#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 3.05 -0.29 -0.08 1.01 -0.99 0.61 121.20 124.51 3niv s ILE 2 Ca 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 3niv s ILE 2 Cb 0.00 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 40.11 3niv s ILE 2 CO 0.00 0.45 0.08 -0.22 0.00 0.00 0.00 174.94 175.25 3niv s LEU 3 N 1.40 3.75 -0.22 2.97 2.96 0.02 0.18 118.68 129.75 3niv s LEU 3 Ca 0.05 -0.60 -0.29 0.00 -0.22 0.00 0.00 54.13 53.07 3niv s LEU 3 Cb -0.14 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 3niv s LEU 3 CO -0.05 -0.16 1.35 -0.31 -1.32 0.00 0.00 176.35 175.86 3niv s TYR 4 N 1.52 2.63 0.15 5.38 2.02 0.18 -1.11 117.35 128.12 3niv s TYR 4 Ca 0.03 0.84 0.06 0.00 -0.37 0.00 0.00 57.07 57.64 3niv s TYR 4 Cb -0.17 -3.76 -0.04 0.00 -0.40 0.00 0.00 41.96 37.59 3niv s TYR 4 CO 0.03 -2.00 -0.14 0.34 -1.57 0.00 0.00 175.55 172.21 3niv s ASP 5 N 2.70 2.17 -0.03 2.29 2.15 0.22 -2.37 116.67 123.80 3niv s ASP 5 Ca 0.59 -0.92 -0.00 0.00 0.43 0.00 0.00 52.55 52.65 3niv s ASP 5 Cb -0.21 -0.08 0.03 0.00 -0.30 0.00 0.00 42.92 42.36 3niv s ASP 5 CO 0.21 -0.19 0.02 -0.47 -0.17 0.00 0.00 175.17 174.58 3niv s TYR 6 N -2.64 0.12 0.40 -5.34 5.04 -1.26 -1.05 117.35 112.63 3niv s TYR 6 Ca 0.15 0.10 0.13 0.00 -2.44 0.00 0.00 57.07 55.01 3niv s TYR 6 Cb -0.02 -0.32 0.96 0.00 0.35 0.00 0.00 41.96 42.93 3niv s TYR 6 CO 0.04 -0.11 1.91 0.27 -1.34 0.00 0.00 175.55 176.31 3niv h PHE 7 N 7.40 0.61 -0.12 4.97 -5.15 -1.92 -2.33 116.94 120.40 3niv h PHE 7 Ca -0.42 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.37 3niv h PHE 7 Cb 1.12 -0.19 0.00 0.00 0.22 0.00 0.00 35.95 37.10 3niv h PHE 7 CO 0.51 0.24 0.00 -2.13 -2.00 0.00 0.00 178.31 174.92 3niv n ARG 8 N -4.50 1.81 -1.84 6.09 0.63 -1.26 -4.26 116.66 113.32 3niv n ARG 8 Ca 0.15 -1.76 -0.42 0.00 -0.92 0.00 0.00 57.85 54.90 3niv n ARG 8 Cb 0.49 -1.38 -0.03 0.00 0.45 0.00 0.00 32.46 31.99 3niv n ARG 8 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3niv s SER 9 N -1.46 6.54 0.18 6.15 0.15 -0.88 -4.89 113.70 119.49 3niv s SER 9 Ca 0.25 2.57 -0.10 0.00 0.70 0.00 0.00 55.95 59.37 3niv s SER 9 Cb 0.16 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 62.00 3niv s SER 9 CO 0.24 -0.94 1.69 0.74 1.20 0.00 0.00 173.24 176.17 3niv h THR 10 N 4.89 1.26 -0.36 6.45 2.02 -1.91 -1.52 112.91 123.74 3niv h THR 10 Ca -0.44 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 65.77 3niv h THR 10 Cb 1.21 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3niv h THR 10 CO 0.94 0.37 0.20 0.00 0.37 0.00 0.00 175.52 177.40 3niv h ALA 11 N 1.05 0.44 -1.00 6.16 0.00 -1.93 -2.43 119.26 121.55 3niv h ALA 11 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3niv h ALA 11 Cb 0.41 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3niv h ALA 11 CO 0.01 -0.16 0.66 0.00 0.00 0.00 0.00 179.25 179.76 3niv h TYR 13 N 1.36 -0.24 -0.43 0.00 5.03 -0.89 0.23 116.97 122.03 3niv h TYR 13 Ca 0.37 0.04 0.09 0.00 2.58 0.00 0.00 58.73 61.80 3niv h TYR 13 Cb -0.16 0.17 -0.09 0.00 1.55 0.00 0.00 36.73 38.20 3niv h TYR 13 CO -0.00 -0.19 -0.20 0.00 -1.32 0.00 0.00 178.16 176.45 3niv h ARG 14 N -0.01 -0.12 -0.22 1.82 3.08 -0.91 -0.09 114.38 117.94 3niv h ARG 14 Ca 0.20 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 3niv h ARG 14 Cb 0.32 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3niv h ARG 14 CO -0.44 -0.08 -0.00 0.28 -1.07 0.00 0.00 179.97 178.66 3niv h VAL 15 N -0.12 1.25 -0.81 2.04 2.07 -1.05 -1.73 116.25 117.90 3niv h VAL 15 Ca 0.21 -0.88 0.13 0.00 0.82 0.00 0.00 66.70 66.98 3niv h VAL 15 Cb 0.44 1.41 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 3niv h VAL 15 CO -0.50 0.27 0.41 0.03 0.02 0.00 0.00 177.57 177.80 3niv h ARG 16 N 0.15 0.60 -0.03 1.57 3.08 -0.05 -0.18 114.38 119.50 3niv h ARG 16 Ca 0.06 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3niv h ARG 16 Cb 0.40 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 3niv h ARG 16 CO 0.01 0.40 0.01 0.82 -1.07 0.00 0.00 179.97 180.14 3niv h ILE 17 N 0.62 1.13 -0.13 2.04 2.04 -0.81 -2.46 117.51 119.94 3niv h ILE 17 Ca 0.43 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.96 3niv h ILE 17 Cb 0.57 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 3niv h ILE 17 CO -0.34 0.10 -0.13 0.00 0.00 0.00 0.00 178.15 177.78 3niv h ALA 18 N 0.86 -0.04 -0.65 1.87 0.00 -0.25 -1.01 119.26 120.04 3niv h ALA 18 Ca 0.01 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.11 3niv h ALA 18 Cb 0.15 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 3niv h ALA 18 CO -0.00 -0.58 0.02 -0.07 0.00 0.00 0.00 179.25 178.62 3niv h LEU 19 N -0.16 -0.25 -0.14 0.00 3.38 -1.09 -1.44 115.31 115.61 3niv h LEU 19 Ca 0.09 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3niv h LEU 19 Cb 0.29 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3niv h LEU 19 CO -0.23 -0.11 0.08 0.78 0.09 0.00 0.00 178.44 179.05 3niv h ASN 20 N 0.13 0.17 -0.48 -0.43 -0.26 -0.76 0.12 115.58 114.06 3niv h ASN 20 Ca 0.34 -0.07 0.04 0.00 -0.56 0.00 0.00 56.30 56.06 3niv h ASN 20 Cb 0.57 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.76 3niv h ASN 20 CO -0.54 0.19 0.32 -0.07 -1.06 0.00 0.00 177.43 176.26 3niv h LEU 21 N 0.13 0.43 -1.04 1.61 3.38 -0.74 0.14 115.31 119.23 3niv h LEU 21 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3niv h LEU 21 Cb 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3niv h LEU 21 CO -0.01 0.29 0.00 0.29 0.09 0.00 0.00 178.44 179.10 3niv n LYS 22 N -4.48 1.71 -1.58 1.13 5.02 -0.59 -4.92 118.16 114.45 3niv n LYS 22 Ca 0.06 -1.04 -0.16 0.00 -2.02 0.00 0.00 58.31 55.15 3niv n LYS 22 Cb 0.18 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.26 -1.43 -2.32 1.97 5.02 0.49 -4.88 118.16 117.27 3niv n LYS 23 Ca 0.18 0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 56.99 3niv n LYS 23 Cb 0.36 -5.28 -0.03 0.00 -0.02 0.00 0.00 35.03 30.06 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 -2.43 3.71 0.23 -0.18 1.01 -0.85 -4.98 121.20 117.70 3niv s ILE 24 Ca 0.00 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.60 3niv s ILE 24 Cb 0.00 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 3niv s ILE 24 CO 0.00 0.11 1.22 0.00 0.00 0.00 0.00 174.94 176.27 3niv s ALA 25 N 0.97 3.46 0.12 9.38 0.00 -1.26 -4.77 121.76 129.65 3niv s ALA 25 Ca 0.60 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 3niv s ALA 25 Cb -0.33 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.41 3niv s ALA 25 CO 0.30 -0.41 0.40 1.52 0.00 0.00 0.00 175.76 177.58 3niv s TYR 26 N -0.38 -0.20 -0.02 0.00 -0.85 -1.26 -4.31 117.35 110.32 3niv s TYR 26 Ca 0.52 -0.10 0.05 0.00 -0.52 0.00 0.00 57.07 57.02 3niv s TYR 26 Cb -0.34 0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 3niv s TYR 26 CO 0.40 -0.69 -0.18 -1.83 -1.52 0.00 0.00 175.55 171.74 3niv s GLU 27 N -3.71 2.32 -0.29 -3.49 4.04 0.20 -4.98 118.70 112.78 3niv s GLU 27 Ca 0.02 -0.81 -0.03 0.00 0.04 0.00 0.00 54.97 54.19 3niv s GLU 27 Cb 0.02 -2.26 0.04 0.00 0.02 0.00 0.00 34.13 31.94 3niv s GLU 27 CO -0.11 0.59 0.02 0.21 -1.84 0.00 0.00 175.26 174.12 3niv s LYS 28 N -0.87 2.65 -0.22 -4.83 2.20 -1.26 -0.80 119.74 116.61 3niv s LYS 28 Ca 0.12 -1.13 -0.13 0.00 -0.36 0.00 0.00 55.97 54.48 3niv s LYS 28 Cb -0.10 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 3niv s LYS 28 CO 0.01 -0.55 0.25 0.42 -0.36 0.00 0.00 175.35 175.12 3niv s ILE 29 N 1.33 5.30 0.32 5.43 1.09 -0.27 -4.97 121.20 129.45 3niv s ILE 29 Ca -0.02 0.39 -0.16 0.00 -1.10 0.00 0.00 60.65 59.75 3niv s ILE 29 Cb -0.19 -3.59 -0.09 0.00 -1.06 0.00 0.00 42.46 37.54 3niv s ILE 29 CO -0.01 0.32 0.76 -1.61 -0.10 0.00 0.00 174.94 174.31 3niv s GLU 30 N 1.04 4.06 -0.12 2.79 0.41 -1.26 0.70 118.70 126.33 3niv s GLU 30 Ca 0.12 0.75 0.02 0.00 -0.41 0.00 0.00 54.97 55.45 3niv s GLU 30 Cb -0.14 -2.46 0.01 0.00 -1.78 0.00 0.00 34.13 29.77 3niv s GLU 30 CO 0.05 0.17 -0.17 0.08 -0.49 0.00 0.00 175.26 174.90 3niv s VAL 31 N -1.95 1.63 -0.03 2.63 1.01 -0.21 -4.83 120.40 118.65 3niv s VAL 31 Ca 0.54 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3niv s VAL 31 Cb -0.11 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 3niv s VAL 31 CO 0.17 0.47 -0.14 -1.00 0.00 0.00 0.00 175.10 174.60 3niv s HIS 32 N 0.94 1.38 0.28 5.22 0.09 -1.26 -4.75 115.29 117.18 3niv s HIS 32 Ca -0.07 -0.36 -0.28 0.00 -0.00 0.00 0.00 55.06 54.36 3niv s HIS 32 Cb -0.15 -0.94 -0.09 0.00 -0.00 0.00 0.00 32.58 31.40 3niv s HIS 32 CO -0.02 -0.12 0.93 -1.17 -0.00 0.00 0.00 174.74 174.37 3niv s LEU 33 N 0.02 4.50 -0.08 0.89 2.96 -1.26 -5.06 118.68 120.65 3niv s LEU 33 Ca -0.02 1.88 0.05 0.00 -0.22 0.00 0.00 54.13 55.82 3niv s LEU 33 Cb -0.09 -3.79 -0.00 0.00 0.50 0.00 0.00 46.19 42.80 3niv s LEU 33 CO 0.01 0.05 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.18 3niv s VAL 34 N -1.39 1.92 0.00 1.68 1.01 -1.26 -5.34 120.40 117.02 3niv s VAL 34 Ca 0.45 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3niv s VAL 34 Cb -0.22 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3niv s VAL 34 CO 0.28 0.53 0.00 0.59 0.00 0.00 0.00 175.10 176.50 3niv n ASN 35 N 3.33 0.00 0.00 3.32 5.03 -1.26 -5.37 115.26 120.30 3niv n ASN 35 Ca -0.19 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.26 3niv n ASN 35 Cb 0.53 -1.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.16 3niv n ASN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3niv n LEU 53 N 0.00 0.00 -4.13 3.41 -0.00 -1.26 -5.31 117.00 109.70 3niv n LEU 53 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 3niv n LEU 53 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 3niv n LEU 53 CO 0.00 0.00 -0.44 0.68 -0.00 0.00 0.00 177.39 177.63 3niv s VAL 54 N -2.00 0.92 0.30 1.47 -7.23 -1.26 -4.01 120.40 108.59 3niv s VAL 54 Ca 0.00 -1.22 -0.28 0.00 -1.81 0.00 0.00 61.98 58.66 3niv s VAL 54 Cb 0.00 -0.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 3niv s VAL 54 CO 0.00 -0.27 1.08 -2.16 -0.31 0.00 0.00 175.10 173.44 3niv s PRO 55 N -1.67 4.55 -0.02 4.82 0.04 -1.26 -4.80 135.00 136.65 3niv s PRO 55 Ca -0.05 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.77 3niv s PRO 55 Cb -0.10 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 3niv s PRO 55 CO 0.02 0.15 -0.14 -1.12 0.04 0.00 0.00 177.00 175.95 3niv s SER 56 N -1.03 1.71 -0.24 6.66 0.01 -1.00 -3.93 113.70 115.88 3niv s SER 56 Ca 0.47 -0.27 -0.09 0.00 1.31 0.00 0.00 55.95 57.37 3niv s SER 56 Cb -0.30 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 3niv s SER 56 CO 0.38 0.15 0.11 -0.22 0.41 0.00 0.00 173.24 174.07 3niv s LEU 57 N -0.14 3.80 -0.26 2.44 2.96 -0.13 0.47 118.68 127.81 3niv s LEU 57 Ca 0.01 -0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 53.74 3niv s LEU 57 Cb -0.08 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3niv s LEU 57 CO 0.00 0.04 0.42 -0.62 -1.32 0.00 0.00 176.35 174.87 3niv s ASP 58 N 1.19 6.32 -0.32 3.68 -1.08 0.47 -1.28 116.67 125.64 3niv s ASP 58 Ca 0.06 0.38 0.03 0.00 -0.52 0.00 0.00 52.55 52.49 3niv s ASP 58 Cb -0.14 -2.23 0.09 0.00 -1.46 0.00 0.00 42.92 39.18 3niv s ASP 58 CO 0.05 -0.21 0.04 -0.63 0.52 0.00 0.00 175.17 174.93 3niv s ILE 59 N 2.11 2.03 -1.51 4.11 1.09 -0.60 -2.36 121.20 126.08 3niv s ILE 59 Ca 0.17 -2.09 -0.03 0.00 -1.10 0.00 0.00 60.65 57.60 3niv s ILE 59 Cb -0.16 -2.46 0.03 0.00 -1.06 0.00 0.00 42.46 38.81 3niv s ILE 59 CO 0.10 -0.53 0.32 0.59 -0.10 0.00 0.00 174.94 175.32 3niv n ASN 60 N 4.37 -0.26 -0.24 3.58 3.02 -1.26 -0.03 115.26 124.45 3niv n ASN 60 Ca 0.01 -1.11 -0.03 0.00 -0.03 0.00 0.00 54.58 53.42 3niv n ASN 60 Cb 0.42 -2.47 -0.01 0.00 -0.61 0.00 0.00 39.78 37.11 3niv n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3niv n GLY 61 N -2.09 0.54 3.41 7.41 0.00 -1.26 -4.99 105.19 108.22 3niv n GLY 61 Ca -0.26 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.53 3.37 -0.12 1.61 -0.21 0.96 -5.09 119.66 118.65 3niv s GLN 62 Ca 0.00 -0.68 -0.20 0.00 0.02 0.00 0.00 55.36 54.50 3niv s GLN 62 Cb 0.00 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.55 3niv s GLN 62 CO 0.00 -0.35 0.57 0.42 -2.12 0.00 0.00 175.29 173.81 3niv s ILE 63 N 1.58 5.11 -0.13 1.08 -1.09 -1.26 -1.55 121.20 124.94 3niv s ILE 63 Ca 0.05 1.14 0.02 0.00 -2.23 0.00 0.00 60.65 59.62 3niv s ILE 63 Cb -0.16 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 3niv s ILE 63 CO 0.04 0.26 -0.20 -0.22 -1.23 0.00 0.00 174.94 173.59 3niv s LEU 64 N 0.96 2.22 0.49 2.97 2.96 -0.41 -4.99 118.68 122.87 3niv s LEU 64 Ca 0.30 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3niv s LEU 64 Cb -0.16 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3niv s LEU 64 CO 0.13 0.10 0.12 -0.94 -1.32 0.00 0.00 176.35 174.44 3niv s SER 65 N 0.68 4.25 0.00 3.68 1.04 -1.26 -0.96 113.70 121.12 3niv s SER 65 Ca -0.10 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 54.90 3niv s SER 65 Cb -0.16 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.15 3niv s SER 65 CO 0.01 -0.79 0.00 1.67 0.98 0.00 0.00 173.24 175.11 3niv n GLN 66 N -1.32 0.00 0.00 4.02 -0.06 -1.25 -4.39 117.38 114.38 3niv n GLN 66 Ca -0.10 0.30 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 3niv n GLN 66 Cb 0.66 -0.34 0.00 0.00 -4.06 0.00 0.00 30.24 26.50 3niv n GLN 66 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3niv n SER 67 N 0.00 0.00 0.00 1.69 3.41 -1.26 -1.14 113.62 116.32 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 0.66 0.00 -0.18 7.33 0.00 -1.26 -1.90 120.51 125.16 3niv n ALA 69 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3niv n ALA 69 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 0.52 -0.66 0.00 2.04 -1.34 0.83 117.51 118.90 3niv h ILE 70 Ca 0.00 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 3niv h ILE 70 Cb 0.00 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3niv h ILE 70 CO 0.00 0.01 0.08 0.40 0.00 0.00 0.00 178.15 178.64 3niv h ILE 71 N 0.07 1.27 -0.59 -0.67 2.04 -1.63 -1.38 117.51 116.62 3niv h ILE 71 Ca 0.27 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3niv h ILE 71 Cb 0.43 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3niv h ILE 71 CO -0.50 0.40 0.32 0.44 0.00 0.00 0.00 178.15 178.82 3niv h ASP 72 N 1.03 0.74 -0.39 1.72 3.32 -1.70 -1.21 116.42 119.93 3niv h ASP 72 Ca 0.20 -0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.24 3niv h ASP 72 Cb 0.48 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.76 3niv h ASP 72 CO 0.02 0.62 -0.13 0.22 -1.72 0.00 0.00 179.24 178.24 3niv h TYR 73 N 0.80 -0.31 -0.81 4.55 3.20 -0.42 -0.64 116.97 123.33 3niv h TYR 73 Ca 0.21 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.17 3niv h TYR 73 Cb 0.04 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 3niv h TYR 73 CO -0.01 -0.21 0.53 -0.07 -1.64 0.00 0.00 178.16 176.76 3niv h LEU 74 N -0.05 0.80 -1.28 2.82 3.38 -0.72 0.23 115.31 120.49 3niv h LEU 74 Ca 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3niv h LEU 74 Cb 0.34 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3niv h LEU 74 CO -0.43 0.52 -0.26 -0.33 0.09 0.00 0.00 178.44 178.03 3niv h GLU 75 N 0.92 0.00 0.11 1.13 4.39 0.04 -0.97 114.58 120.19 3niv h GLU 75 Ca 0.34 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.73 3niv h GLU 75 Cb 0.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3niv h GLU 75 CO -0.12 0.26 -1.63 1.49 -1.16 0.00 0.00 179.01 177.85 3niv h GLU 76 N 0.00 0.24 0.00 2.33 4.57 -0.29 -3.15 114.58 118.28 3niv h GLU 76 Ca -0.00 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3niv h GLU 76 Cb 0.68 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3niv h GLU 76 CO 0.03 1.19 0.00 0.97 -1.18 0.00 0.00 179.01 180.03 3niv h ILE 77 N -0.23 0.00 -1.68 2.32 2.10 -1.00 -3.38 117.51 115.65 3niv h ILE 77 Ca -0.36 -0.91 -0.40 0.00 1.08 0.00 0.00 64.86 64.27 3niv h ILE 77 Cb 1.83 1.91 -0.29 0.00 -1.09 0.00 0.00 36.82 39.19 3niv h ILE 77 CO 0.04 0.00 -0.78 1.57 -1.08 0.00 0.00 178.15 177.90 3niv n HIS 78 N -3.04 -2.10 0.37 2.19 -0.00 -0.37 -4.99 115.22 107.28 3niv n HIS 78 Ca 0.04 -2.52 0.13 0.00 0.46 0.00 0.00 57.72 55.83 3niv n HIS 78 Cb 0.50 0.74 0.54 0.00 -0.12 0.00 0.00 29.99 31.65 3niv n HIS 78 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3niv h PRO 79 N 5.14 0.00 -5.06 1.57 0.11 -1.74 -3.41 132.00 128.61 3niv h PRO 79 Ca 0.15 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3niv h PRO 79 Cb 0.99 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.11 3niv h PRO 79 CO 0.25 0.00 0.27 0.39 -0.21 0.00 0.00 178.00 178.69 3niv n GLU 80 N -2.45 0.07 -4.80 1.05 1.02 -1.26 -4.89 120.64 109.37 3niv n GLU 80 Ca 0.02 -1.35 -0.26 0.00 -0.02 0.00 0.00 57.16 55.56 3niv n GLU 80 Cb 0.25 -3.32 -0.16 0.00 -0.02 0.00 0.00 31.44 28.20 3niv n GLU 80 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3niv s PRO 82 N 7.78 1.72 0.00 3.49 0.04 -1.26 -4.88 135.00 141.89 3niv s PRO 82 Ca 0.66 -0.59 0.26 0.00 0.04 0.00 0.00 61.00 61.37 3niv s PRO 82 Cb -0.03 -1.50 0.68 0.00 0.04 0.00 0.00 34.50 33.68 3niv s PRO 82 CO 0.16 0.23 1.52 1.28 0.04 0.00 0.00 177.00 180.24 3niv n LEU 83 N 3.16 0.87 -4.14 -3.56 4.77 -1.26 -4.88 117.00 111.95 3niv n LEU 83 Ca -0.18 -0.18 -0.17 0.00 -0.03 0.00 0.00 56.01 55.45 3niv n LEU 83 Cb 0.53 -0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 3niv n LEU 83 CO 0.25 0.17 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.28 3niv s LEU 84 N -2.65 2.28 0.87 2.23 1.43 -1.26 -0.57 118.68 121.01 3niv s LEU 84 Ca 0.20 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 3niv s LEU 84 Cb 0.19 -0.41 0.12 0.00 0.03 0.00 0.00 46.19 46.12 3niv s LEU 84 CO 0.58 -0.12 1.13 -2.84 0.23 0.00 0.00 176.35 175.33 3niv s PRO 85 N -1.75 1.38 0.07 1.29 0.02 -1.26 -4.95 135.00 129.80 3niv s PRO 85 Ca -0.04 1.45 -0.16 0.00 0.02 0.00 0.00 61.00 62.28 3niv s PRO 85 Cb -0.10 -1.78 -0.15 0.00 0.02 0.00 0.00 34.50 32.50 3niv s PRO 85 CO 0.02 -2.35 1.30 0.87 -0.33 0.00 0.00 177.00 176.51 3niv h LYS 86 N -1.64 0.64 -6.38 5.54 1.57 -2.00 -3.40 116.57 110.90 3niv h LYS 86 Ca -0.43 -0.46 -0.61 0.00 -1.87 0.00 0.00 60.65 57.28 3niv h LYS 86 Cb 1.26 0.08 0.04 0.00 0.08 0.00 0.00 32.23 33.68 3niv h LYS 86 CO 0.44 1.08 0.94 -3.47 -0.57 0.00 0.00 179.45 177.87 3niv n ASP 87 N -4.18 3.21 -0.15 0.86 2.03 -1.26 -4.85 116.55 112.21 3niv n ASP 87 Ca -0.07 1.03 -0.05 0.00 0.52 0.00 0.00 54.79 56.22 3niv n ASP 87 Cb 0.59 -1.39 0.01 0.00 -0.72 0.00 0.00 41.12 39.62 3niv n ASP 87 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3niv h PRO 88 N 7.55 -0.14 -0.18 -0.67 0.11 -2.03 0.19 132.00 136.82 3niv h PRO 88 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3niv h PRO 88 Cb 1.27 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3niv h PRO 88 CO 0.92 -0.09 0.00 0.34 -0.21 0.00 0.00 178.00 178.95 3niv n PHE 89 N -5.41 0.00 0.00 0.65 7.35 -1.26 -1.34 117.46 117.45 3niv n PHE 89 