#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3niv s LEU 3 N 0.00 4.20 -0.19 1.39 2.96 0.83 -0.44 118.68 127.43 3niv s LEU 3 Ca 0.00 0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 54.19 3niv s LEU 3 Cb 0.00 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 3niv s LEU 3 CO 0.00 0.04 0.48 -0.31 -1.32 0.00 0.00 176.35 175.24 3niv s TYR 4 N 0.79 3.39 -0.03 5.38 1.51 -0.22 -0.43 117.35 127.75 3niv s TYR 4 Ca 0.16 0.75 0.03 0.00 -1.01 0.00 0.00 57.07 57.00 3niv s TYR 4 Cb -0.14 -2.61 0.00 0.00 -0.11 0.00 0.00 41.96 39.10 3niv s TYR 4 CO 0.05 -0.04 -0.10 0.34 -1.11 0.00 0.00 175.55 174.70 3niv s ASP 5 N 1.05 1.30 -0.16 2.29 2.15 0.54 -3.28 116.67 120.55 3niv s ASP 5 Ca 0.23 -0.20 -0.01 0.00 0.43 0.00 0.00 52.55 53.00 3niv s ASP 5 Cb -0.15 -0.37 -0.00 0.00 -0.30 0.00 0.00 42.92 42.10 3niv s ASP 5 CO 0.09 0.07 -0.13 -0.47 -0.17 0.00 0.00 175.17 174.56 3niv s TYR 6 N 0.22 2.83 0.11 -5.34 5.04 -1.26 -0.86 117.35 118.09 3niv s TYR 6 Ca -0.04 -0.96 0.26 0.00 -2.44 0.00 0.00 57.07 53.89 3niv s TYR 6 Cb -0.09 -1.93 0.98 0.00 0.35 0.00 0.00 41.96 41.27 3niv s TYR 6 CO 0.01 -0.45 1.85 0.27 -1.34 0.00 0.00 175.55 175.89 3niv h PHE 7 N 7.37 0.00 -0.12 4.97 -5.15 -1.93 -1.98 116.94 120.09 3niv h PHE 7 Ca -0.34 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.43 3niv h PHE 7 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 3niv h PHE 7 CO 0.52 0.18 0.00 0.54 -2.00 0.00 0.00 178.31 177.55 3niv n ARG 8 N -3.33 1.66 -3.13 6.09 1.74 -1.26 -4.54 116.66 113.89 3niv n ARG 8 Ca 0.00 -0.98 -0.40 0.00 -0.77 0.00 0.00 57.85 55.71 3niv n ARG 8 Cb 0.41 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 3niv n ARG 8 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3niv s SER 9 N -1.66 6.74 0.08 0.55 0.15 -0.75 -4.96 113.70 113.85 3niv s SER 9 Ca 0.33 0.90 -0.25 0.00 0.70 0.00 0.00 55.95 57.63 3niv s SER 9 Cb 0.18 -2.35 -0.16 0.00 -1.71 0.00 0.00 66.02 61.98 3niv s SER 9 CO 0.28 -0.21 1.69 0.74 1.20 0.00 0.00 173.24 176.93 3niv h THR 10 N 5.05 0.88 -0.74 6.45 2.02 -1.90 -1.47 112.91 123.20 3niv h THR 10 Ca -0.34 -0.06 0.16 0.00 0.77 0.00 0.00 66.41 66.95 3niv h THR 10 Cb 1.16 0.91 -0.12 0.00 -1.74 0.00 0.00 68.15 68.36 3niv h THR 10 CO 0.77 0.01 0.13 0.00 0.37 0.00 0.00 175.52 176.80 3niv h ALA 11 N 0.64 0.91 -0.04 6.16 0.00 -1.94 0.69 119.26 125.68 3niv h ALA 11 Ca -0.02 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3niv h ALA 11 Cb 0.17 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3niv h ALA 11 CO 0.03 -0.37 -0.28 0.00 0.00 0.00 0.00 179.25 178.63 3niv h TYR 13 N 0.07 0.29 -0.19 0.00 3.20 0.19 -0.79 116.97 119.74 3niv h TYR 13 Ca 0.01 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.89 3niv h TYR 13 Cb 0.54 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 3niv h TYR 13 CO 0.00 0.43 -0.30 0.00 -1.64 0.00 0.00 178.16 176.66 3niv h ARG 14 N 0.06 -0.33 -0.50 1.82 3.08 -0.97 -1.08 114.38 116.47 3niv h ARG 14 Ca 0.05 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.18 3niv h ARG 14 Cb 0.30 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 3niv h ARG 14 CO 0.00 -0.22 0.21 0.28 -1.07 0.00 0.00 179.97 179.17 3niv h VAL 15 N -0.34 0.88 -0.55 2.04 2.07 -1.35 -0.80 116.25 118.20 3niv h VAL 15 Ca 0.11 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.53 3niv h VAL 15 Cb 0.52 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3niv h VAL 15 CO -0.38 0.07 0.30 0.03 0.02 0.00 0.00 177.57 177.62 3niv h ARG 16 N 0.41 0.57 -0.04 1.57 3.08 -0.44 -0.74 114.38 118.79 3niv h ARG 16 Ca 0.23 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.26 3niv h ARG 16 Cb 0.21 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3niv h ARG 16 CO -0.21 0.38 -0.02 0.82 -1.07 0.00 0.00 179.97 179.87 3niv h ILE 17 N 0.59 0.93 -0.80 2.04 2.04 -0.83 -2.63 117.51 118.85 3niv h ILE 17 Ca 0.23 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.19 3niv h ILE 17 Cb 0.10 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 3niv h ILE 17 CO -0.14 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.45 3niv h ALA 18 N 1.02 1.14 -0.23 1.87 0.00 -0.62 0.19 119.26 122.63 3niv h ALA 18 Ca 0.02 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3niv h ALA 18 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3niv h ALA 18 CO -0.05 0.05 -0.18 -0.07 0.00 0.00 0.00 179.25 179.00 3niv h LEU 19 N 0.73 0.38 0.13 0.00 3.38 -0.99 -2.99 115.31 115.95 3niv h LEU 19 Ca 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3niv h LEU 19 Cb 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3niv h LEU 19 CO -0.26 0.58 -0.06 0.78 0.09 0.00 0.00 178.44 179.57 3niv h ASN 20 N 0.36 -0.15 -0.84 -0.43 -0.26 -0.91 -1.35 115.58 112.02 3niv h ASN 20 Ca 0.06 -0.38 0.20 0.00 -0.56 0.00 0.00 56.30 55.63 3niv h ASN 20 Cb 0.53 0.04 -0.15 0.00 -1.06 0.00 0.00 38.32 37.68 3niv h ASN 20 CO 0.03 0.46 0.02 -0.07 -1.06 0.00 0.00 177.43 176.81 3niv h LEU 21 N -0.91 -0.38 -2.64 1.61 3.38 -1.00 0.76 115.31 116.13 3niv h LEU 21 Ca -0.02 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3niv h LEU 21 Cb 0.51 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3niv h LEU 21 CO 0.03 -0.23 0.00 0.29 0.09 0.00 0.00 178.44 178.62 3niv n LYS 22 N -5.39 3.47 -4.22 1.13 5.02 -1.13 -4.92 118.16 112.12 3niv n LYS 22 Ca 0.17 -2.17 -0.34 0.00 -2.02 0.00 0.00 58.31 53.95 3niv n LYS 22 Cb 0.56 -1.92 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 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 0.56 -2.68 -2.93 1.97 5.02 0.26 -4.90 118.16 115.47 3niv n LYS 23 Ca 0.19 0.32 -0.41 0.00 -2.02 0.00 0.00 58.31 56.40 3niv n LYS 23 Cb 0.83 -4.79 -0.04 0.00 -0.02 0.00 0.00 35.03 31.01 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 -3.53 4.95 -0.13 -0.18 1.09 -0.52 -5.02 121.20 117.87 3niv s ILE 24 Ca 0.53 1.62 -0.29 0.00 -1.10 0.00 0.00 60.65 61.40 3niv s ILE 24 Cb -0.29 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 36.95 3niv s ILE 24 CO 0.94 0.14 1.51 0.00 -0.10 0.00 0.00 174.94 177.43 3niv s ALA 25 N 1.45 3.57 0.00 9.38 0.00 -1.26 -4.78 121.76 130.11 3niv s ALA 25 Ca 0.40 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3niv s ALA 25 Cb -0.18 