#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cmd n GLY -7 N 0.00 1.45 3.62 0.46 0.00 -1.26 -4.90 105.19 104.56 3cmd n GLY -7 Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 3cmd n GLY -7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cmd s LEU -6 N 8.62 3.83 -0.06 0.99 1.98 -1.26 -4.96 118.68 127.82 3cmd s LEU -6 Ca 0.65 1.17 -0.29 0.00 -2.89 0.00 0.00 54.13 52.77 3cmd s LEU -6 Cb 0.03 -3.54 -0.06 0.00 0.66 0.00 0.00 46.19 43.27 3cmd s LEU -6 CO 0.13 -1.16 1.85 0.68 -1.89 0.00 0.00 176.35 175.96 3cmd s VAL -5 N 4.63 3.29 0.00 1.68 -7.23 -1.26 -4.95 120.40 116.56 3cmd s VAL -5 Ca 0.58 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 3cmd s VAL -5 Cb -0.17 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.52 3cmd s VAL -5 CO 0.25 -0.06 0.10 -0.81 -0.31 0.00 0.00 175.10 174.27 3cmd n PRO -4 N 7.59 0.00 -1.37 4.82 -0.04 -1.26 -5.02 135.00 139.72 3cmd n PRO -4 Ca 0.20 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.54 3cmd n PRO -4 Cb 0.43 -0.56 0.07 0.00 -0.04 0.00 0.00 33.50 33.40 3cmd n PRO -4 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cmd n GLY -3 N 1.91 0.13 3.31 0.55 0.00 -1.26 -5.13 105.19 104.69 3cmd n GLY -3 Ca 0.00 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 3cmd n GLY -3 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cmd s ARG -2 N -3.89 0.88 0.29 1.61 3.00 -1.26 -5.18 118.95 114.39 3cmd s ARG -2 Ca 0.33 -0.32 -0.19 0.00 -1.00 0.00 0.00 55.73 54.54 3cmd s ARG -2 Cb -0.02 0.39 0.06 0.00 0.00 0.00 0.00 34.95 35.38 3cmd s ARG -2 CO 0.22 -0.29 0.86 -3.38 0.00 0.00 0.00 175.30 172.72 3cmd s HIS -1 N -2.25 0.03 0.43 5.12 -3.43 -1.26 -5.18 115.29 108.74 3cmd s HIS -1 Ca -0.07 -0.55 0.07 0.00 -0.80 0.00 0.00 55.06 53.71 3cmd s HIS -1 Cb -0.01 0.76 -0.04 0.00 -1.43 0.00 0.00 32.58 31.85 3cmd s HIS -1 CO -0.01 -1.27 0.18 -1.64 -2.00 0.00 0.00 174.74 170.01 3cmd s MET 0 N -2.66 2.22 -0.01 -0.38 -1.94 -1.26 -5.14 119.30 110.12 3cmd s MET 0 Ca 0.16 -1.90 0.04 0.00 -1.71 0.00 0.00 55.69 52.28 3cmd s MET 0 Cb -0.04 -1.95 -0.01 0.00 2.01 0.00 0.00 34.83 34.84 3cmd s MET 0 CO 0.08 -0.17 -0.13 -1.64 -0.01 0.00 0.00 175.02 173.15 3cmd s MET 1 N -3.93 1.13 0.10 2.03 -1.94 -1.26 -4.90 119.30 110.53 3cmd s MET 1 Ca 0.38 -0.47 -0.30 0.00 -1.71 0.00 0.00 55.69 53.59 3cmd s MET 1 Cb 0.03 -1.08 -0.06 0.00 2.01 0.00 0.00 34.83 35.74 3cmd s MET 1 CO 0.21 0.27 0.95 0.42 -0.01 0.00 0.00 175.02 176.86 3cmd s ILE 2 N -0.23 4.53 0.32 2.53 1.01 -1.26 -5.04 121.20 123.05 3cmd s ILE 2 Ca 0.04 2.05 0.09 0.00 0.00 0.00 0.00 60.65 62.82 3cmd s ILE 2 Cb -0.06 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 3cmd s ILE 2 CO -0.00 0.32 0.02 0.42 0.00 0.00 0.00 174.94 175.69 3cmd s THR 3 N 0.03 2.84 0.55 2.92 -4.23 -1.26 -4.98 115.64 111.49 3cmd s THR 3 Ca 0.47 -1.94 0.23 0.00 -1.18 0.00 0.00 61.69 59.27 3cmd s THR 3 Cb -0.23 -2.81 0.34 0.00 1.34 0.00 0.00 72.50 71.14 3cmd s THR 3 CO 0.29 -0.24 2.09 0.24 -0.54 0.00 0.00 174.62 176.47 3cmd h MET 4 N 1.80 0.00 0.00 3.99 0.00 -1.90 -0.92 114.93 117.90 3cmd h MET 4 Ca -0.43 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.25 3cmd h MET 4 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.85 3cmd h MET 4 CO 0.65 0.00 -0.08 -0.44 0.00 0.00 0.00 176.91 177.04 3cmd h ASP 5 N 0.00 0.00 1.43 1.22 5.19 -1.96 -2.24 116.42 120.05 3cmd h ASP 5 Ca 0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3cmd