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 3niv n PHE 89 Cb 0.33 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.14 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 0.16 0.00 -0.18 -4.13 4.81 0.67 -0.22 118.16 119.28 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 0.05 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.10 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 0.71 -0.26 3.14 0.00 -1.43 -1.21 119.26 120.21 3niv h ALA 92 Ca 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.59 3niv h ALA 92 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3niv h ALA 92 CO 0.00 0.63 0.06 1.15 0.00 0.00 0.00 179.25 181.09 3niv h THR 93 N 0.86 0.89 -0.59 0.00 2.02 -0.86 0.85 112.91 116.08 3niv h THR 93 Ca 0.13 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 3niv h THR 93 Cb 0.68 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3niv h THR 93 CO 0.05 0.03 0.17 -0.07 0.37 0.00 0.00 175.52 176.07 3niv h LEU 94 N 0.17 0.84 -0.81 2.58 4.07 -1.79 -2.62 115.31 117.74 3niv h LEU 94 Ca 0.12 -0.14 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 3niv h LEU 94 Cb 0.11 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 3niv h LEU 94 CO -0.15 0.80 -0.06 0.50 -1.08 0.00 0.00 178.44 178.45 3niv h LYS 95 N 0.87 0.83 -1.59 1.13 1.63 -0.54 -2.51 116.57 116.38 3niv h LYS 95 Ca 0.19 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3niv h LYS 95 Cb 0.27 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3niv h LYS 95 CO -0.01 0.87 0.00 -1.13 -3.45 0.00 0.00 179.45 175.73 3niv n SER 96 N -4.18 0.80 0.00 4.20 3.41 0.23 -1.50 113.62 116.58 3niv n SER 96 Ca 0.02 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 3niv n SER 96 Cb 0.34 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.81 0.00 0.10 7.33 0.00 -0.95 -1.82 120.51 125.99 3niv n ALA 98 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3niv n ALA 98 Cb 0.14 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.66 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 0.12 -0.74 0.00 3.38 -1.55 0.32 115.31 116.84 3niv h LEU 99 Ca 0.00 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.04 3niv h LEU 99 Cb 0.00 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.61 3niv h LEU 99 CO 0.00 0.81 0.25 0.40 0.09 0.00 0.00 178.44 179.99 3niv h ILE 100 N 0.06 0.60 0.25 1.22 2.04 -1.65 1.67 117.51 121.70 3niv h ILE 100 Ca -0.02 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3niv h ILE 100 Cb 1.29 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3niv h ILE 100 CO 0.10 0.07 -0.12 0.58 0.00 0.00 0.00 178.15 178.78 3niv h VAL 101 N 0.37 0.49 0.00 1.67 2.07 -1.78 -1.26 116.25 117.81 3niv h VAL 101 Ca 0.42 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 3niv h VAL 101 Cb 0.67 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3niv h VAL 101 CO -0.45 0.13 -0.24 0.00 0.02 0.00 0.00 177.57 177.03 3niv h ALA 102 N -0.65 1.11 0.00 1.67 0.00 -0.77 -0.23 119.26 120.39 3niv h ALA 102 Ca -0.03 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3niv h ALA 102 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3niv h ALA 102 CO 0.06 0.30 -1.58 0.00 0.00 0.00 0.00 179.25 178.03 3niv n ASP 104 N -2.66 3.50 0.00 0.00 8.00 -0.48 -4.41 116.55 120.51 3niv n ASP 104 Ca -0.17 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.23 3niv n ASP 104 Cb 0.71 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 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 1.20 0.00 0.28 1.24 -0.00 -0.10 -4.81 115.22 113.03 3niv n HIS 106 Ca 0.21 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 58.07 3niv n HIS 106 Cb 0.59 0.00 0.80 0.00 -0.00 0.00 0.00 29.99 31.37 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 0.00 -0.05 1.57 0.11 -1.77 -2.40 132.00 129.46 3niv h PRO 107 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 3niv h PRO 107 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3niv h PRO 107 CO 0.00 0.08 -0.58 -0.07 -0.21 0.00 0.00 178.00 177.22 3niv h LEU 108 N 0.00 0.17 -2.79 2.35 4.07 -1.87 -3.17 115.31 114.07 3niv h LEU 108 Ca -0.00 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3niv h LEU 108 Cb 0.22 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.91 3niv h LEU 108 CO 0.01 0.71 0.00 0.59 -1.08 0.00 0.00 178.44 178.67 3niv n ASN 109 N -3.88 3.71 -4.75 -0.43 3.02 -0.94 -4.70 115.26 107.30 3niv n ASN 109 Ca -0.02 -2.01 -0.37 0.00 -0.03 0.00 0.00 54.58 52.15 3niv n ASN 109 Cb 0.59 -0.43 0.04 0.00 -0.61 0.00 0.00 39.78 39.37 3niv n ASN 109 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3niv s ASN 110 N -1.00 5.24 0.30 6.41 2.47 -0.99 -4.77 114.94 122.60 3niv s ASN 110 Ca 0.43 2.61 0.06 0.00 0.42 0.00 0.00 52.86 56.37 3niv s ASN 110 Cb 0.22 -2.62 0.75 0.00 -1.45 0.00 0.00 41.25 38.15 3niv s ASN 110 CO 0.29 -1.58 1.77 0.25 -3.72 0.00 0.00 177.10 174.11 3niv h LEU 111 N 1.25 0.75 -1.28 3.21 5.85 -1.92 0.67 115.31 123.84 3niv h LEU 111 Ca -0.51 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 3niv h LEU 111 Cb 1.30 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3niv h LEU 111 CO 0.56 0.25 -0.33 0.08 -0.34 0.00 0.00 178.44 178.66 3niv h ARG 112 N 0.73 0.00 0.11 1.25 0.11 -1.96 -1.89 114.38 112.73 3niv h ARG 112 Ca 0.58 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.37 3niv h ARG 112 Cb 0.93 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.04 3niv h ARG 112 CO -0.40 0.33 -1.22 0.28 0.10 0.00 0.00 179.97 179.06 3niv h VAL 113 N 0.00 1.31 -0.18 0.08 2.07 -1.21 -2.26 116.25 116.06 3niv h VAL 113 Ca -0.00 -2.51 0.01 0.00 0.82 0.00 0.00 66.70 65.02 3niv h VAL 113 Cb 0.68 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 3niv h VAL 113 CO 0.04 0.76 0.09 -0.07 0.02 0.00 0.00 177.57 178.41 3niv h LEU 114 N 0.26 0.14 -1.33 2.57 3.38 -1.17 -1.41 115.31 117.75 3niv h LEU 114 Ca -0.18 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3niv h LEU 114 Cb 1.89 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.59 3niv h LEU 114 CO 0.23 0.11 0.33 0.78 0.09 0.00 0.00 178.44 179.98 3niv h ASN 115 N 0.20 0.69 -0.20 -0.43 2.35 -1.38 -1.56 115.58 115.25 3niv h ASN 115 Ca 0.07 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3niv h ASN 115 Cb 0.01 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3niv