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3niv s ALA 25 CO 0.17 -1.43 0.00 2.48 0.00 0.00 0.00 175.76 176.98 3niv n TYR 26 N 7.21 0.00 -3.60 0.00 0.18 -1.26 -4.98 117.16 114.71 3niv n TYR 26 Ca 0.16 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.86 3niv n TYR 26 Cb 0.44 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.31 3niv n TYR 26 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 3niv s GLU 27 N -0.19 0.34 0.19 -3.48 2.12 -1.26 -4.96 118.70 111.45 3niv s GLU 27 Ca 0.00 0.97 -0.12 0.00 0.36 0.00 0.00 54.97 56.18 3niv s GLU 27 Cb 0.00 0.23 -0.07 0.00 0.26 0.00 0.00 34.13 34.55 3niv s GLU 27 CO 0.00 -0.32 0.56 0.21 -0.54 0.00 0.00 175.26 175.17 3niv s LYS 28 N 2.62 3.91 -0.25 4.30 2.20 -1.26 -0.12 119.74 131.14 3niv s LYS 28 Ca 0.01 0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 56.00 3niv s LYS 28 Cb -0.13 -2.80 0.08 0.00 -1.51 0.00 0.00 37.83 33.48 3niv s LYS 28 CO -0.13 0.40 0.10 0.42 -0.36 0.00 0.00 175.35 175.78 3niv s ILE 29 N -1.62 0.17 -0.21 5.43 1.01 0.43 -4.90 121.20 121.51 3niv s ILE 29 Ca 0.42 -0.68 -0.26 0.00 0.00 0.00 0.00 60.65 60.13 3niv s ILE 29 Cb -0.13 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 3niv s ILE 29 CO 0.20 -0.52 0.87 -1.61 0.00 0.00 0.00 174.94 173.88 3niv s GLU 30 N 1.99 4.25 0.40 2.79 0.41 -1.26 -0.34 118.70 126.93 3niv s GLU 30 Ca 0.06 1.06 0.03 0.00 -0.41 0.00 0.00 54.97 55.71 3niv s GLU 30 Cb -0.16 -3.61 -0.01 0.00 -1.78 0.00 0.00 34.13 28.56 3niv s GLU 30 CO -0.23 -0.46 0.13 1.33 -0.49 0.00 0.00 175.26 175.53 3niv n VAL 31 N 5.05 0.00 0.00 2.63 0.24 -0.03 -4.94 118.33 121.27 3niv n VAL 31 Ca 0.06 -2.26 0.00 0.00 -2.04 0.00 0.00 64.34 60.11 3niv n VAL 31 Cb 0.48 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 3niv n VAL 31 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3niv n HIS 32 N -0.90 0.00 -3.49 6.34 -0.00 -1.26 -4.41 115.22 111.50 3niv n HIS 32 Ca -0.07 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.44 3niv n HIS 32 Cb 0.58 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.44 3niv n HIS 32 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3niv s LEU 33 N 0.00 0.05 -0.13 2.41 1.43 -1.26 -4.78 118.68 116.41 3niv s LEU 33 Ca 0.00 -0.66 -0.25 0.00 -1.03 0.00 0.00 54.13 52.20 3niv s LEU 33 Cb 0.00 0.18 -0.02 0.00 0.03 0.00 0.00 46.19 46.38 3niv s LEU 33 CO 0.00 -0.37 0.78 -0.76 0.23 0.00 0.00 176.35 176.23 3niv s LEU 53 N 2.26 4.23 -0.04 1.79 1.43 -1.26 -5.27 118.68 121.82 3niv s LEU 53 Ca 0.07 1.18 0.05 0.00 -1.03 0.00 0.00 54.13 54.40 3niv s LEU 53 Cb -0.15 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 3niv s LEU 53 CO -0.23 -0.29 -0.17 0.68 0.23 0.00 0.00 176.35 176.56 3niv s VAL 54 N 1.65 1.43 0.61 -1.59 -7.23 -1.26 -3.06 120.40 110.95 3niv s VAL 54 Ca 0.38 -0.73 -0.13 0.00 -1.81 0.00 0.00 61.98 59.69 3niv s VAL 54 Cb -0.17 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 3niv s VAL 54 CO 0.15 0.41 1.04 -2.16 -0.31 0.00 0.00 175.10 174.22 3niv s PRO 55 N -0.08 3.42 -0.07 4.82 0.04 -1.26 -4.85 135.00 137.02 3niv s PRO 55 Ca -0.01 0.98 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 3niv s PRO 55 Cb -0.10 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.40 3niv s PRO 55 CO 0.01 -0.71 0.26 -1.54 0.04 0.00 0.00 177.00 175.06 3niv s SER 56 N -3.44 -0.22 -0.15 6.66 1.04 -1.17 -3.90 113.70 112.51 3niv s SER 56 Ca 0.59 0.34 -0.03 0.00 0.48 0.00 0.00 55.95 57.33 3niv s SER 56 Cb -0.13 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 3niv s SER 56 CO 0.44 -0.20 -0.03 -0.22 0.98 0.00 0.00 173.24 174.20 3niv s LEU 57 N -0.37 3.27 -0.26 2.42 2.96 0.39 -1.05 118.68 126.04 3niv s LEU 57 Ca -0.05 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 3niv s LEU 57 Cb -0.03 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3niv s LEU 57 CO 0.01 0.19 0.13 -0.62 -1.32 0.00 0.00 176.35 174.74 3niv s ASP 58 N 0.24 5.60 -0.55 3.68 2.15 0.41 -0.65 116.67 127.54 3niv s ASP 58 Ca -0.02 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 52.87 3niv s ASP 58 Cb -0.14 -2.02 0.14 0.00 -0.30 0.00 0.00 42.92 40.60 3niv s ASP 58 CO 0.03 -0.03 0.33 -0.63 -0.17 0.00 0.00 175.17 174.70 3niv s ILE 59 N 1.60 3.18 -1.33 4.11 1.01 0.22 -2.98 121.20 127.00 3niv s ILE 59 Ca 0.07 -2.98 -0.09 0.00 0.00 0.00 0.00 60.65 57.64 3niv s ILE 59 Cb -0.15 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3niv s ILE 59 CO 0.07 -0.82 0.51 0.59 0.00 0.00 0.00 174.94 175.29 3niv n ASN 60 N 3.48 -1.90 0.00 3.58 3.02 -1.26 -1.12 115.26 121.06 3niv n ASN 60 Ca 0.06 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3niv n ASN 60 Cb 0.36 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.66 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 -1.97 3.00 3.65 7.41 0.00 -1.26 -5.01 105.19 111.00 3niv n GLY 61 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.19 4.20 -0.14 1.61 -0.21 -0.28 -5.04 119.66 119.61 3niv s GLN 62 Ca 0.00 0.88 -0.07 0.00 0.02 0.00 0.00 55.36 56.20 3niv s GLN 62 Cb 0.00 -3.62 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 3niv s GLN 62 CO 0.00 -0.44 0.10 -1.50 -2.12 0.00 0.00 175.29 171.33 3niv s ILE 63 N 2.56 5.13 -0.06 1.08 2.07 -1.26 0.69 121.20 131.41 3niv s ILE 63 Ca 0.34 0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.66 3niv s ILE 63 Cb -0.16 -3.25 0.02 0.00 0.13 0.00 0.00 42.46 39.20 3niv s ILE 63 CO 0.09 0.56 -0.06 -0.22 -1.91 0.00 0.00 174.94 173.40 3niv s LEU 64 N -0.53 1.31 0.53 8.50 2.96 0.18 -4.96 118.68 126.67 3niv s LEU 64 Ca 0.11 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 3niv s LEU 64 Cb -0.12 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 46.02 3niv s LEU 64 CO 0.02 -0.06 0.46 -0.44 -1.32 0.00 0.00 176.35 175.01 3niv s SER 65 N 1.07 4.76 -0.00 3.68 0.01 -1.26 -0.46 113.70 121.50 3niv s SER 65 Ca -0.08 -1.11 -0.00 0.00 1.31 0.00 0.00 55.95 56.07 3niv s SER 65 Cb -0.14 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.33 3niv s SER 65 CO -0.01 -1.07 0.01 0.00 0.41 0.00 0.00 173.24 172.58 3niv n GLN 66 N -1.80 -0.82 0.00 12.44 1.13 -1.25 -4.22 117.38 122.85 3niv n GLN 66 Ca 0.02 1.02 0.00 0.00 -1.94 0.00 0.00 57.00 56.10 3niv n GLN 66 Cb 0.63 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.71 