h ASP 5 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 3cmd h ASP 5 CO -0.00 0.08 0.00 0.44 -3.12 0.00 0.00 179.24 176.63 3cmd h ASP 6 N 0.00 0.00 -3.56 6.45 3.32 -1.55 -3.42 116.42 117.66 3cmd h ASP 6 Ca -0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3cmd h ASP 6 Cb 0.53 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.99 3cmd h ASP 6 CO 0.01 0.00 0.69 -0.63 -1.72 0.00 0.00 179.24 177.59 3cmd s ILE 7 N -3.48 4.36 0.72 0.35 1.01 -0.85 -4.44 121.20 118.87 3cmd s ILE 7 Ca 0.04 0.79 -0.15 0.00 0.00 0.00 0.00 60.65 61.33 3cmd s ILE 7 Cb 0.07 -4.52 0.03 0.00 0.01 0.00 0.00 42.46 38.06 3cmd s ILE 7 CO 0.60 -0.97 1.17 0.27 0.00 0.00 0.00 174.94 176.00 3cmd s ILE 8 N 4.05 2.65 0.32 2.92 -4.36 0.38 -4.94 121.20 122.23 3cmd s ILE 8 Ca 0.39 0.31 0.08 0.00 -0.26 0.00 0.00 60.65 61.17 3cmd s ILE 8 Cb -0.10 -2.82 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 3cmd s ILE 8 CO 0.26 -0.19 0.14 -0.13 0.24 0.00 0.00 174.94 175.27 3cmd s ARG 9 N -4.04 2.43 0.13 0.37 1.81 -1.26 -4.48 118.95 113.90 3cmd s ARG 9 Ca 0.71 -1.48 -0.34 0.00 -1.72 0.00 0.00 55.73 52.90 3cmd s ARG 9 Cb -0.25 -2.22 -0.17 0.00 -0.45 0.00 0.00 34.95 31.85 3cmd s ARG 9 CO 0.45 0.16 1.07 -1.91 -0.68 0.00 0.00 175.30 174.39 3cmd n GLU 10 N -1.14 0.73 0.00 3.54 2.13 0.06 -1.50 120.64 124.46 3cmd n GLU 10 Ca -0.04 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.04 3cmd n GLU 10 Cb 0.61 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.61 3cmd n GLU 10 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cmd n GLY 11 N 1.95 2.06 3.68 8.31 0.00 -1.26 -5.06 105.19 114.87 3cmd n GLY 11 Ca 0.17 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3cmd n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cmd s ASN 12 N -0.22 6.60 0.36 1.61 3.84 -0.56 -4.90 114.94 121.67 3cmd s ASN 12 Ca 0.00 2.47 0.12 0.00 0.21 0.00 0.00 52.86 55.66 3cmd s ASN 12 Cb 0.00 -2.56 0.91 0.00 -0.55 0.00 0.00 41.25 39.05 3cmd s ASN 12 CO 0.00 -0.91 1.83 -0.65 -2.79 0.00 0.00 177.10 174.58 3cmd h PRO 13 N 8.64 0.58 -0.96 0.43 0.11 -1.97 -2.13 132.00 136.71 3cmd h PRO 13 Ca -0.43 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 65.86 3cmd h PRO 13 Cb 1.20 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 3cmd h PRO 13 CO 0.93 0.38 0.62 1.15 -0.21 0.00 0.00 178.00 180.88 3cmd h THR 14 N 0.60 0.65 0.00 -1.15 2.02 -1.93 0.37 112.91 113.47 3cmd h THR 14 Ca 0.51 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.53 3cmd h THR 14 Cb 1.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3cmd h THR 14 CO -0.26 0.09 0.00 -0.07 0.37 0.00 0.00 175.52 175.65 3cmd h LEU 15 N 0.47 0.00 -2.09 2.58 3.38 -1.64 -2.48 115.31 115.53 3cmd h LEU 15 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 3cmd h LEU 15 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3cmd h LEU 15 CO -0.24 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.83 3cmd n ARG 16 N -2.72 1.92 -2.27 1.13 3.00 0.13 -4.24 116.66 113.61 3cmd n ARG 16 Ca -0.01 -1.84 -0.26 0.00 -0.01 0.00 0.00 57.85 55.73 3cmd n ARG 16 Cb 0.14 -1.37 0.10 0.00 0.00 0.00 0.00 32.46 31.34 3cmd n ARG 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3cmd s GLU 17 N -1.29 1.74 -0.41 5.56 2.02 -0.94 -4.57 118.70 120.81 3cmd s GLU 17 Ca 0.26 -0.55 -0.11 0.00 0.02 0.00 0.00 54.97 54.59 3cmd s GLU 17 Cb 0.16 -2.16 0.06 0.00 0.10 0.00 0.00 34.13 32.29 3cmd s GLU 17 CO 0.23 -1.52 0.27 0.08 0.02 0.00 0.00 175.26 174.33 3cmd s VAL 18 N -3.33 4.54 0.37 2.63 1.01 -1.26 -1.66 120.40 122.70 3cmd s VAL 18 Ca 0.65 -1.