h ASN 115 CO -0.05 0.55 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.11 3niv h ARG 116 N 0.80 0.55 -0.42 0.81 9.65 -0.96 0.63 114.38 125.44 3niv h ARG 116 Ca 0.21 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 3niv h ARG 116 Cb -0.01 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 3niv h ARG 116 CO -0.04 0.63 0.24 -0.07 2.80 0.00 0.00 179.97 183.53 3niv h LEU 117 N 0.51 0.51 -0.61 3.80 3.38 -0.34 0.86 115.31 123.42 3niv h LEU 117 Ca 0.10 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3niv h LEU 117 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3niv h LEU 117 CO 0.02 0.44 0.04 0.11 0.09 0.00 0.00 178.44 179.15 3niv h LYS 118 N 0.54 1.05 0.01 1.13 1.57 -0.72 0.71 116.57 120.86 3niv h LYS 118 Ca 0.15 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 3niv h LYS 118 Cb 0.04 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.25 3niv h LYS 118 CO -0.03 1.01 -0.30 1.05 -0.57 0.00 0.00 179.45 180.61 3niv h GLU 119 N 0.95 0.19 0.06 3.15 4.11 -0.69 0.90 114.58 123.26 3niv h GLU 119 Ca 0.18 -0.22 -0.24 0.00 0.07 0.00 0.00 59.36 59.15 3niv h GLU 119 Cb 0.51 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3niv h GLU 119 CO 0.02 0.96 -1.11 0.37 0.07 0.00 0.00 179.01 179.32 3niv h GLN 120 N -0.48 0.12 0.00 1.06 4.15 -0.87 -3.37 115.11 115.72 3niv h GLN 120 Ca -0.04 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.18 3niv h GLN 120 Cb 1.07 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.83 3niv h GLN 120 CO 0.06 1.09 0.00 1.19 -1.93 0.00 0.00 178.83 179.24 3niv n PHE 121 N -3.43 0.00 -3.66 3.99 3.72 0.21 -5.01 117.46 113.28 3niv n PHE 121 Ca -0.04 -0.07 -0.23 0.00 -0.05 0.00 0.00 57.45 57.06 3niv n PHE 121 Cb 0.98 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 39.56 3niv n PHE 121 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3niv n ASN 122 N -0.07 -3.16 -4.76 4.37 3.02 0.31 -4.91 115.26 110.05 3niv n ASN 122 Ca 0.00 -0.71 -0.38 0.00 -0.03 0.00 0.00 54.58 53.46 3niv n ASN 122 Cb 0.08 -4.46 0.01 0.00 -0.61 0.00 0.00 39.78 34.80 3niv n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3niv s ALA 123 N -3.45 2.90 0.50 5.41 0.00 -1.19 -4.96 121.76 120.98 3niv s ALA 123 Ca 0.26 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.43 3niv s ALA 123 Cb -0.12 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.58 3niv s ALA 123 CO 0.78 -1.00 0.68 0.54 0.00 0.00 0.00 175.76 176.76 3niv s ASN 124 N -1.16 5.34 0.41 0.00 2.20 -1.26 -4.71 114.94 115.77 3niv s ASN 124 Ca 0.67 -0.66 0.19 0.00 -0.94 0.00 0.00 52.86 52.12 3niv s ASN 124 Cb -0.34 -0.15 1.11 0.00 -2.00 0.00 0.00 41.25 39.87 3niv s ASN 124 CO 0.41 -1.06 1.82 -0.33 -2.94 0.00 0.00 177.10 175.00 3niv h GLU 125 N 0.41 0.38 0.17 3.55 5.08 -1.99 -0.45 114.58 121.73 3niv h GLU 125 Ca -0.35 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 57.69 3niv h GLU 125 Cb 1.28 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 30.48 3niv h GLU 125 CO 0.43 0.25 -1.28 1.49 -1.00 0.00 0.00 179.01 178.90 3niv h GLU 126 N 0.39 0.57 -0.35 2.33 4.81 -1.98 -2.04 114.58 118.31 3niv h GLU 126 Ca 0.53 -0.84 -0.15 0.00 -0.13 0.00 0.00 59.36 58.76 3niv h GLU 126 Cb 1.35 0.29 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 3niv h GLU 126 CO -0.22 1.39 -0.38 1.96 -0.73 0.00 0.00 179.01 181.03 3niv h GLN 127 N 0.17 0.87 -0.86 1.92 4.20 -1.71 -0.98 115.11 118.73 3niv h GLN 127 Ca -0.21 -0.47 0.05 0.00 0.06 0.00 0.00 58.65 58.08 3niv h GLN 127 Cb 1.97 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 29.72 3niv h GLN 127 CO 0.24 1.12 0.54 0.28 -0.67 0.00 0.00 178.83 180.34 3niv h VAL 128 N 0.67 1.09 -0.24 -0.54 2.07 -1.17 -0.38 116.25 117.75 3niv h VAL 128 Ca 0.05 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 3niv h VAL 128 Cb 0.97 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3niv h VAL 128 CO 0.09 0.19 -0.24 0.25 0.02 0.00 0.00 177.57 177.88 3niv h LEU 129 N 1.03 0.45 -0.29 2.57 5.85 -1.13 -1.24 115.31 122.54 3niv h LEU 129 Ca 0.36 -0.15 -0.19 0.00 0.84 0.00 0.00 57.88 58.74 3niv h LEU 129 Cb 0.09 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3niv h LEU 129 CO -0.14 0.70 -0.58 -0.33 -0.34 0.00 0.00 178.44 177.74 3niv h GLU 130 N 0.40 0.86 0.54 1.25 5.08 -0.30 -2.11 114.58 120.31 3niv h GLU 130 Ca 0.06 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 3niv h GLU 130 Cb 0.65 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3niv h GLU 130 CO 0.05 1.20 -0.50 2.35 -1.00 0.00 0.00 179.01 181.10 3niv h TRP 131 N 0.65 -1.39 -0.73 4.33 2.91 -0.88 0.97 115.95 121.81 3niv h TRP 131 Ca 0.01 0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.19 3niv h TRP 131 Cb 1.19 0.53 -0.10 0.00 -0.51 0.00 0.00 29.16 30.27 3niv h TRP 131 CO 0.07 -0.68 0.20 -0.92 -1.03 0.00 0.00 178.44 176.08 3niv h TYR 132 N -1.04 0.31 0.00 2.65 5.03 -1.24 -0.55 116.97 122.14 3niv h TYR 132 Ca -0.07 0.04 -0.14 0.00 2.58 0.00 0.00 58.73 61.14 3niv h TYR 132 Cb 0.89 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 39.12 3niv h TYR 132 CO -0.23 -0.05 -0.67 0.45 -1.32 0.00 0.00 178.16 176.33 3niv h HIS 133 N 0.30 0.00 0.07 -3.82 3.86 -1.21 -1.92 115.15 112.43 3niv h HIS 133 Ca 0.41 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.61 3niv h HIS 133 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 3niv h HIS 133 CO -0.24 0.67 -0.03 1.25 0.86 0.00 0.00 177.93 180.43 3niv h HIS 134 N 0.00 -0.09 -0.43 2.45 -0.00 0.81 -1.50 115.15 116.40 3niv h HIS 134 Ca -0.01 -0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.23 3niv h HIS 134 Cb 1.19 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.61 3niv h HIS 134 CO 0.00 0.04 -0.24 -1.49 -0.00 0.00 0.00 177.93 176.24 3niv h TRP 135 N -0.20 1.02 -0.25 5.26 -0.00 -1.36 -1.47 115.95 118.95 3niv h TRP 135 Ca -0.01 -0.25 0.06 0.00 -0.00 0.00 0.00 58.89 58.69 3niv h TRP 135 Cb 0.17 -0.24 -0.07 0.00 -0.00 0.00 0.00 29.16 29.01 3niv h TRP 135 CO -0.04 1.03 -0.29 -0.07 -0.00 0.00 0.00 178.44 179.07 3niv h LEU 136 N 0.77 -0.93 0.17 -4.49 3.38 -1.32 -0.58 115.31 112.31 3niv h LEU 136 Ca 0.10 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3niv h LEU 136 Cb 0.79 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3niv h LEU 136 CO 0.07 -0.32 -0.08 