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 0.29 0.00 0.00 1.08 3.41 -1.26 0.20 113.62 117.34 3niv n SER 67 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3niv n SER 67 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 0.54 0.00 -0.23 7.33 0.00 -1.26 -1.09 120.51 125.79 3niv n ALA 69 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3niv n ALA 69 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 1.02 -0.40 0.00 2.04 -0.42 -2.05 117.51 117.71 3niv h ILE 70 Ca 0.00 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 3niv h ILE 70 Cb 0.00 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 3niv h ILE 70 CO 0.00 0.14 -0.10 0.40 0.00 0.00 0.00 178.15 178.58 3niv h ILE 71 N 0.74 1.28 -0.41 -0.67 2.04 -1.35 -1.98 117.51 117.16 3niv h ILE 71 Ca 0.28 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 3niv h ILE 71 Cb 0.11 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3niv h ILE 71 CO -0.15 0.40 0.10 0.44 0.00 0.00 0.00 178.15 178.94 3niv h ASP 72 N 0.59 0.56 0.44 1.72 3.32 -1.78 0.71 116.42 121.97 3niv h ASP 72 Ca 0.10 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3niv h ASP 72 Cb 0.63 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3niv h ASP 72 CO 0.04 0.56 -0.21 0.22 -1.72 0.00 0.00 179.24 178.13 3niv h TYR 73 N 0.59 -0.54 -0.22 4.55 3.20 -1.10 -1.16 116.97 122.29 3niv h TYR 73 Ca 0.14 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.05 3niv h TYR 73 Cb 0.22 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 3niv h TYR 73 CO 0.01 -0.31 -0.22 -0.07 -1.64 0.00 0.00 178.16 175.93 3niv h LEU 74 N -0.64 -0.71 -1.76 2.82 3.38 -0.89 0.64 115.31 118.15 3niv h LEU 74 Ca -0.06 0.13 0.26 0.00 0.09 0.00 0.00 57.88 58.30 3niv h LEU 74 Cb 0.48 0.34 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 3niv h LEU 74 CO 0.10 -0.26 0.66 -0.08 0.09 0.00 0.00 178.44 178.95 3niv h GLU 75 N -0.24 0.17 0.12 1.13 4.57 -0.75 0.51 114.58 120.10 3niv h GLU 75 Ca 0.13 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 58.10 3niv h GLU 75 Cb 0.43 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3niv h GLU 75 CO -0.36 0.11 -0.97 1.49 -1.18 0.00 0.00 179.01 178.11 3niv h GLU 76 N 0.18 0.25 0.00 1.92 4.81 0.37 -3.14 114.58 118.97 3niv h GLU 76 Ca 0.48 -0.44 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3niv h GLU 76 Cb 1.60 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.13 3niv h GLU 76 CO -0.10 1.21 -0.45 -0.84 -0.73 0.00 0.00 179.01 178.09 3niv h ILE 77 N -0.41 0.61 -2.35 2.32 3.07 -0.75 -3.37 117.51 116.64 3niv h ILE 77 Ca -0.19 -1.88 -0.60 0.00 1.55 0.00 0.00 64.86 63.74 3niv h ILE 77 Cb 1.63 2.28 -0.41 0.00 -0.27 0.00 0.00 36.82 40.05 3niv h ILE 77 CO 0.10 0.35 -0.72 1.57 -1.05 0.00 0.00 178.15 178.40 3niv n HIS 78 N -3.16 2.39 0.26 0.16 -0.00 0.18 -4.94 115.22 110.10 3niv n HIS 78 Ca 0.02 -4.00 0.15 0.00 -0.00 0.00 0.00 57.72 53.88 3niv n HIS 78 Cb 0.69 -0.46 0.85 0.00 -0.00 0.00 0.00 29.99 31.06 3niv n HIS 78 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3niv h PRO 79 N 4.50 0.00 -5.42 1.57 0.11 -1.71 -3.41 132.00 127.64 3niv h PRO 79 Ca 0.17 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.14 3niv h PRO 79 Cb 0.74 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 3niv h PRO 79 CO 0.70 0.00 0.39 -1.21 -0.21 0.00 0.00 178.00 177.67 3niv s GLU 80 N -4.71 1.91 -0.02 1.05 8.01 -1.26 -4.87 118.70 118.81 3niv s GLU 80 Ca -0.05 -0.18 0.03 0.00 0.01 0.00 0.00 54.97 54.78 3niv s GLU 80 Cb 0.16 -4.98 -0.00 0.00 -4.31 0.00 0.00 34.13 25.00 3niv s GLU 80 CO 0.57 -4.32 -0.12 -1.25 0.01 0.00 0.00 175.26 170.15 3niv s PRO 82 N 7.90 1.15 0.00 0.39 0.04 -1.26 -4.86 135.00 138.36 3niv s PRO 82 Ca 0.80 -0.42 0.27 0.00 0.04 0.00 0.00 61.00 61.68 3niv s PRO 82 Cb -0.08 -1.07 0.74 0.00 0.04 0.00 0.00 34.50 34.13 3niv s PRO 82 CO 0.08 0.20 1.57 1.28 0.04 0.00 0.00 177.00 180.17 3niv n LEU 83 N 3.06 1.99 -3.92 -3.56 4.77 -1.26 -4.90 117.00 113.17 3niv n LEU 83 Ca -0.17 -0.66 -0.10 0.00 -0.03 0.00 0.00 56.01 55.05 3niv n LEU 83 Cb 0.54 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 3niv n LEU 83 CO 0.25 0.33 -0.30 -0.76 -1.33 0.00 0.00 177.39 175.58 3niv s LEU 84 N -2.03 1.97 1.11 2.23 1.43 -1.26 -0.95 118.68 121.17 3niv s LEU 84 Ca 0.34 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 3niv s LEU 84 Cb 0.21 0.24 0.25 0.00 0.03 0.00 0.00 46.19 46.92 3niv s LEU 84 CO 0.33 -0.23 1.06 -2.84 0.23 0.00 0.00 176.35 174.90 3niv s PRO 85 N -1.00 -0.47 -0.00 1.29 0.02 -1.26 -5.00 135.00 128.57 3niv s PRO 85 Ca -0.11 1.04 -0.16 0.00 0.02 0.00 0.00 61.00 61.79 3niv s PRO 85 Cb -0.07 -1.59 -0.34 0.00 0.02 0.00 0.00 34.50 32.53 3niv s PRO 85 CO -0.00 -3.48 0.90 0.87 -0.33 0.00 0.00 177.00 174.96 3niv h LYS 86 N -2.46 0.46 -6.05 5.54 1.57 -2.01 -3.42 116.57 110.21 3niv h LYS 86 Ca -0.57 -0.79 -0.69 0.00 -1.87 0.00 0.00 60.65 56.73 3niv h LYS 86 Cb 1.32 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 3niv h LYS 86 CO 0.48 1.38 1.27 -3.47 -0.57 0.00 0.00 179.45 178.53 3niv n ASP 87 N -3.79 2.16 -0.34 0.86 2.03 -1.26 -4.81 116.55 111.40 3niv n ASP 87 Ca -0.18 0.63 0.20 0.00 0.52 0.00 0.00 54.79 55.96 3niv n ASP 87 Cb 1.04 -1.21 0.43 0.00 -0.72 0.00 0.00 41.12 40.67 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 10.62 0.49 -0.75 -0.67 0.11 -2.04 0.11 132.00 139.88 3niv h PRO 88 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3niv h PRO 88 Cb 1.33 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3niv h PRO 88 CO 1.01 0.32 0.00 0.34 -0.21 0.00 0.00 178.00 179.46 3niv n PHE 89 N -4.80 0.00 0.00 0.65 7.35 -1.26 -2.18 117.46 117.23 3niv n PHE 89 Ca 0.27 -0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 3niv n PHE 89 Cb 0.81 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.55 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 0.28 0.00 0.12 -4.13 4.81 0.40 -0.80 118.16 118.84 3niv n LYS 91 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 3niv n LYS 91 Cb 0.18 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.46 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 1.10 -0.21 3.14 0.00 -1.67 -2.13 119.26 119.49 3niv h ALA 92 