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 3cmd s VAL 18 Cb -0.08 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 3cmd s VAL 18 CO 0.46 -0.42 1.02 0.00 0.00 0.00 0.00 175.10 176.16 3cmd n ALA 19 N 5.00 0.08 -1.77 5.51 0.00 -0.42 -4.94 120.51 123.96 3cmd n ALA 19 Ca -0.11 0.30 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 3cmd n ALA 19 Cb 0.44 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 3cmd n ALA 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3cmd s LYS 20 N -1.82 4.67 0.70 0.00 -0.14 0.11 -4.53 119.74 118.74 3cmd s LYS 20 Ca 0.61 1.40 -0.16 0.00 -1.36 0.00 0.00 55.97 56.45 3cmd s LYS 20 Cb -0.61 -2.97 0.02 0.00 -1.68 0.00 0.00 37.83 32.59 3cmd s LYS 20 CO 0.59 0.35 1.27 -2.00 -0.76 0.00 0.00 175.35 174.80 3cmd s GLU 21 N -1.75 2.22 -0.07 1.68 2.56 -1.26 -0.75 118.70 121.32 3cmd s GLU 21 Ca 0.47 1.97 -0.01 0.00 0.00 0.00 0.00 54.97 57.41 3cmd s GLU 21 Cb -0.22 -1.82 -0.03 0.00 2.00 0.00 0.00 34.13 34.07 3cmd s GLU 21 CO 0.27 -1.83 -0.02 0.14 -0.56 0.00 0.00 175.26 173.26 3cmd s VAL 22 N -1.64 4.08 0.70 3.70 -7.23 -1.26 -4.78 120.40 113.97 3cmd s VAL 22 Ca 0.80 -0.35 -0.11 0.00 -1.81 0.00 0.00 61.98 60.50 3cmd s VAL 22 Cb -0.35 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 33.90 3cmd s VAL 22 CO 0.44 0.59 1.09 -0.94 -0.31 0.00 0.00 175.10 175.97 3cmd s SER 23 N -0.89 5.49 0.10 4.85 1.04 -1.26 -4.91 113.70 118.12 3cmd s SER 23 Ca 0.13 1.13 0.07 0.00 0.48 0.00 0.00 55.95 57.76 3cmd s SER 23 Cb -0.11 -1.95 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 3cmd s SER 23 CO 0.02 -1.31 -0.19 -0.76 0.98 0.00 0.00 173.24 171.99 3cmd s LEU 24 N -5.34 2.30 0.67 2.42 1.43 -1.26 -3.82 118.68 115.08 3cmd s LEU 24 Ca 0.58 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.84 3cmd s LEU 24 Cb -0.11 -0.76 0.01 0.00 0.03 0.00 0.00 46.19 45.36 3cmd s LEU 24 CO 0.52 0.01 1.19 -2.16 0.23 0.00 0.00 176.35 176.13 3cmd s PRO 25 N -1.93 2.53 0.35 1.29 0.04 -1.26 -5.09 135.00 130.93 3cmd s PRO 25 Ca 0.04 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 3cmd s PRO 25 Cb -0.10 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3cmd s PRO 25 CO 0.04 -1.53 1.50 1.28 0.04 0.00 0.00 177.00 178.33 3cmd n LEU 26 N -2.29 4.58 -4.78 -3.56 4.77 -1.25 -5.01 117.00 109.46 3cmd n LEU 26 Ca 0.13 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 57.02 3cmd n LEU 26 Cb 0.50 -1.60 0.17 0.00 -2.33 0.00 0.00 43.42 40.16 3cmd n LEU 26 CO 0.47 0.10 0.73 -0.94 -1.33 0.00 0.00 177.39 176.42 3cmd s SER 27 N 0.00 2.90 0.17 -1.43 1.04 -1.26 -4.90 113.70 110.23 3cmd s SER 27 Ca 0.56 0.73 0.14 0.00 0.48 0.00 0.00 55.95 57.86 3cmd s SER 27 Cb -0.49 -1.11 -0.06 0.00 0.10 0.00 0.00 66.02 64.46 3cmd s SER 27 CO 0.60 -2.90 1.21 -0.08 0.98 0.00 0.00 173.24 173.05 3cmd h GLU 28 N -1.75 0.00 0.01 4.02 4.22 -1.99 -2.33 114.58 116.77 3cmd h GLU 28 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 3cmd h GLU 28 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3cmd h GLU 28 CO 0.51 0.55 -0.03 1.49 -2.18 0.00 0.00 179.01 179.35 3cmd h GLU 29 N 0.00 -0.05 -0.25 1.92 4.81 -1.99 -2.83 114.58 116.19 3cmd h GLU 29 Ca -0.06 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3cmd h GLU 29 Cb 1.55 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.93 3cmd h GLU 29 CO 0.07 -0.03 0.21 -0.44 -0.73 0.00 0.00 179.01 178.09 3cmd h ASP 30 N -0.05 0.00 0.57 1.04 3.32 -1.91 0.19 116.42 119.58 3cmd h ASP 30 Ca -0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 3cmd h ASP 30 Cb 0.