0.50 0.09 0.00 0.00 178.44 178.70 3niv h LYS 137 N -0.30 -0.22 -0.83 1.13 3.64 -0.88 -1.04 116.57 118.08 3niv h LYS 137 Ca 0.13 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.67 3niv h LYS 137 Cb 0.51 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.28 3niv h LYS 137 CO -0.42 -0.07 0.41 1.15 -2.27 0.00 0.00 179.45 178.25 3niv h THR 138 N -0.31 0.72 0.38 1.00 2.02 -1.20 0.75 112.91 116.27 3niv h THR 138 Ca -0.02 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3niv h THR 138 Cb 0.24 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3niv h THR 138 CO 0.04 0.11 -0.18 1.23 0.37 0.00 0.00 175.52 177.08 3niv h GLY 139 N 0.59 -0.53 1.60 2.16 0.00 -0.74 -2.84 103.07 103.31 3niv h GLY 139 Ca 0.45 0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.93 3niv h GLY 139 CO -0.37 -0.19 0.01 0.74 0.00 0.00 0.00 176.54 176.73 3niv h PHE 140 N -0.84 0.52 0.14 5.60 0.04 -1.03 -0.21 116.94 121.15 3niv h PHE 140 Ca -0.05 -0.05 0.02 0.00 2.80 0.00 0.00 57.97 60.69 3niv h PHE 140 Cb 0.54 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.49 3niv h PHE 140 CO 0.02 0.51 -0.45 -0.44 -0.60 0.00 0.00 178.31 177.35 3niv h ASP 141 N 0.49 -1.32 0.31 2.17 3.32 -0.86 0.50 116.42 121.02 3niv h ASP 141 Ca 0.11 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3niv h ASP 141 Cb 0.31 0.49 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 3niv h ASP 141 CO 0.01 -0.51 -0.21 0.00 -1.72 0.00 0.00 179.24 176.80 3niv h ALA 142 N -0.28 -0.50 -0.50 3.45 0.00 -1.20 -2.06 119.26 118.16 3niv h ALA 142 Ca 0.01 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3niv h ALA 142 Cb 0.71 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 3niv h ALA 142 CO -0.25 -0.80 0.11 0.35 0.00 0.00 0.00 179.25 178.66 3niv h PHE 143 N -0.52 0.18 -0.71 0.00 3.04 -0.89 -1.54 116.94 116.51 3niv h PHE 143 Ca -0.03 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 3niv h PHE 143 Cb 0.44 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 3niv h PHE 143 CO -0.11 0.01 0.26 1.49 -2.02 0.00 0.00 178.31 177.94 3niv h GLU 144 N 0.25 1.07 -0.37 1.11 4.57 0.12 -1.68 114.58 119.65 3niv h GLU 144 Ca 0.25 -0.21 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 3niv h GLU 144 Cb 0.33 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 3niv h GLU 144 CO -0.32 0.90 0.15 1.49 -1.18 0.00 0.00 179.01 180.05 3niv h GLU 145 N 1.02 0.31 -0.11 1.92 4.57 -0.85 -2.37 114.58 119.07 3niv h GLU 145 Ca 0.23 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.30 3niv h GLU 145 Cb 0.24 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3niv h GLU 145 CO -0.02 0.21 -0.37 0.87 -1.18 0.00 0.00 179.01 178.52 3niv h LYS 146 N 0.32 0.22 -0.73 1.92 1.57 -1.02 -2.66 116.57 116.20 3niv h LYS 146 Ca 0.16 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3niv h LYS 146 Cb 0.11 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 3niv h LYS 146 CO -0.14 0.57 0.40 -0.07 -0.57 0.00 0.00 179.45 179.64 3niv h LEU 147 N 0.19 0.59 0.00 2.94 4.07 -0.81 -2.28 115.31 120.00 3niv h LEU 147 Ca 0.02 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3niv h LEU 147 Cb 0.75 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.42 3niv h LEU 147 CO 0.06 0.36 0.00 0.61 -1.08 0.00 0.00 178.44 178.39 3niv n GLY 148 N -1.30 -1.02 1.59 0.83 0.00 -1.00 -1.25 105.19 103.03 3niv n GLY 148 Ca 0.10 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3niv n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3niv n ALA 149 N -1.46 3.28 -2.47 4.61 0.00 -0.86 -4.95 120.51 118.65 3niv n ALA 149 Ca 0.05 -1.74 -0.23 0.00 0.00 0.00 0.00 53.44 51.52 3niv n ALA 149 Cb 0.18 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.16 2.57 0.08 0.00 1.43 -0.38 -5.10 118.68 115.11 3niv s LEU 150 Ca 0.51 -1.20 0.08 0.00 -1.03 0.00 0.00 54.13 52.48 3niv s LEU 150 Cb 0.35 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 3niv s LEU 150 CO 0.21 -0.30 -0.17 -1.61 0.23 0.00 0.00 176.35 174.71 3niv s GLU 151 N -3.69 1.97 -0.13 1.70 2.02 -1.26 -5.03 118.70 114.27 3niv s GLU 151 Ca 0.31 -1.06 -0.21 0.00 0.02 0.00 0.00 54.97 54.03 3niv s GLU 151 Cb 0.03 -2.18 0.05 0.00 0.10 0.00 0.00 34.13 32.14 3niv s GLU 151 CO 0.14 0.51 0.53 -0.98 0.02 0.00 0.00 175.26 175.48 3niv s ARG 152 N -1.80 0.74 0.32 1.61 1.70 -1.26 -0.94 118.95 119.32 3niv s ARG 152 Ca 0.17 0.46 0.23 0.00 -0.47 0.00 0.00 55.73 56.12 3niv s ARG 152 Cb -0.11 0.35 0.21 0.00 -0.57 0.00 0.00 34.95 34.83 3niv s ARG 152 CO 0.08 -0.16 1.35 -0.44 -1.08 0.00 0.00 175.30 175.06 3niv h ASP 153 N 4.48 0.00 -5.04 -2.89 5.19 -1.07 -3.47 116.42 113.63 3niv h ASP 153 Ca -0.28 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 3niv h ASP 153 Cb 1.17 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.58 3niv h ASP 153 CO 0.26 0.00 0.14 -0.54 -3.12 0.00 0.00 179.24 175.98 3niv s LYS 154 N -3.27 1.46 -0.79 3.56 1.02 -1.25 -5.03 119.74 115.44 3niv s LYS 154 Ca 0.04 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 54.99 3niv s LYS 154 Cb 0.08 0.57 -0.24 0.00 -0.52 0.00 0.00 37.83 37.71 3niv s LYS 154 CO 0.72 -0.64 1.92 -0.35 -0.92 0.00 0.00 175.35 176.09 3niv n PRO 155 N -0.38 0.51 -4.28 -1.68 -0.04 -1.26 -4.75 135.00 123.12 3niv n PRO 155 Ca -0.11 -1.69 -0.15 0.00 -0.04 0.00 0.00 63.50 61.52 3niv n PRO 155 Cb 0.62 -3.42 -0.10 0.00 -0.04 0.00 0.00 33.50 30.56 3niv n PRO 155 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3niv s VAL 156 N 12.21 0.82 0.19 0.52 -7.23 -1.26 -4.46 120.40 121.18 3niv s VAL 156 Ca 0.73 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.78 3niv s VAL 156 Cb 0.03 -2.23 0.09 0.00 0.56 0.00 0.00 36.38 34.84 3niv s VAL 156 CO 0.21 -0.40 1.82 0.00 -0.31 0.00 0.00 175.10 176.42 3niv s PHE 158 N -6.13 -0.22 0.00 0.00 5.36 -1.26 -4.77 117.98 110.95 3niv s PHE 158 Ca -0.13 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.40 3niv s PHE 158 Cb 0.14 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 3niv s PHE 158 CO 0.75 -0.14 0.00 0.41 -1.46 0.00 0.00 175.22 174.77 3niv n GLY 159 N 3.55 1.80 0.01 13.12 0.00 -0.12 -4.19 105.19 119.35 3niv n GLY 159 Ca -0.19 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.30 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 3.81 3.28 -4.46 1.61 7.64 -1.26 -0.37 113.62 123.87 