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 3niv h ALA 92 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3niv h ALA 92 CO 0.00 0.62 -0.29 1.15 0.00 0.00 0.00 179.25 180.73 3niv h THR 93 N 0.12 1.33 -0.57 0.00 2.02 -1.24 -1.45 112.91 113.12 3niv h THR 93 Ca 0.01 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.65 3niv h THR 93 Cb 0.88 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 3niv h THR 93 CO 0.07 0.46 0.16 -0.07 0.37 0.00 0.00 175.52 176.51 3niv h LEU 94 N 0.25 0.85 -0.45 2.58 3.38 -1.81 -3.01 115.31 117.10 3niv h LEU 94 Ca 0.02 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.85 3niv h LEU 94 Cb 0.86 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 3niv h LEU 94 CO 0.07 0.85 0.07 0.50 0.09 0.00 0.00 178.44 180.02 3niv h LYS 95 N 0.82 0.19 -1.85 1.13 1.63 -1.24 -1.71 116.57 115.53 3niv h LYS 95 Ca 0.18 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 3niv h LYS 95 Cb 0.31 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3niv h LYS 95 CO -0.00 0.13 0.00 -1.13 -3.45 0.00 0.00 179.45 175.00 3niv n SER 96 N -5.13 1.13 0.00 4.20 3.41 -0.56 -1.01 113.62 115.66 3niv n SER 96 Ca 0.04 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 3niv n SER 96 Cb 0.22 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.33 0.00 0.04 7.33 0.00 -0.64 -1.51 120.51 127.05 3niv n ALA 98 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3niv n ALA 98 Cb 0.14 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.64 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 0.51 -1.22 0.00 3.38 -1.35 -1.14 115.31 115.49 3niv h LEU 99 Ca 0.00 -0.30 0.20 0.00 0.09 0.00 0.00 57.88 57.87 3niv h LEU 99 Cb 0.00 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.51 3niv h LEU 99 CO 0.00 1.02 0.62 0.40 0.09 0.00 0.00 178.44 180.56 3niv h ILE 100 N 0.32 0.69 0.00 1.22 2.04 -1.54 1.28 117.51 121.51 3niv h ILE 100 Ca -0.01 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3niv h ILE 100 Cb 1.20 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3niv h ILE 100 CO 0.11 0.11 -0.17 0.58 0.00 0.00 0.00 178.15 178.78 3niv h VAL 101 N 0.61 1.63 0.00 1.67 2.07 -1.80 -2.31 116.25 118.12 3niv h VAL 101 Ca 0.54 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.77 3niv h VAL 101 Cb 1.04 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.96 3niv h VAL 101 CO -0.30 0.55 0.00 0.00 0.02 0.00 0.00 177.57 177.84 3niv n ALA 102 N -2.73 2.14 -0.01 1.67 0.00 -0.45 -0.61 120.51 120.52 3niv n ALA 102 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 3niv n ALA 102 Cb 0.49 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 3niv n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3niv n ASP 104 N -2.52 4.50 0.00 0.00 8.00 -0.87 -4.61 116.55 121.05 3niv n ASP 104 Ca -0.04 -2.34 0.00 0.00 0.71 0.00 0.00 54.79 53.12 3niv n ASP 104 Cb 0.55 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.33 1.24 -0.00 0.22 -4.74 115.22 112.80 3niv n HIS 106 Ca 0.25 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 58.08 3niv n HIS 106 Cb 0.81 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 31.09 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 0.66 0.00 1.57 0.11 -1.81 -0.42 132.00 132.11 3niv h PRO 107 Ca 0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3niv h PRO 107 Cb 0.00 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 30.96 3niv h PRO 107 CO 0.00 0.44 -0.13 -0.07 -0.21 0.00 0.00 178.00 178.02 3niv h LEU 108 N 0.68 0.00 -2.09 2.35 -0.00 -1.90 -3.17 115.31 111.18 3niv h LEU 108 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.42 3niv h LEU 108 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 3niv h LEU 108 CO -0.39 0.13 0.00 0.59 -0.00 0.00 0.00 178.44 178.77 3niv n ASN 109 N -3.96 2.59 -4.64 -0.43 3.02 -0.21 -4.67 115.26 106.95 3niv n ASN 109 Ca -0.02 -1.76 -0.38 0.00 -0.03 0.00 0.00 54.58 52.39 3niv n ASN 109 Cb 0.22 -0.12 0.05 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 0.78 1.17 -0.34 6.41 5.15 -0.92 -4.71 115.26 122.80 3niv n ASN 110 Ca 0.11 0.84 0.11 0.00 -0.60 0.00 0.00 54.58 55.04 3niv n ASN 110 Cb 0.40 -1.43 0.30 0.00 -0.53 0.00 0.00 39.78 38.52 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 0.64 0.71 -1.56 1.20 5.85 -1.93 0.19 115.31 120.41 3niv h LEU 111 Ca -0.49 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.35 3niv h LEU 111 Cb 1.35 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3niv h LEU 111 CO 0.52 0.25 0.31 0.08 -0.34 0.00 0.00 178.44 179.27 3niv h ARG 112 N 0.72 0.57 0.10 1.25 0.11 -1.96 -0.20 114.38 114.97 3niv h ARG 112 Ca 0.55 -0.03 -0.30 0.00 0.10 0.00 0.00 59.98 60.30 3niv h ARG 112 Cb 0.84 -0.13 0.03 0.00 1.11 0.00 0.00 29.97 31.82 3niv h ARG 112 CO -0.38 0.38 -1.22 0.28 0.10 0.00 0.00 179.97 179.12 3niv h VAL 113 N 0.59 1.29 -0.60 0.08 2.07 -0.95 -2.48 116.25 116.25 3niv h VAL 113 Ca 0.18 -2.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.22 3niv h VAL 113 Cb 0.01 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 3niv h VAL 113 CO -0.04 0.75 0.24 -0.07 0.02 0.00 0.00 177.57 178.46 3niv h LEU 114 N 0.29 0.79 -0.72 2.57 3.38 -0.74 -1.92 115.31 118.96 3niv h LEU 114 Ca -0.18 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.55 3niv h LEU 114 Cb 1.89 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 3niv h LEU 114 CO 0.23 0.71 -0.48 0.78 0.09 0.00 0.00 178.44 179.78 3niv h ASN 115 N 0.86 0.42 -0.34 -0.43 2.35 -1.06 -2.22 115.58 115.16 3niv h ASN 115 Ca 0.20 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3niv h ASN 115 Cb 0.17 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3niv h ASN 115 CO -0.02 0.84 0.02 -0.09 -1.65 0.00 0.00 177.43 176.52 3niv h ARG 116 N 0.31 0.69 -0.60 0.81 9.65 -0.94 0.24 114.38 124.54 3niv h ARG 116 Ca 0.02 -0.17 -0.07 0.00 -1.10 0.00 0.00 59.98 58.66 3niv h ARG 116 Cb 0.96 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.42 3niv h ARG 116 CO 0.08 0.70 0.08 -0.07 2.80 0.00 0.00 179.97 183.56 3niv h LEU 117 N 0.66 0.95 -0.18 3.80 3.38 -0.99 0.39 115.31 123.31 3niv h LEU 117 Ca 0.14 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3niv h LEU 117 Cb 0.39 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3niv h LEU 