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.60 3cmd h ASP 30 CO -0.01 0.00 -1.20 0.40 -1.72 0.00 0.00 179.24 176.71 3cmd h ILE 31 N 0.00 1.48 -0.27 0.35 2.04 -1.52 -2.82 117.51 116.77 3cmd h ILE 31 Ca 0.12 -2.94 -0.18 0.00 1.00 0.00 0.00 64.86 62.86 3cmd h ILE 31 Cb 0.54 2.86 -0.00 0.00 -0.74 0.00 0.00 36.82 39.47 3cmd h ILE 31 CO -0.00 0.86 -0.53 0.28 0.00 0.00 0.00 178.15 178.76 3cmd h SER 32 N 0.10 0.88 -0.32 1.72 0.02 -0.42 -2.52 113.55 113.02 3cmd h SER 32 Ca -0.13 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3cmd h SER 32 Cb 1.91 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 64.18 3cmd h SER 32 CO 0.20 1.24 0.19 0.25 -1.14 0.00 0.00 176.83 177.57 3cmd h LEU 33 N 0.61 0.38 0.11 5.07 5.85 -1.23 -0.61 115.31 125.50 3cmd h LEU 33 Ca 0.02 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3cmd h LEU 33 Cb 1.12 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3cmd h LEU 33 CO 0.11 0.32 -0.23 1.23 -0.34 0.00 0.00 178.44 179.54 3cmd h GLY 34 N 0.41 -0.42 2.00 3.75 0.00 -1.38 0.16 103.07 107.59 3cmd h GLY 34 Ca 0.11 0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 3cmd h GLY 34 CO -0.02 -0.20 -0.15 0.07 0.00 0.00 0.00 176.54 176.23 3cmd h LYS 35 N -0.42 0.00 -0.26 4.80 2.10 -1.37 -1.27 116.57 120.15 3cmd h LYS 35 Ca 0.03 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.50 3cmd h LYS 35 Cb 0.44 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 3cmd h LYS 35 CO -0.13 0.15 -0.53 1.49 -2.00 0.00 0.00 179.45 178.44 3cmd h GLU 36 N 0.00 0.76 -0.31 0.07 4.81 -0.15 0.01 114.58 119.76 3cmd h GLU 36 Ca -0.00 -0.47 -0.08 0.00 -0.13 0.00 0.00 59.36 58.68 3cmd h GLU 36 Cb 0.53 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3cmd h GLU 36 CO 0.02 1.10 -0.11 0.52 -0.73 0.00 0.00 179.01 179.80 3cmd h MET 37 N 0.59 0.63 -0.11 1.92 2.86 -0.01 -1.97 114.93 118.83 3cmd h MET 37 Ca 0.02 -0.26 -0.12 0.00 -2.06 0.00 0.00 59.70 57.28 3cmd h MET 37 Cb 1.11 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 3cmd h MET 37 CO 0.11 0.83 -0.47 1.25 1.06 0.00 0.00 176.91 179.70 3cmd h LEU 38 N 0.39 0.28 -0.46 1.22 7.12 -1.22 -2.64 115.31 120.00 3cmd h LEU 38 Ca 0.07 -0.13 -0.05 0.00 0.13 0.00 0.00 57.88 57.90 3cmd h LEU 38 Cb 0.62 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.66 3cmd h LEU 38 CO 0.04 0.71 0.09 -0.08 -0.13 0.00 0.00 178.44 179.07 3cmd h GLU 39 N 0.21 0.75 0.07 1.25 4.57 -0.86 -2.51 114.58 118.07 3cmd h GLU 39 Ca 0.01 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.01 3cmd h GLU 39 Cb 0.91 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 3cmd h GLU 39 CO 0.07 0.76 -0.10 0.35 -1.18 0.00 0.00 179.01 178.91 3cmd h PHE 40 N 0.62 -0.26 -0.42 0.92 3.57 -1.13 -0.09 116.94 120.15 3cmd h PHE 40 Ca 0.14 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.72 3cmd h PHE 40 Cb 0.36 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 3cmd h PHE 40 CO 0.02 -0.16 0.00 -0.07 -2.23 0.00 0.00 178.31 175.88 3cmd h LEU 41 N -0.21 -0.17 -0.02 0.59 3.38 -1.37 0.45 115.31 117.96 3cmd h LEU 41 Ca 0.01 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3cmd h LEU 41 Cb 0.22 