3niv n SER 160 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 3niv n SER 160 Cb 0.00 1.14 -0.11 0.00 -1.01 0.00 0.00 64.21 64.23 3niv n SER 160 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3niv s GLU 161 N -2.41 1.66 0.44 1.43 0.41 -1.26 -4.83 118.70 114.14 3niv s GLU 161 Ca -0.03 -1.34 -0.24 0.00 -0.41 0.00 0.00 54.97 52.94 3niv s GLU 161 Cb 0.04 -1.99 -0.08 0.00 -1.78 0.00 0.00 34.13 30.32 3niv s GLU 161 CO 0.30 0.44 1.26 0.08 -0.49 0.00 0.00 175.26 176.86 3niv s VAL 162 N -1.39 2.70 0.20 2.63 1.01 -1.26 -4.74 120.40 119.56 3niv s VAL 162 Ca 0.19 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.78 3niv s VAL 162 Cb -0.09 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3niv s VAL 162 CO 0.10 0.04 0.22 0.61 0.00 0.00 0.00 175.10 176.07 3niv n GLY 163 N 0.61 3.05 0.49 4.51 0.00 -1.26 -4.83 105.19 107.76 3niv n GLY 163 Ca 0.06 -1.70 0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 0.22 -0.63 0.99 5.85 -1.20 0.97 115.31 121.51 3niv h LEU 164 Ca -0.15 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 3niv h LEU 164 Cb 0.72 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3niv h LEU 164 CO 0.21 -0.02 -0.22 0.00 -0.34 0.00 0.00 178.44 178.08 3niv h ALA 165 N 1.50 0.82 -0.48 1.25 0.00 -1.83 -2.48 119.26 118.04 3niv h ALA 165 Ca 0.67 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 3niv h ALA 165 Cb 2.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 3niv h ALA 165 CO -0.21 0.64 -0.18 -0.44 0.00 0.00 0.00 179.25 179.06 3niv h ASP 166 N 0.73 0.97 -0.68 0.00 5.19 -1.22 -1.40 116.42 120.01 3niv h ASP 166 Ca 0.10 -0.35 0.06 0.00 -0.62 0.00 0.00 57.03 56.21 3niv h ASP 166 Cb 0.75 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 39.95 3niv h ASP 166 CO 0.06 1.13 0.45 0.58 -3.12 0.00 0.00 179.24 178.34 3niv h VAL 167 N 0.84 1.04 0.20 -1.35 2.07 -1.27 -2.28 116.25 115.49 3niv h VAL 167 Ca 0.12 -0.25 -0.34 0.00 0.82 0.00 0.00 66.70 67.04 3niv h VAL 167 Cb 0.74 0.24 0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3niv h VAL 167 CO 0.06 0.13 -1.64 0.00 0.02 0.00 0.00 177.57 176.14 3niv h LEU 169 N 0.12 0.37 -0.10 0.00 5.85 -0.89 -3.10 115.31 117.56 3niv h LEU 169 Ca -0.30 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3niv h LEU 169 Cb 2.12 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 3niv h LEU 169 CO 0.21 0.27 0.06 0.40 -0.34 0.00 0.00 178.44 179.04 3niv h ILE 170 N 0.46 1.05 -0.35 4.05 5.03 -1.60 0.24 117.51 126.38 3niv h ILE 170 Ca 0.14 -0.12 -0.05 0.00 -0.12 0.00 0.00 64.86 64.71 3niv h ILE 170 Cb -0.01 0.95 -0.02 0.00 -3.03 0.00 0.00 36.82 34.71 3niv h ILE 170 CO -0.06 0.04 -0.00 -0.65 -0.68 0.00 0.00 178.15 176.80 3niv h PRO 171 N 0.10 0.54 -0.36 2.37 0.11 -1.76 -0.68 132.00 132.32 3niv h PRO 171 Ca 0.03 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 3niv h PRO 171 Cb 0.02 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 3niv h PRO 171 CO -0.01 0.57 0.13 0.37 -0.21 0.00 0.00 178.00 178.86 3niv h GLN 172 N 0.52 0.55 -0.32 1.05 5.75 -1.35 -1.80 115.11 119.52 3niv h GLN 172 Ca 0.11 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 3niv h GLN 172 Cb 0.34 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 3niv h GLN 172 CO 0.01 0.55 -0.08 0.28 -2.65 0.00 0.00 178.83 176.94 3niv h VAL 173 N 0.44 1.22 -0.76 2.39 2.07 -0.51 -1.14 116.25 119.96 3niv h VAL 173 Ca 0.12 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.74 3niv h VAL 173 Cb 0.21 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3niv h VAL 173 CO -0.01 0.31 0.48 0.22 0.02 0.00 0.00 177.57 178.60 3niv h TYR 174 N 0.49 0.90 -0.41 1.57 5.03 -0.95 -2.06 116.97 121.53 3niv h TYR 174 Ca 0.10 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.33 3niv h TYR 174 Cb 0.44 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 3niv h TYR 174 CO 0.02 0.51 -0.15 -0.91 -1.32 0.00 0.00 178.16 176.30 3niv h ASN 175 N 0.93 0.76 -0.67 -2.11 2.35 -0.40 -1.61 115.58 114.83 3niv h ASN 175 Ca 0.31 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3niv h ASN 175 Cb 0.04 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 3niv h ASN 175 CO -0.12 0.92 0.43 0.00 -1.65 0.00 0.00 177.43 177.01 3niv h ALA 176 N 1.15 0.86 -0.11 -0.83 0.00 -0.79 -2.38 119.26 117.16 3niv h ALA 176 Ca 0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3niv h ALA 176 Cb 0.63 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3niv h ALA 176 CO 0.04 0.22 -0.48 0.45 0.00 0.00 0.00 179.25 179.49 3niv h HIS 177 N 0.86 0.69 -0.96 0.00 3.86 -1.16 -0.00 115.15 118.43 3niv h HIS 177 Ca 0.26 -0.30 0.19 0.00 -1.16 0.00 0.00 60.37 59.36 3niv h HIS 177 Cb -0.04 -0.11 -0.11 0.00 1.06 0.00 0.00 27.41 28.22 3niv h HIS 177 CO -0.04 1.07 0.54 -0.09 0.86 0.00 0.00 177.93 180.28 3niv h ARG 178 N 0.11 0.65 -0.72 2.45 2.43 -1.22 0.11 114.38 118.17 3niv h ARG 178 Ca -0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3niv h ARG 178 Cb 1.12 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3niv h ARG 178 CO 0.10 0.43 0.02 1.19 -1.51 0.00 0.00 179.97 180.20 3niv n PHE 179 N -4.84 1.48 -3.15 2.20 3.01 -0.91 -4.93 117.46 110.32 3niv n PHE 179 Ca 0.22 -0.54 -0.23 0.00 1.01 0.00 0.00 57.45 57.91 3niv n PHE 179 Cb 0.57 -0.40 0.05 0.00 -0.01 0.00 0.00 39.48 39.68 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 0.38 -2.18 -3.01 1.38 8.25 0.36 -4.97 115.22 115.44 3niv n HIS 180 Ca 0.20 0.64 -0.39 0.00 -0.26 0.00 0.00 57.72 57.90 3niv n HIS 180 Cb 0.93 -4.63 -0.06 0.00 1.12 0.00 0.00 29.99 27.35 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 -3.21 3.83 0.72 4.41 5.36 -0.05 -5.03 117.98 124.01 3niv s PHE 181 Ca 0.37 1.53 -0.09 0.00 -0.96 0.00 0.00 56.93 57.78 3niv s PHE 181 Cb -0.16 -2.76 0.16 0.00 -0.34 0.00 0.00 43.02 39.92 3niv s PHE 181 CO 0.46 0.43 0.99 -3.47 -1.46 0.00 0.00 175.22 172.16 3niv n ASP 182 N 2.09 0.43 0.00 6.13 2.03 -1.26 -4.61 116.55 121.36 3niv n ASP 182 Ca -0.05 -1.58 0.00 0.00 0.52 0.00 0.00 54.79 53.69 3niv n ASP 182 Cb 0.49 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 -3.43 0.00 0.67 -1.67 0.00 -1.26 -4.94 120.51 109.88 3niv n ALA 184 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.36 3niv n ALA 184 Cb 0.47 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.30 3niv n ALA 