117 CO 0.01 0.96 -0.30 0.11 0.09 0.00 0.00 178.44 179.31 3niv h LYS 118 N 0.93 0.52 0.14 1.13 1.57 -0.93 -0.36 116.57 119.57 3niv h LYS 118 Ca 0.18 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3niv h LYS 118 Cb 0.43 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3niv h LYS 118 CO 0.01 0.92 -0.07 1.49 -0.57 0.00 0.00 179.45 181.24 3niv h GLU 119 N 0.16 -0.18 -0.77 3.15 4.81 -0.41 0.23 114.58 121.57 3niv h GLU 119 Ca 0.01 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3niv h GLU 119 Cb 0.89 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 3niv h GLU 119 CO 0.07 -0.12 0.51 1.96 -0.73 0.00 0.00 179.01 180.70 3niv h GLN 120 N -0.21 0.96 0.00 1.92 4.20 -1.05 -3.26 115.11 117.67 3niv h GLN 120 Ca -0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3niv h GLN 120 Cb 0.14 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3niv h GLN 120 CO 0.03 0.64 0.00 1.19 -0.67 0.00 0.00 178.83 180.02 3niv n PHE 121 N -4.44 0.00 -4.20 2.96 3.72 -0.19 -4.99 117.46 110.32 3niv n PHE 121 Ca 0.09 -0.14 -0.32 0.00 -0.05 0.00 0.00 57.45 57.03 3niv n PHE 121 Cb 0.07 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.14 -1.09 -4.68 4.37 3.02 0.81 -4.80 115.26 112.75 3niv n ASN 122 Ca 0.00 -1.11 -0.48 0.00 -0.03 0.00 0.00 54.58 52.97 3niv n ASN 122 Cb 0.14 -2.41 -0.05 0.00 -0.61 0.00 0.00 39.78 36.85 3niv n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3niv n ALA 123 N -4.40 1.03 -1.65 5.41 0.00 -0.97 -4.93 120.51 115.01 3niv n ALA 123 Ca -0.14 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 3niv n ALA 123 Cb 0.60 -2.43 0.20 0.00 0.00 0.00 0.00 19.45 17.82 3niv n ALA 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3niv s ASN 124 N 2.77 2.42 0.17 0.00 2.20 -1.26 -4.70 114.94 116.55 3niv s ASN 124 Ca 0.87 0.40 -0.12 0.00 -0.94 0.00 0.00 52.86 53.07 3niv s ASN 124 Cb -0.69 -0.51 0.07 0.00 -2.00 0.00 0.00 41.25 38.11 3niv s ASN 124 CO 0.46 -3.18 1.74 -0.08 -2.94 0.00 0.00 177.10 173.11 3niv h GLU 125 N -1.94 0.85 -0.19 3.55 4.81 -2.00 -1.97 114.58 117.69 3niv h GLU 125 Ca -0.45 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 58.59 3niv h GLU 125 Cb 1.26 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3niv h GLU 125 CO 0.37 0.71 -0.11 1.05 -0.73 0.00 0.00 179.01 180.31 3niv h GLU 126 N 0.79 0.31 -0.04 1.92 4.11 -1.99 -2.06 114.58 117.62 3niv h GLU 126 Ca 0.20 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 3niv h GLU 126 Cb 0.16 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3niv h GLU 126 CO -0.02 0.43 -0.01 1.96 0.07 0.00 0.00 179.01 181.44 3niv h GLN 127 N 0.29 0.07 -0.85 1.06 4.20 -1.81 -0.11 115.11 117.96 3niv h GLN 127 Ca 0.06 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.80 3niv h GLN 127 Cb 0.38 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 3niv h GLN 127 CO 0.02 0.40 0.56 0.28 -0.67 0.00 0.00 178.83 179.42 3niv h VAL 128 N -0.27 1.09 -0.49 -0.54 2.07 -1.20 -1.52 116.25 115.39 3niv h VAL 128 Ca 0.01 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 3niv h VAL 128 Cb 0.37 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3niv h VAL 128 CO 0.00 0.18 -0.15 -0.07 0.02 0.00 0.00 177.57 177.55 3niv h LEU 129 N 0.99 0.94 -0.29 2.57 -0.00 -1.17 0.02 115.31 118.37 3niv h LEU 129 Ca 0.36 -0.32 -0.05 0.00 -0.00 0.00 0.00 57.88 57.86 3niv h LEU 129 Cb 0.15 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 3niv h LEU 129 CO -0.12 1.08 -0.03 -0.08 -0.00 0.00 0.00 178.44 179.29 3niv h GLU 130 N 0.83 0.53 0.28 1.13 4.81 -0.44 0.88 114.58 122.60 3niv h GLU 130 Ca 0.12 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3niv h GLU 130 Cb 0.70 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3niv h GLU 130 CO 0.05 0.70 -0.40 2.35 -0.73 0.00 0.00 179.01 180.98 3niv h TRP 131 N 0.31 -1.12 -0.86 0.92 2.91 -1.27 -0.48 115.95 116.37 3niv h TRP 131 Ca 0.08 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.18 3niv h TRP 131 Cb 0.48 0.45 -0.06 0.00 -0.51 0.00 0.00 29.16 29.52 3niv h TRP 131 CO 0.04 -0.54 0.53 -0.92 -1.03 0.00 0.00 178.44 176.53 3niv h TYR 132 N -0.75 0.98 0.00 2.65 5.03 -0.85 -0.51 116.97 123.52 3niv h TYR 132 Ca -0.01 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.21 3niv h TYR 132 Cb 0.71 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 3niv h TYR 132 CO -0.28 0.50 -0.56 0.45 -1.32 0.00 0.00 178.16 176.95 3niv h HIS 133 N 0.97 0.00 -0.50 -3.82 3.86 -0.73 -2.94 115.15 111.99 3niv h HIS 133 Ca 0.37 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.58 3niv h HIS 133 Cb 0.17 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 3niv h HIS 133 CO -0.03 0.56 0.30 1.25 0.86 0.00 0.00 177.93 180.87 3niv h HIS 134 N 0.00 0.66 0.00 2.45 -0.00 0.61 -1.36 115.15 117.51 3niv h HIS 134 Ca -0.01 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.26 3niv h HIS 134 Cb 1.06 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 28.24 3niv h HIS 134 CO 0.00 0.46 -0.50 -1.49 -0.00 0.00 0.00 177.93 176.41 3niv h TRP 135 N 0.67 0.00 -0.16 5.26 4.06 -1.48 -2.36 115.95 121.94 3niv h TRP 135 Ca 0.18 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.12 3niv h TRP 135 Cb -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3niv h TRP 135 CO -0.03 0.50 0.06 -0.07 -3.56 0.00 0.00 178.44 175.34 3niv h LEU 136 N 0.00 0.22 -0.12 -4.49 -0.00 -1.30 -0.97 115.31 108.65 3niv h LEU 136 Ca -0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 3niv h LEU 136 Cb 1.28 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.87 3niv h LEU 136 CO 0.06 0.33 0.08 0.50 -0.00 0.00 0.00 178.44 179.42 3niv h LYS 137 N 0.09 0.17 -0.40 1.13 3.64 -1.12 0.14 116.57 120.21 3niv h LYS 137 Ca 0.05 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3niv h LYS 137 Cb 0.19 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3niv h LYS 137 CO -0.00 0.13 0.24 1.15 -2.27 0.00 0.00 179.45 178.70 3niv h THR 138 N 0.15 1.13 -0.47 1.00 2.02 -1.40 0.17 112.91 115.52 3niv h THR 138 Ca 0.05 -0.29 -0.14 0.00 0.77 0.00 0.00 66.41 66.80 3niv h THR 138 Cb 0.01 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3niv h THR 138 CO -0.01 0.13 -0.24 1.23 0.37 0.00 0.00 175.52 177.00 3niv h GLY 139 N 0.52 1.07 1.63 2.16 