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3cmd h LEU 41 CO -0.05 -0.05 -0.02 0.11 0.09 0.00 0.00 178.44 178.52 3cmd h LYS 42 N 0.11 -0.04 -0.37 1.13 1.57 -1.18 -2.42 116.57 115.37 3cmd h LYS 42 Ca 0.21 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.05 3cmd h LYS 42 Cb 0.30 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3cmd h LYS 42 CO -0.34 -0.02 0.06 -0.91 -0.57 0.00 0.00 179.45 177.67 3cmd h ASN 43 N -0.04 -0.01 -0.15 0.86 2.35 -0.07 -1.56 115.58 116.96 3cmd h ASN 43 Ca 0.02 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3cmd h ASN 43 Cb 0.06 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3cmd h ASN 43 CO -0.04 0.03 0.16 0.77 -1.65 0.00 0.00 177.43 176.70 3cmd h SER 44 N 0.18 0.00 0.58 5.81 4.64 0.21 -1.61 113.55 123.37 3cmd h SER 44 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3cmd h SER 44 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3cmd h SER 44 CO -0.24 0.00 -0.62 0.00 -0.87 0.00 0.00 176.83 175.10 3cmd n GLN 45 N -3.89 0.12 -3.20 4.77 6.02 -0.62 -4.05 117.38 116.53 3cmd n GLN 45 Ca 0.01 0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.62 3cmd n GLN 45 Cb 0.28 -1.56 -0.07 0.00 1.02 0.00 0.00 30.24 29.90 3cmd n GLN 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3cmd s ASP 46 N -3.47 6.44 0.12 1.08 2.15 -0.62 -4.97 116.67 117.39 3cmd s ASP 46 Ca 0.09 0.42 -0.25 0.00 0.43 0.00 0.00 52.55 53.23 3cmd s ASP 46 Cb 0.16 -2.29 -0.07 0.00 -0.30 0.00 0.00 42.92 40.42 3cmd s ASP 46 CO 0.72 -0.37 1.43 -0.65 -0.17 0.00 0.00 175.17 176.14 3cmd h PRO 47 N 8.13 -0.11 0.29 4.34 0.11 -1.87 1.14 132.00 144.01 3cmd h PRO 47 Ca -0.28 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3cmd h PRO 47 Cb 1.13 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3cmd h PRO 47 CO 0.75 -0.08 -0.31 0.82 -0.21 0.00 0.00 178.00 178.97 3cmd h ILE 48 N -0.12 0.35 -0.21 4.15 2.04 -1.94 0.96 117.51 122.74 3cmd h ILE 48 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 3cmd h ILE 48 Cb 0.38 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3cmd h ILE 48 CO -0.65 0.00 0.12 0.11 0.00 0.00 0.00 178.15 177.73 3cmd h LYS 49 N -0.64 0.29 -0.82 2.37 1.57 -1.70 0.22 116.57 117.86 3cmd h LYS 49 Ca -0.01 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3cmd h LYS 49 Cb 0.59 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.77 3cmd h LYS 49 CO -0.08 0.27 0.48 0.00 -0.57 0.00 0.00 179.45 179.56 3cmd h ALA 50 N 1.01 1.15 0.17 3.86 0.00 0.15 0.13 119.26 125.73 3cmd h ALA 50 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3cmd h ALA 50 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3cmd h ALA 50 CO -0.01 0.15 -0.08 0.93 0.00 0.00 0.00 179.25 180.24 3cmd h GLU 51 N 0.84 -0.22 0.00 0.00 5.08 -0.35 -0.19 114.58 119.74 3cmd h GLU 51 Ca 0.38 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 3cmd h GLU 51 Cb 0.28 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3cmd h GLU 51 CO -0.22 0.17 -0.08 0.93 -1.00 0.00 0.00 179.01 178.82 3cmd h GLU 52 N -0.68 0.00 -0.03 2.33 4.39 -0.31 -2.16 114.58 118.12 3cmd h GLU 52 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3cmd h GLU 52 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3cmd h GLU 52 CO 0.04 0.08 -0.08 1.28 -1.16 0.00 0.00 179.01 179.16 3cmd n LEU 53 N -3.92 2.69 -3.35 1.33 4.77 0.44 -5.01 117.00 113.96 3cmd n LEU 53 Ca -0.02 -0.95 -0.11 0.00 -0.03 0.00 0.00 56.01 54.89 3cmd n LEU 53 Cb 0.17 