2.35 -0.62 0.16 115.58 119.72 3niv h ASN 190 Ca 0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3niv h ASN 190 Cb 0.28 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3niv h ASN 190 CO 0.00 0.61 0.01 -0.33 -1.65 0.00 0.00 177.43 176.07 3niv h GLU 191 N 1.05 0.37 -0.33 0.81 5.08 -1.36 -1.13 114.58 119.07 3niv h GLU 191 Ca 0.37 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3niv h GLU 191 Cb 0.13 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3niv h GLU 191 CO -0.13 0.55 0.19 0.82 -1.00 0.00 0.00 179.01 179.43 3niv h ILE 192 N 0.14 1.13 -0.68 3.13 2.04 -0.91 0.22 117.51 122.59 3niv h ILE 192 Ca 0.06 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.65 3niv h ILE 192 Cb 0.37 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 3niv h ILE 192 CO 0.01 0.13 0.39 -1.13 0.00 0.00 0.00 178.15 177.55 3niv h ASN 193 N 0.42 0.61 -0.02 1.72 -1.24 -0.70 0.12 115.58 116.49 3niv h ASN 193 Ca 0.12 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 3niv h ASN 193 Cb 0.04 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 38.99 3niv h ASN 193 CO -0.02 0.40 0.01 -0.08 -1.29 0.00 0.00 177.43 176.45 3niv h GLU 194 N 0.74 0.03 -0.10 6.67 4.81 -0.59 -1.72 114.58 124.42 3niv h GLU 194 Ca 0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3niv h GLU 194 Cb 0.13 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 3niv h GLU 194 CO -0.16 0.21 0.06 -0.92 -0.73 0.00 0.00 179.01 177.48 3niv h TYR 195 N -0.17 0.12 -0.23 0.92 3.20 -0.24 -2.58 116.97 118.00 3niv h TYR 195 Ca 0.01 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.91 3niv h TYR 195 Cb 0.20 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3niv h TYR 195 CO -0.01 0.08 0.16 0.00 -1.64 0.00 0.00 178.16 176.74 3niv n LEU 197 N -4.50 0.65 -0.09 0.00 4.77 -0.65 -1.86 117.00 115.32 3niv n LEU 197 Ca 0.01 0.59 0.15 0.00 -0.03 0.00 0.00 56.01 56.74 3niv n LEU 197 Cb 0.16 -0.42 0.80 0.00 -2.33 0.00 0.00 43.42 41.64 3niv n LEU 197 CO 0.35 -0.27 1.02 0.35 -1.33 0.00 0.00 177.39 177.51 3niv n THR 198 N -2.14 0.00 -3.65 -5.08 -2.24 -0.29 -4.47 114.28 96.41 3niv n THR 198 Ca 0.05 -0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3niv n THR 198 Cb 0.35 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 3niv n THR 198 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3niv s LEU 199 N -2.17 4.28 0.37 3.22 1.43 -0.78 -5.00 118.68 120.04 3niv s LEU 199 Ca 0.40 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 54.02 3niv s LEU 199 Cb 0.21 -2.26 0.73 0.00 0.03 0.00 0.00 46.19 44.91 3niv s LEU 199 CO 0.40 0.20 1.99 -0.65 0.23 0.00 0.00 176.35 178.52 3niv h PRO 200 N 6.16 0.73 -0.47 1.29 0.11 -1.87 0.88 132.00 138.83 3niv h PRO 200 Ca -0.45 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3niv h PRO 200 Cb 1.18 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 3niv h PRO 200 CO 0.71 0.48 0.25 0.00 -0.21 0.00 0.00 178.00 179.23 3niv h ALA 201 N 1.63 0.60 0.00 -0.75 0.00 -1.91 0.34 119.26 119.17 3niv h ALA 201 Ca 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3niv h ALA 201 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3niv h ALA 201 CO -0.07 -0.10 -0.00 0.74 0.00 0.00 0.00 179.25 179.82 3niv h PHE 202 N 0.49 -0.00 -0.95 0.00 -1.00 -1.62 -3.26 116.94 110.60 3niv h PHE 202 Ca 0.20 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.05 3niv h PHE 202 Cb 0.10 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.59 3niv h PHE 202 CO -0.10 0.67 0.61 1.25 -1.61 0.00 0.00 178.31 179.13 3niv h HIS 203 N -0.68 1.12 0.00 -0.55 2.76 -0.63 0.02 115.15 117.19 3niv h HIS 203 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3niv h HIS 203 Cb 0.67 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.27 3niv h HIS 203 CO 0.16 0.56 0.00 -0.25 -1.30 0.00 0.00 177.93 177.10 3niv n ASP 204 N -4.56 0.00 0.00 3.26 8.00 0.12 -2.93 116.55 120.44 3niv n ASP 204 Ca 0.15 -0.01 0.10 0.00 0.71 0.00 0.00 54.79 55.74 3niv n ASP 204 Cb 0.20 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 3niv n ASP 204 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3niv n ALA 205 N -1.32 4.20 -1.61 2.24 0.00 -0.03 -4.57 120.51 119.42 3niv n ALA 205 Ca 0.12 -0.56 -0.36 0.00 0.00 0.00 0.00 53.44 52.64 3niv n ALA 205 Cb 0.23 -0.80 0.08 0.00 0.00 0.00 0.00 19.45 18.96 3niv n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3niv n ALA 206 N -1.68 0.89 -0.20 0.00 0.00 -1.08 -4.70 120.51 113.74 3niv n ALA 206 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.41 3niv n ALA 206 Cb 0.39 -2.30 0.11 0.00 0.00 0.00 0.00 19.45 17.65 3niv n ALA 206 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3niv h PRO 207 N 0.27 0.21 -0.54 0.00 0.11 -1.93 0.49 132.00 130.61 3niv h PRO 207 Ca -0.50 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3niv h PRO 207 Cb 1.33 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3niv h PRO 207 CO 0.52 0.14 0.16 0.93 -0.21 0.00 0.00 178.00 179.53 3niv h GLU 208 N 0.21 0.81 -0.44 1.05 3.07 -1.90 -0.89 114.58 116.48 3niv h GLU 208 Ca 0.32 -0.15 -0.13 0.00 -0.50 0.00 0.00 59.36 58.90 3niv h GLU 208 Cb 0.50 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3niv h GLU 208 CO -0.44 0.71 -0.23 0.00 -1.40 0.00 0.00 179.01 177.65 3niv h ALA 209 N 1.38 0.74 0.00 3.43 0.00 -1.64 -2.38 119.26 120.80 3niv h ALA 209 Ca 0.18 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3niv h ALA 209 Cb 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3niv h ALA 209 CO -0.01 0.66 0.00 0.82 0.00 0.00 0.00 179.25 180.73 3niv h ILE 210 N 0.79 0.00 0.19 0.00 1.08 -0.17 -3.06 117.51 116.33 3niv h ILE 210 Ca 0.10 -0.29 -0.26 0.00 -0.39 0.00 0.00 64.86 64.03 3niv h ILE 210 Cb 0.79 1.23 0.03 0.00 -3.07 0.00 0.00 36.82 35.80 3niv h ILE 210 CO 0.07 0.00 -1.15 0.28 -0.69 0.00 0.00 178.15 176.66 3niv h SER 211 N 0.00 0.61 0.00 1.72 0.02 -0.67 -3.49 113.55 111.75 3niv h SER 211 Ca 0.00 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 3niv h SER 211 Cb 0.30 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3niv h SER 211 CO 0.00 1.55 0.00 -1.20 -1.14 0.00 0.00 176.83 176.04