0.00 -0.96 -2.54 103.07 104.95 3niv h GLY 139 Ca 0.14 -0.97 -0.21 0.00 0.00 0.00 0.00 47.33 46.29 3niv h GLY 139 CO -0.03 0.88 -0.87 0.74 0.00 0.00 0.00 176.54 177.26 3niv h PHE 140 N 0.84 0.50 0.04 5.60 0.04 -0.62 -1.30 116.94 122.04 3niv h PHE 140 Ca 0.10 -0.26 0.03 0.00 2.80 0.00 0.00 57.97 60.64 3niv h PHE 140 Cb 0.83 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.87 3niv h PHE 140 CO 0.06 1.06 -0.30 -0.44 -0.60 0.00 0.00 178.31 178.09 3niv h ASP 141 N 0.20 -0.88 -0.61 2.17 3.32 -0.96 0.42 116.42 120.08 3niv h ASP 141 Ca -0.06 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3niv h ASP 141 Cb 1.49 0.35 -0.03 0.00 0.22 0.00 0.00 39.33 41.37 3niv h ASP 141 CO 0.15 -0.37 0.24 0.00 -1.72 0.00 0.00 179.24 177.53 3niv h ALA 142 N 0.26 0.79 -0.56 3.45 0.00 -1.39 -1.19 119.26 120.62 3niv h ALA 142 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3niv h ALA 142 Cb 0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3niv h ALA 142 CO -0.23 0.42 0.16 0.35 0.00 0.00 0.00 179.25 179.95 3niv h PHE 143 N 0.85 0.91 -0.05 0.00 3.04 -1.00 -2.67 116.94 118.02 3niv h PHE 143 Ca 0.20 -0.10 -0.15 0.00 3.98 0.00 0.00 57.97 61.90 3niv h PHE 143 Cb 0.22 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 3niv h PHE 143 CO 0.01 0.77 -0.65 1.49 -2.02 0.00 0.00 178.31 177.92 3niv h GLU 144 N 0.78 0.21 -0.07 1.11 4.57 -0.70 -1.63 114.58 118.86 3niv h GLU 144 Ca 0.18 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3niv h GLU 144 Cb 0.30 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 3niv h GLU 144 CO -0.00 0.79 -0.18 0.93 -1.18 0.00 0.00 179.01 179.36 3niv h GLU 145 N 0.15 -0.17 0.00 1.92 4.39 -1.03 -0.66 114.58 119.18 3niv h GLU 145 Ca -0.01 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3niv h GLU 145 Cb 1.17 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 3niv h GLU 145 CO 0.10 -0.12 -0.24 0.87 -1.16 0.00 0.00 179.01 178.46 3niv h LYS 146 N -0.18 0.00 -0.78 2.33 1.57 -1.42 -0.91 116.57 117.19 3niv h LYS 146 Ca 0.01 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3niv h LYS 146 Cb 0.22 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 3niv h LYS 146 CO -0.16 0.24 0.46 1.25 -0.57 0.00 0.00 179.45 180.68 3niv h LEU 147 N 0.00 0.72 0.00 2.94 5.85 -0.95 -1.73 115.31 122.13 3niv h LEU 147 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3niv h LEU 147 Cb 0.51 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3niv h LEU 147 CO 0.03 0.46 0.00 0.61 -0.34 0.00 0.00 178.44 179.20 3niv n GLY 148 N -1.31 -0.72 0.61 3.75 0.00 -0.29 -2.09 105.19 105.15 3niv n GLY 148 Ca 0.11 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.36 3.03 -2.78 4.61 0.00 -0.65 -4.98 120.51 118.38 3niv n ALA 149 Ca 0.04 -0.63 -0.22 0.00 0.00 0.00 0.00 53.44 52.63 3niv n ALA 149 Cb 0.10 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.10 3.68 0.13 0.00 1.43 -0.89 -5.13 118.68 115.80 3niv s LEU 150 Ca 0.20 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 3niv s LEU 150 Cb 0.17 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3niv s LEU 150 CO 0.41 -0.03 -0.05 -1.61 0.23 0.00 0.00 176.35 175.31 3niv s GLU 151 N -3.79 2.30 0.06 1.70 0.41 -1.26 -5.04 118.70 113.08 3niv s GLU 151 Ca 0.32 -1.03 -0.14 0.00 -0.41 0.00 0.00 54.97 53.72 3niv s GLU 151 Cb -0.08 -2.36 0.02 0.00 -1.78 0.00 0.00 34.13 29.93 3niv s GLU 151 CO 0.24 0.49 0.31 -0.98 -0.49 0.00 0.00 175.26 174.83 3niv s ARG 152 N -2.52 0.86 0.01 1.61 1.70 -1.26 -1.62 118.95 117.74 3niv s ARG 152 Ca 0.25 -0.59 0.22 0.00 -0.47 0.00 0.00 55.73 55.14 3niv s ARG 152 Cb -0.10 0.37 -0.22 0.00 -0.57 0.00 0.00 34.95 34.42 3niv s ARG 152 CO 0.16 -0.29 0.69 -0.25 -1.08 0.00 0.00 175.30 174.54 3niv n ASP 153 N 0.36 0.35 -2.53 -2.89 9.92 0.76 -4.89 116.55 117.64 3niv n ASP 153 Ca -0.18 -0.14 -0.12 0.00 -0.53 0.00 0.00 54.79 53.82 3niv n ASP 153 Cb 0.61 1.48 -0.04 0.00 -0.64 0.00 0.00 41.12 42.52 3niv n ASP 153 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3niv n LYS 154 N -2.15 0.41 -1.76 -1.24 2.85 -1.25 -5.05 118.16 109.96 3niv n LYS 154 Ca -0.01 -2.21 -0.42 0.00 -1.05 0.00 0.00 58.31 54.61 3niv n LYS 154 Cb 0.51 1.97 -0.00 0.00 -0.65 0.00 0.00 35.03 36.86 3niv n LYS 154 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3niv n PRO 155 N -0.44 2.97 -4.58 -1.58 -0.02 -1.26 -4.85 135.00 125.24 3niv n PRO 155 Ca 0.03 -2.66 -0.26 0.00 -2.02 0.00 0.00 63.50 58.58 3niv n PRO 155 Cb 0.43 -3.23 -0.10 0.00 -0.02 0.00 0.00 33.50 30.58 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 2.89 1.46 0.19 -1.45 -7.23 -1.26 -4.22 120.40 110.77 3niv s VAL 156 Ca 0.47 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.54 3niv s VAL 156 Cb 0.14 -2.74 0.11 0.00 0.56 0.00 0.00 36.38 34.45 3niv s VAL 156 CO -0.08 0.00 1.74 0.00 -0.31 0.00 0.00 175.10 176.45 3niv s PHE 158 N -5.53 -0.77 0.00 0.00 5.36 -1.26 -4.81 117.98 110.96 3niv s PHE 158 Ca -0.13 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 3niv s PHE 158 Cb 0.14 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 43.21 3niv s PHE 158 CO 0.81 -0.40 0.00 0.41 -1.46 0.00 0.00 175.22 174.58 3niv n GLY 159 N 4.06 0.48 0.00 13.12 0.00 -0.64 -4.28 105.19 117.94 3niv n GLY 159 Ca -0.21 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 3.97 0.50 -4.21 1.61 7.64 -1.26 -0.17 113.62 121.70 3niv n SER 160 Ca 0.00 -1.18 -0.20 0.00 1.01 0.00 0.00 58.87 58.50 3niv n SER 160 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.18 0.92 0.40 1.43 0.41 -1.26 -4.94 118.70 115.47 3niv s GLU 161 Ca 0.00 -1.04 -0.25 0.00 -0.41 0.00 0.00 54.97 53.27 3niv s GLU 161 Cb 0.00 -0.98 -0.08 0.00 -1.78 0.00 0.00 34.13 31.29 3niv s GLU 161 CO 0.00 0.22 1.19 0.08 -0.49 0.00 0.00 175.26 176.26 3niv s VAL 162 N -1.35 3.06 0.00 2.63 1.01 -1.26 -4.70 120.40 119.79 3niv s VAL 162 Ca 0.01 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3niv s VAL 162 Cb -0.09 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3niv s VAL 162 CO 0.03 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3niv n GLY 163 N 0.66 4.24 0.27 4.51 0.00 -1.26 -4.80 105.19 108.81 3niv n GLY 163 Ca 0.04 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.46 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 