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3cmd n LEU 53 CO 0.31 0.46 0.12 1.41 -1.33 0.00 0.00 177.39 178.35 3cmd n HIS 54 N 1.01 -2.58 -4.30 -1.77 8.25 -0.21 -4.89 115.22 110.72 3cmd n HIS 54 Ca 0.12 0.97 -0.23 0.00 -0.26 0.00 0.00 57.72 58.31 3cmd n HIS 54 Cb 0.54 -3.66 -0.12 0.00 1.12 0.00 0.00 29.99 27.87 3cmd n HIS 54 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3cmd s LEU 55 N -4.60 2.34 -0.07 2.41 1.43 -0.44 -4.64 118.68 115.11 3cmd s LEU 55 Ca 0.07 -0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 52.27 3cmd s LEU 55 Cb -0.02 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 3cmd s LEU 55 CO 0.80 0.04 0.43 -0.13 0.23 0.00 0.00 176.35 177.72 3cmd s ARG 56 N -2.18 4.16 0.46 1.70 0.52 -1.26 -4.82 118.95 117.54 3cmd s ARG 56 Ca 0.09 0.40 -0.24 0.00 -0.52 0.00 0.00 55.73 55.46 3cmd s ARG 56 Cb -0.09 -3.34 -0.07 0.00 0.52 0.00 0.00 34.95 31.97 3cmd s ARG 56 CO 0.05 0.39 1.33 0.20 0.02 0.00 0.00 175.30 177.29 3cmd s GLY 57 N -0.12 2.89 0.03 -3.53 0.00 -1.26 -4.81 107.32 100.53 3cmd s GLY 57 Ca 0.24 1.28 -0.20 0.00 0.00 0.00 0.00 44.72 46.03 3cmd s GLY 57 CO 0.11 1.83 0.45 -0.32 0.00 0.00 0.00 173.10 175.17 3cmd s GLY 58 N -0.83 -0.33 -0.00 0.20 0.00 -1.26 -4.95 107.32 100.15 3cmd s GLY 58 Ca 0.63 0.47 0.04 0.00 0.00 0.00 0.00 44.72 45.86 3cmd s GLY 58 CO 0.48 0.20 0.14 3.33 0.00 0.00 0.00 173.10 177.26 3cmd n VAL 59 N 0.60 0.00 -4.05 1.40 0.24 -1.26 -4.74 118.33 110.51 3cmd n VAL 59 Ca -0.19 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.34 61.75 3cmd n VAL 59 Cb 0.59 0.74 -0.11 0.00 -1.47 0.00 0.00 33.84 33.60 3cmd n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3cmd s GLY 60 N -1.88 0.43 -0.15 7.63 0.00 -1.26 0.48 107.32 112.58 3cmd s GLY 60 Ca 0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 44.72 43.58 3cmd s GLY 60 CO 0.18 -0.97 0.62 -2.27 0.00 0.00 0.00 173.10 170.65 3cmd s LEU 61 N -2.08 -0.37 -0.01 0.66 2.96 0.24 -4.97 118.68 115.10 3cmd s LEU 61 Ca -0.05 0.95 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 3cmd s LEU 61 Cb -0.03 2.21 -0.01 0.00 0.50 0.00 0.00 46.19 48.86 3cmd s LEU 61 CO -0.04 -0.39 -0.18 0.00 -1.32 0.00 0.00 176.35 174.43 3cmd s ALA 62 N -0.40 1.47 0.36 5.97 0.00 -1.26 -0.39 121.76 127.51 3cmd s ALA 62 Ca -0.05 -0.77 0.18 0.00 0.00 0.00 0.00 51.96 51.31 3cmd s ALA 62 Cb -0.03 -0.37 1.18 0.00 0.00 0.00 0.00 23.12 23.90 3cmd s ALA 62 CO 0.05 0.36 1.65 0.00 0.00 0.00 0.00 175.76 177.81 3cmd h ALA 63 N 5.67 2.09 -0.67 0.00 0.00 -1.19 0.20 119.26 125.36 3cmd h ALA 63 Ca -0.37 0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.86 3cmd h ALA 63 Cb 1.15 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3cmd h ALA 63 CO 0.48 -0.73 0.45 -1.35 0.00 0.00 0.00 179.25 178.10 3cmd h PRO 64 N 0.24 0.37 0.00 0.00 0.11 -1.48 0.11 132.00 131.36 3cmd h PRO 64 Ca 0.76 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.85 3cmd h PRO 64 Cb 1.88 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.90 3cmd h PRO 64 CO -0.61 0.25 0.00 1.96 -0.21 0.00 0.00 178.00 179.39 3cmd h GLN 65 N 0.38 0.00 -0.65 1.05 4.20 -0.86 0.15 115.11 119.39 3cmd h GLN 65 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3cmd h GLN 65 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3cmd h GLN 65 CO -0.09 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.35 3cmd n LEU 66 N -2.96 4.97 -0.60 1.46 4.77 0.32 -0.47 117.00 124.49 