184 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3niv n SER 185 N 0.00 0.00 -3.13 0.00 7.64 -1.26 -4.43 113.62 112.44 3niv n SER 185 Ca 0.00 0.27 -0.25 0.00 1.01 0.00 0.00 58.87 59.90 3niv n SER 185 Cb 0.00 -0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 62.76 3niv n SER 185 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3niv n TYR 186 N -1.39 2.98 -0.10 1.43 4.01 -1.26 -4.92 117.16 117.91 3niv n TYR 186 Ca 0.06 -3.98 -0.06 0.00 -0.16 0.00 0.00 57.90 53.76 3niv n TYR 186 Cb 0.16 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 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 3.41 -0.00 0.04 -0.72 0.11 -1.99 0.47 132.00 133.31 3niv h PRO 187 Ca 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3niv h PRO 187 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3niv h PRO 187 CO 0.75 -0.00 -0.02 0.82 -0.21 0.00 0.00 178.00 179.34 3niv h ILE 188 N -0.00 1.09 -0.48 4.15 2.04 -1.95 0.13 117.51 122.49 3niv h ILE 188 Ca 0.17 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.71 3niv h ILE 188 Cb 0.26 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 3niv h ILE 188 CO -0.37 0.11 -0.03 0.40 0.00 0.00 0.00 178.15 178.26 3niv h ILE 189 N -0.23 0.60 -0.27 -0.67 2.04 -1.91 -1.79 117.51 115.28 3niv h ILE 189 Ca -0.01 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3niv h ILE 189 Cb 0.21 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3niv h ILE 189 CO 0.01 0.01 -0.06 0.78 0.00 0.00 0.00 178.15 178.89 3niv h ASN 190 N 0.08 -0.23 -0.54 1.72 2.35 -0.10 0.26 115.58 119.12 3niv h ASN 190 Ca 0.24 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 56.08 3niv h ASN 190 Cb 0.36 0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 3niv h ASN 190 CO -0.42 -0.08 0.34 -0.33 -1.65 0.00 0.00 177.43 175.29 3niv h GLU 191 N 0.01 0.67 -0.41 0.81 5.08 -0.52 -1.55 114.58 118.66 3niv h GLU 191 Ca 0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3niv h GLU 191 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3niv h GLU 191 CO -0.27 0.44 0.21 0.82 -1.00 0.00 0.00 179.01 179.22 3niv h ILE 192 N 0.69 1.17 0.38 3.13 2.04 -0.83 -0.56 117.51 123.53 3niv h ILE 192 Ca 0.21 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3niv h ILE 192 Cb -0.04 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3niv h ILE 192 CO -0.07 0.18 -0.22 -1.13 0.00 0.00 0.00 178.15 176.91 3niv h ASN 193 N 0.53 -0.54 -0.37 1.72 -1.24 -0.22 -0.40 115.58 115.06 3niv h ASN 193 Ca 0.14 0.03 0.08 0.00 0.71 0.00 0.00 56.30 57.26 3niv h ASN 193 Cb 0.09 0.15 -0.08 0.00 0.73 0.00 0.00 38.32 39.21 3niv h ASN 193 CO -0.02 -0.35 -0.22 -0.08 -1.29 0.00 0.00 177.43 175.47 3niv h GLU 194 N -0.56 -0.16 -0.12 6.67 4.81 -1.21 -1.78 114.58 122.23 3niv h GLU 194 Ca -0.04 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3niv h GLU 194 Cb 0.46 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3niv h GLU 194 CO 0.05 -0.10 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.28 3niv h TYR 195 N -0.16 -0.07 -0.98 0.92 3.20 -0.76 -2.58 116.97 116.54 3niv h TYR 195 Ca 0.18 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3niv h TYR 195 Cb 0.45 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 3niv h TYR 195 CO -0.44 -0.06 0.65 0.00 -1.64 0.00 0.00 178.16 176.67 3niv h LEU 197 N 1.32 0.00 0.00 0.00 3.38 -0.92 0.44 115.31 119.53 3niv h LEU 197 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3niv h LEU 197 Cb -0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3niv h LEU 197 CO -0.08 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.80 3niv n THR 198 N -3.15 0.08 -3.47 0.22 -2.24 -0.77 -4.32 114.28 100.63 3niv n THR 198 Ca -0.02 0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 3niv n THR 198 Cb 0.12 -0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.48 4.34 0.35 3.22 1.43 0.15 -4.97 118.68 120.73 3niv s LEU 199 Ca 0.29 0.76 0.10 0.00 -1.03 0.00 0.00 54.13 54.25 3niv s LEU 199 Cb 0.19 -2.53 0.86 0.00 0.03 0.00 0.00 46.19 44.73 3niv s LEU 199 CO 0.41 0.16 1.82 -0.65 0.23 0.00 0.00 176.35 178.32 3niv h PRO 200 N 5.92 0.63 -0.22 1.29 0.11 -1.87 0.37 132.00 138.23 3niv h PRO 200 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3niv h PRO 200 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3niv h PRO 200 CO 0.70 0.42 0.09 0.00 -0.21 0.00 0.00 178.00 179.00 3niv h ALA 201 N 1.62 0.28 0.17 -0.75 0.00 -1.91 0.41 119.26 119.07 3niv h ALA 201 Ca 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3niv h ALA 201 Cb 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3niv h ALA 201 CO -0.28 -0.13 -0.08 0.74 0.00 0.00 0.00 179.25 179.50 3niv h PHE 202 N 0.20 -0.21 -0.26 0.00 -1.00 -1.64 -2.97 116.94 111.05 3niv h PHE 202 Ca 0.07 -0.01 0.06 0.00 2.81 0.00 0.00 57.97 60.90 3niv h PHE 202 Cb 0.17 0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.74 3niv h PHE 202 CO -0.01 0.18 -0.11 1.25 -1.61 0.00 0.00 178.31 178.00 3niv h HIS 203 N -0.68 -0.26 0.00 -0.55 2.76 -0.19 0.14 115.15 116.38 3niv h HIS 203 Ca -0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3niv h HIS 203 Cb 0.49 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.60 3niv h HIS 203 CO 0.06 -0.17 0.00 -0.44 -1.30 0.00 0.00 177.93 176.08 3niv h ASP 204 N -0.07 0.00 0.53 3.26 3.32 -0.27 -2.20 116.42 121.00 3niv h ASP 204 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3niv h ASP 204 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3niv h ASP 204 CO -0.31 0.00 -1.14 0.00 -1.72 0.00 0.00 179.24 176.07 3niv n ALA 205 N -2.00 3.08 -1.66 3.45 0.00 0.38 -4.93 120.51 118.83 3niv n ALA 205 Ca -0.01 -0.37 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 3niv n ALA 205 Cb 0.15 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.97 0.56 -0.20 0.00 0.00 -0.46 -4.84 120.51 113.60 3niv n ALA 206 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 3niv n ALA 206 Cb 0.48 -2.19 0.07 0.00 0.00 0.00 0.00 19.45 17.82 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 0.65 0.56 -0.01 0.00 0.11 -1.89 -3.50 132.00 127.90 3niv h PRO 207 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3niv h PRO 207 Cb 1.35 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3niv h PRO 207 CO 0.52 0.37 0.00 0.39 -0.21 0.00 0.00 178.00 179.07