0.40 -0.97 0.99 5.85 -1.42 0.53 115.31 120.68 3niv h LEU 164 Ca 0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3niv h LEU 164 Cb 0.00 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3niv h LEU 164 CO 0.00 0.20 0.65 0.00 -0.34 0.00 0.00 178.44 178.95 3niv h ALA 165 N 1.47 1.24 -0.40 1.25 0.00 -1.85 -1.64 119.26 119.33 3niv h ALA 165 Ca 0.37 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 3niv h ALA 165 Cb 0.47 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3niv h ALA 165 CO -0.32 0.63 -0.35 -0.44 0.00 0.00 0.00 179.25 178.77 3niv h ASP 166 N 1.32 0.99 -0.81 0.00 5.19 -1.57 -0.40 116.42 121.13 3niv h ASP 166 Ca 0.36 -0.43 0.07 0.00 -0.62 0.00 0.00 57.03 56.40 3niv h ASP 166 Cb -0.15 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 39.03 3niv h ASP 166 CO -0.08 1.23 0.53 0.58 -3.12 0.00 0.00 179.24 178.38 3niv h VAL 167 N 0.77 1.04 0.00 -1.35 2.07 -0.51 -2.15 116.25 116.12 3niv h VAL 167 Ca 0.07 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 3niv h VAL 167 Cb 0.93 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3niv h VAL 167 CO 0.09 0.16 -1.04 0.00 0.02 0.00 0.00 177.57 176.80 3niv h LEU 169 N 0.00 0.33 -0.09 0.00 5.85 -0.45 -3.21 115.31 117.75 3niv h LEU 169 Ca -0.09 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 58.10 3niv h LEU 169 Cb 1.48 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 3niv h LEU 169 CO 0.05 0.83 -0.13 0.40 -0.34 0.00 0.00 178.44 179.25 3niv h ILE 170 N -0.15 0.66 -0.92 4.05 5.03 -1.62 -1.42 117.51 123.14 3niv h ILE 170 Ca 0.00 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.78 3niv h ILE 170 Cb 0.77 0.66 -0.05 0.00 -3.03 0.00 0.00 36.82 35.17 3niv h ILE 170 CO 0.04 0.00 0.60 -0.65 -0.68 0.00 0.00 178.15 177.46 3niv h PRO 171 N -0.17 1.11 -0.86 2.37 0.11 -1.76 -1.30 132.00 131.50 3niv h PRO 171 Ca 0.08 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3niv h PRO 171 Cb 0.28 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.10 3niv h PRO 171 CO -0.19 0.74 0.47 0.37 -0.21 0.00 0.00 178.00 179.17 3niv h GLN 172 N 1.14 1.20 -0.20 1.05 5.75 -1.37 -2.11 115.11 120.57 3niv h GLN 172 Ca 0.37 -0.14 -0.17 0.00 -0.15 0.00 0.00 58.65 58.56 3niv h GLN 172 Cb 0.03 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 28.34 3niv h GLN 172 CO -0.11 0.88 -0.57 0.28 -2.65 0.00 0.00 178.83 176.66 3niv h VAL 173 N 1.20 1.31 -0.26 2.39 2.07 -0.75 -2.42 116.25 119.79 3niv h VAL 173 Ca 0.30 -1.81 0.06 0.00 0.82 0.00 0.00 66.70 66.08 3niv h VAL 173 Cb 0.03 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 3niv h VAL 173 CO -0.05 0.57 -0.16 0.22 0.02 0.00 0.00 177.57 178.17 3niv h TYR 174 N 0.48 -0.41 -0.98 1.57 5.03 -0.96 -1.87 116.97 119.83 3niv h TYR 174 Ca 0.01 0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.47 3niv h TYR 174 Cb 1.13 0.22 -0.09 0.00 1.55 0.00 0.00 36.73 39.55 3niv h TYR 174 CO 0.05 -0.24 0.60 -0.91 -1.32 0.00 0.00 178.16 176.35 3niv h ASN 175 N -0.14 0.87 -0.28 -2.11 2.35 -1.17 -1.88 115.58 113.22 3niv h ASN 175 Ca 0.14 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3niv h ASN 175 Cb 0.36 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3niv h ASN 175 CO -0.35 0.44 0.10 0.00 -1.65 0.00 0.00 177.43 175.97 3niv h ALA 176 N 1.54 0.36 -0.25 -0.83 0.00 -0.86 -1.32 119.26 117.90 3niv h ALA 176 Ca 0.49 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 3niv h ALA 176 Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3niv h ALA 176 CO -0.28 -0.03 0.02 0.45 0.00 0.00 0.00 179.25 179.41 3niv h HIS 177 N 0.29 0.46 -1.06 0.00 3.86 -1.22 0.31 115.15 117.80 3niv h HIS 177 Ca 0.09 -0.07 0.28 0.00 -1.16 0.00 0.00 60.37 59.51 3niv h HIS 177 Cb 0.21 -0.12 -0.08 0.00 1.06 0.00 0.00 27.41 28.48 3niv h HIS 177 CO -0.00 0.57 0.71 -0.09 0.86 0.00 0.00 177.93 179.98 3niv h ARG 178 N 0.22 0.25 -0.46 2.45 2.43 -1.19 0.97 114.38 119.05 3niv h ARG 178 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3niv h ARG 178 Cb 0.37 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3niv h ARG 178 CO 0.01 0.16 0.00 1.19 -1.51 0.00 0.00 179.97 179.82 3niv n PHE 179 N -4.47 1.51 -4.24 2.20 3.01 -0.51 -4.96 117.46 109.99 3niv n PHE 179 Ca 0.25 -0.76 -0.30 0.00 1.01 0.00 0.00 57.45 57.65 3niv n PHE 179 Cb 0.98 -0.38 -0.08 0.00 -0.01 0.00 0.00 39.48 39.99 3niv n PHE 179 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 3niv n HIS 180 N 0.27 -1.35 -2.86 1.38 1.44 0.34 -4.96 115.22 109.47 3niv n HIS 180 Ca 0.24 0.65 -0.39 0.00 -2.01 0.00 0.00 57.72 56.21 3niv n HIS 180 Cb 1.01 -3.00 -0.06 0.00 0.12 0.00 0.00 29.99 28.07 3niv n HIS 180 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 3niv s PHE 181 N -4.25 3.86 0.32 -1.40 5.36 0.90 -4.98 117.98 117.79 3niv s PHE 181 Ca 0.03 1.75 -0.02 0.00 -0.96 0.00 0.00 56.93 57.73 3niv s PHE 181 Cb -0.02 -2.87 0.07 0.00 -0.34 0.00 0.00 43.02 39.86 3niv s PHE 181 CO 0.97 0.41 0.44 -3.47 -1.46 0.00 0.00 175.22 172.11 3niv n ASP 182 N 1.22 0.43 0.00 6.13 2.03 -1.26 -4.53 116.55 120.57 3niv n ASP 182 Ca -0.02 -1.40 0.00 0.00 0.52 0.00 0.00 54.79 53.89 3niv n ASP 182 Cb 0.49 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 -3.06 0.00 0.71 -1.67 0.00 -1.26 -4.93 120.51 110.30 3niv n ALA 184 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.46 3niv n ALA 184 Cb 0.24 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.10 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 0.61 0.00 -3.26 0.00 2.88 -1.26 -4.26 113.62 108.34 3niv n SER 185 Ca 0.00 0.35 -0.26 0.00 -1.33 0.00 0.00 58.87 57.63 3niv n SER 185 Cb 0.00 -0.43 -0.07 0.00 -0.75 0.00 0.00 64.21 62.96 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 -1.43 2.86 -0.08 0.66 4.01 -1.26 -4.95 117.16 116.97 3niv n TYR 186 Ca 0.06 -4.00 -0.07 0.00 -0.16 0.00 0.00 57.90 53.72 3niv n TYR 186 Cb 0.19 -0.50 -0.00 0.00 -0.31 0.00 0.00 39.34 38.72 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 3.80 0.26 -0.60 -0.72 0.11 -1.99 0.21 132.00 133.05 3niv h PRO 187 Ca 0.16 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 3niv h PRO 187 Cb 0.68 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.71 3niv h PRO 187 CO 0.75 0.17 0.23 0.82 -0.21 