3cmd n LEU 66 Ca -0.01 -2.51 -0.08 0.00 -0.03 0.00 0.00 56.01 53.38 3cmd n LEU 66 Cb 0.21 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3cmd n LEU 66 CO 0.23 0.76 -0.08 -0.67 -1.33 0.00 0.00 177.39 176.31 3cmd n ASP 67 N 1.02 -4.58 -4.38 -1.43 2.03 0.04 -4.92 116.55 104.33 3cmd n ASP 67 Ca 0.26 0.20 -0.37 0.00 0.52 0.00 0.00 54.79 55.40 3cmd n ASP 67 Cb 0.96 -2.77 -0.13 0.00 -0.72 0.00 0.00 41.12 38.46 3cmd n ASP 67 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3cmd s ILE 68 N -2.08 4.05 -1.32 5.18 1.01 -0.77 -4.97 121.20 122.29 3cmd s ILE 68 Ca 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 3cmd s ILE 68 Cb 0.00 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.47 3cmd s ILE 68 CO 0.00 0.19 2.74 -0.24 0.00 0.00 0.00 174.94 177.62 3cmd n SER 69 N 4.88 8.10 -4.34 3.58 2.88 -1.26 -1.52 113.62 125.93 3cmd n SER 69 Ca -0.15 -2.86 -0.29 0.00 -1.33 0.00 0.00 58.87 54.23 3cmd n SER 69 Cb 0.49 -1.44 -0.14 0.00 -0.75 0.00 0.00 64.21 62.37 3cmd n SER 69 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3cmd s LYS 70 N 0.35 1.66 -1.27 -1.46 1.02 -1.26 0.06 119.74 118.85 3cmd s LYS 70 Ca 0.62 -1.14 -0.19 0.00 0.02 0.00 0.00 55.97 55.27 3cmd s LYS 70 Cb 0.20 -1.90 0.02 0.00 -0.52 0.00 0.00 37.83 35.64 3cmd s LYS 70 CO -0.08 0.48 1.81 0.54 -0.92 0.00 0.00 175.35 177.18 3cmd n ARG 71 N 1.59 2.71 -3.74 1.68 1.74 0.07 -4.40 116.66 116.30 3cmd n ARG 71 Ca -0.17 -3.02 -0.19 0.00 -0.77 0.00 0.00 57.85 53.70 3cmd n ARG 71 Cb 0.52 -3.56 -0.17 0.00 -1.02 0.00 0.00 32.46 28.23 3cmd n ARG 71 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3cmd s ILE 72 N 6.26 0.03 0.17 0.55 1.01 -1.26 -0.97 121.20 126.98 3cmd s ILE 72 Ca 0.58 0.29 0.08 0.00 0.00 0.00 0.00 60.65 61.60 3cmd s ILE 72 Cb 0.03 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 3cmd s ILE 72 CO 0.09 0.18 -0.17 0.27 0.00 0.00 0.00 174.94 175.31 3cmd s ILE 73 N 1.81 1.74 -0.01 2.92 -4.36 -0.74 -0.83 121.20 121.73 3cmd s ILE 73 Ca 0.01 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 58.47 3cmd s ILE 73 Cb -0.12 -1.84 0.00 0.00 1.25 0.00 0.00 42.46 41.75 3cmd s ILE 73 CO -0.03 -0.38 -0.04 0.00 0.24 0.00 0.00 174.94 174.73 3cmd s ALA 74 N -2.22 0.42 -0.01 2.27 0.00 0.48 0.27 121.76 122.97 3cmd s ALA 74 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.00 3cmd s ALA 74 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3cmd s ALA 74 CO 0.06 0.06 -0.03 0.14 0.00 0.00 0.00 175.76 175.99 3cmd s VAL 75 N 0.18 0.26 -0.37 0.00 -7.23 -0.53 -0.59 120.40 112.11 3cmd s VAL 75 Ca -0.02 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 3cmd s VAL 75 Cb -0.05 -0.24 0.14 0.00 0.56 0.00 0.00 36.38 36.79 3cmd s VAL 75 CO -0.00 0.08 0.21 -2.28 -0.31 0.00 0.00 175.10 172.80 3cmd s HIS 76 N 0.03 1.01 -0.40 2.82 2.46 0.18 -1.57 115.29 119.81 3cmd s HIS 76 Ca 0.00 -1.77 -0.15 0.00 0.47 0.00 0.00 55.06 53.61 3cmd s HIS 76 Cb -0.03 -1.15 0.01 0.00 -0.13 0.00 0.00 32.58 31.29 3cmd s HIS 76 CO -0.00 -0.82 0.33 0.08 -2.47 0.00 0.00 174.74 171.86 3cmd s VAL 77 N 0.97 5.22 0.00 0.89 1.01 0.53 -4.63 120.40 124.39 3cmd s VAL 77 Ca 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3cmd s VAL 77 Cb -0.23 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3cmd s VAL 77 CO -0.02 -0.27 0.00 -0.81 0.00 0.00 0.00 175.10 174.00 3cmd n PRO 78 N 5.27 -0.55 -0.77 2.72 -0.04 -1.26 -3.21 135.00 137.17 3cmd n PRO 78 