0.00 0.00 178.00 179.76 3niv h ILE 188 N 0.26 1.23 -0.21 4.15 2.04 -1.96 0.33 117.51 123.35 3niv h ILE 188 Ca 0.13 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 3niv h ILE 188 Cb 0.09 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3niv h ILE 188 CO -0.12 0.29 0.09 0.40 0.00 0.00 0.00 178.15 178.80 3niv h ILE 189 N 0.84 1.16 -0.93 -0.67 2.04 -1.88 -0.75 117.51 117.32 3niv h ILE 189 Ca 0.20 -0.46 0.10 0.00 1.00 0.00 0.00 64.86 65.70 3niv h ILE 189 Cb 0.22 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 3niv h ILE 189 CO -0.01 0.15 0.60 0.78 0.00 0.00 0.00 178.15 179.67 3niv h ASN 190 N 0.19 0.86 -0.11 1.72 2.35 -0.19 -0.11 115.58 120.29 3niv h ASN 190 Ca 0.07 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3niv h ASN 190 Cb 0.16 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3niv h ASN 190 CO -0.01 0.50 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.91 3niv h GLU 191 N 0.94 0.21 -0.15 0.81 5.08 -0.61 -2.27 114.58 118.59 3niv h GLU 191 Ca 0.44 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3niv h GLU 191 Cb 0.41 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3niv h GLU 191 CO -0.20 0.51 0.09 0.82 -1.00 0.00 0.00 179.01 179.24 3niv h ILE 192 N -0.11 1.08 -0.33 3.13 2.04 -0.66 0.64 117.51 123.31 3niv h ILE 192 Ca 0.03 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3niv h ILE 192 Cb 0.44 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3niv h ILE 192 CO 0.01 0.08 0.02 -1.13 0.00 0.00 0.00 178.15 177.13 3niv h ASN 193 N 0.16 -0.08 0.24 1.72 -1.24 -1.09 0.15 115.58 115.44 3niv h ASN 193 Ca 0.05 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.14 3niv h ASN 193 Cb 0.05 0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 3niv h ASN 193 CO -0.01 -0.01 -0.29 -0.33 -1.29 0.00 0.00 177.43 175.50 3niv h GLU 194 N 0.12 -0.57 0.04 6.67 5.08 -1.10 -1.04 114.58 123.78 3niv h GLU 194 Ca 0.16 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3niv h GLU 194 Cb 0.20 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3niv h GLU 194 CO -0.24 -0.38 -0.21 -0.92 -1.00 0.00 0.00 179.01 176.26 3niv h TYR 195 N -0.59 -0.62 -1.13 4.33 3.20 -0.54 -2.40 116.97 119.23 3niv h TYR 195 Ca -0.00 0.02 0.32 0.00 3.14 0.00 0.00 58.73 62.21 3niv h TYR 195 Cb 0.56 0.26 -0.10 0.00 1.54 0.00 0.00 36.73 38.99 3niv h TYR 195 CO -0.21 -0.24 0.73 0.00 -1.64 0.00 0.00 178.16 176.81 3niv n LEU 197 N -4.64 0.00 -0.04 0.00 4.77 -0.40 -1.49 117.00 115.20 3niv n LEU 197 Ca 0.29 0.29 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 3niv n LEU 197 Cb 1.07 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.91 3niv n LEU 197 CO 0.24 -0.20 0.18 0.35 -1.33 0.00 0.00 177.39 176.63 3niv n THR 198 N -1.29 0.00 -2.93 -5.08 -2.24 0.25 -4.51 114.28 98.49 3niv n THR 198 Ca 0.04 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 3niv n THR 198 Cb 0.07 0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.95 4.55 0.24 3.22 1.43 -0.56 -4.95 118.68 119.66 3niv s LEU 199 Ca 0.10 1.64 -0.05 0.00 -1.03 0.00 0.00 54.13 54.79 3niv s LEU 199 Cb 0.17 -3.34 0.42 0.00 0.03 0.00 0.00 46.19 43.46 3niv s LEU 199 CO 0.78 0.12 1.76 -0.65 0.23 0.00 0.00 176.35 178.59 3niv h PRO 200 N 4.84 0.55 -0.83 1.29 0.11 -1.90 0.26 132.00 136.32 3niv h PRO 200 Ca -0.45 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.72 3niv h PRO 200 Cb 1.21 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.12 3niv h PRO 200 CO 0.68 0.37 0.47 0.00 -0.21 0.00 0.00 178.00 179.31 3niv h ALA 201 N 1.49 1.19 0.04 -0.75 0.00 -1.93 0.40 119.26 119.71 3niv h ALA 201 Ca 0.40 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3niv h ALA 201 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3niv h ALA 201 CO -0.33 0.09 -0.02 0.74 0.00 0.00 0.00 179.25 179.73 3niv h PHE 202 N 0.79 -0.05 -0.43 0.00 -1.00 -1.67 -3.30 116.94 111.27 3niv h PHE 202 Ca 0.40 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.25 3niv h PHE 202 Cb 0.39 0.02 -0.06 0.00 3.61 0.00 0.00 35.95 39.90 3niv h PHE 202 CO -0.06 0.62 0.07 1.25 -1.61 0.00 0.00 178.31 178.59 3niv h HIS 203 N -0.85 0.12 0.00 -0.55 2.76 -0.08 -1.91 115.15 114.64 3niv h HIS 203 Ca -0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3niv h HIS 203 Cb 0.69 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.66 3niv h HIS 203 CO 0.17 -0.01 0.00 -0.25 -1.30 0.00 0.00 177.93 176.54 3niv n ASP 204 N -5.12 0.43 -0.14 3.26 8.00 0.14 -2.33 116.55 120.80 3niv n ASP 204 Ca 0.04 0.58 0.11 0.00 0.71 0.00 0.00 54.79 56.23 3niv n ASP 204 Cb 0.21 -0.68 0.12 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.67 3.82 -1.72 2.24 0.00 -0.73 -4.74 120.51 117.70 3niv n ALA 205 Ca 0.04 -0.49 -0.38 0.00 0.00 0.00 0.00 53.44 52.61 3niv n ALA 205 Cb 0.27 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.05 1.21 -0.15 0.00 0.00 -0.98 -4.84 120.51 114.69 3niv n ALA 206 Ca 0.07 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.62 3niv n ALA 206 Cb 0.36 -2.32 0.38 0.00 0.00 0.00 0.00 19.45 17.87 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 0.79 0.67 -0.30 0.00 0.11 -1.90 -1.71 132.00 129.65 3niv h PRO 207 Ca -0.51 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 3niv h PRO 207 Cb 1.33 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3niv h PRO 207 CO 0.54 0.44 -0.10 0.93 -0.21 0.00 0.00 178.00 179.61 3niv h GLU 208 N 0.69 0.49 0.00 1.05 3.07 -1.90 -1.75 114.58 116.23 3niv h GLU 208 Ca 0.29 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3niv h GLU 208 Cb 0.27 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3niv h GLU 208 CO -0.09 0.59 -0.11 0.00 -1.40 0.00 0.00 179.01 178.00 3niv h ALA 209 N 1.44 1.69 -0.30 3.43 0.00 -1.59 -3.00 119.26 120.93 3niv h ALA 209 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3niv h ALA 209 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3niv h ALA 209 CO 0.02 0.14 0.02 0.82 0.00 0.00 0.00 179.25 180.26 3niv h ILE 210 N 0.00 1.25 -0.02 0.00 5.03 -1.27 -3.50 117.51 118.99 3niv h ILE 210 Ca -0.00 -0.89 0.00 0.00 -0.12 0.00 0.00 64.86 63.85 3niv h ILE 210 Cb 0.22 1.24 0.00 0.00 -3.03 0.00 0.00 36.82 35.25 3niv h ILE 210 CO 0.01 0.29 0.00 -1.54 -0.68 0.00 0.00 178.15 176.23