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 3cmd n PRO 78 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 3cmd n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3cmd n SER 79 N -2.69 -0.21 0.00 3.54 2.88 -1.26 -4.87 113.62 111.01 3cmd n SER 79 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3cmd n SER 79 Cb 0.00 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 3cmd n SER 79 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3cmd n SER 88 N -0.02 0.00 -3.58 -3.46 3.41 -1.22 -5.29 113.62 103.45 3cmd n SER 88 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 3cmd n SER 88 Cb 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.81 3cmd n SER 88 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3cmd s LEU 89 N 0.00 0.05 -0.23 1.04 2.96 -1.20 -5.04 118.68 116.26 3cmd s LEU 89 Ca 0.00 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 3cmd s LEU 89 Cb 0.00 0.14 0.10 0.00 0.50 0.00 0.00 46.19 46.93 3cmd s LEU 89 CO 0.00 -0.31 0.21 -0.55 -1.32 0.00 0.00 176.35 174.38 3cmd s SER 90 N 2.25 1.83 0.03 3.68 0.15 -1.26 -0.35 113.70 120.05 3cmd s SER 90 Ca 0.04 -0.52 -0.29 0.00 0.70 0.00 0.00 55.95 55.89 3cmd s SER 90 Cb -0.15 0.24 0.10 0.00 -1.71 0.00 0.00 66.02 64.51 3cmd s SER 90 CO -0.09 -0.36 1.17 0.28 1.20 0.00 0.00 173.24 175.45 3cmd s THR 91 N 2.28 0.00 -0.08 6.45 -1.32 -0.61 -5.02 115.64 117.35 3cmd s THR 91 Ca 0.07 -0.36 -0.00 0.00 -1.21 0.00 0.00 61.69 60.19 3cmd s THR 91 Cb -0.15 -1.96 -0.03 0.00 -1.51 0.00 0.00 72.50 68.85 3cmd s THR 91 CO -0.20 0.00 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.47 3cmd s VAL 92 N -2.71 3.85 -0.18 5.08 1.01 -1.26 -1.46 120.40 124.73 3cmd s VAL 92 Ca 0.13 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3cmd s VAL 92 Cb 0.03 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3cmd s VAL 92 CO -0.02 0.59 -0.15 -0.04 0.00 0.00 0.00 175.10 175.49 3cmd s MET 93 N -0.76 2.47 -0.17 2.72 -1.94 0.14 -4.58 119.30 117.19 3cmd s MET 93 Ca 0.12 -0.80 -0.14 0.00 -1.71 0.00 0.00 55.69 53.15 3cmd s MET 93 Cb -0.11 -2.43 -0.05 0.00 2.01 0.00 0.00 34.83 34.26 3cmd s MET 93 CO 0.02 -0.31 0.30 0.71 -0.01 0.00 0.00 175.02 175.73 3cmd s TYR 94 N 1.36 3.45 -1.31 -0.03 1.51 0.05 -1.80 117.35 120.58 3cmd s TYR 94 Ca 0.02 0.58 -0.02 0.00 -1.01 0.00 0.00 57.07 56.64 3cmd s TYR 94 Cb -0.14 -2.36 0.01 0.00 -0.11 0.00 0.00 41.96 39.36 3cmd s TYR 94 CO -0.10 0.21 0.85 0.09 -1.11 0.00 0.00 175.55 175.48 3cmd n ASN 95 N 3.68 -2.20 -4.76 2.29 3.02 -0.15 -1.56 115.26 115.59 3cmd n ASN 95 Ca -0.12 -0.74 -0.38 0.00 -0.03 0.00 0.00 54.58 53.31 3cmd n ASN 95 Cb 0.52 -4.39 0.01 0.00 -0.61 0.00 0.00 39.78 35.31 3cmd n ASN 95 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3cmd s PRO 96 N -5.92 3.56 -0.13 3.52 0.04 -1.26 -4.59 135.00 130.21 3cmd s PRO 96 Ca 0.12 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.13 3cmd s PRO 96 Cb -0.06 -2.42 0.06 0.00 0.04 0.00 0.00 34.50 32.12 3cmd s PRO 96 CO 0.79 -0.79 0.30 0.21 0.04 0.00 0.00 177.00 177.55 3cmd s LYS 97 N -2.69 0.25 -0.23 4.56 2.20 -0.55 -5.00 119.74 118.28 3cmd s LYS 97 Ca 0.65 0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 56.65 3cmd s LYS 97 Cb -0.35 -0.05 0.00 0.00 -1.51 0.00 0.00 37.83 35.93 3cmd s LYS 97 CO 0.43 -0.19 1.13 0.42 -0.36 0.00 0.00 175.35 176.77 3cmd s ILE 98 N 1.62 4.50 -0.07 5.43 1.01 -1.26 -1.84 121.20 130.60 3cmd s ILE 98 Ca -0.07 1.79 0.11 0.00 0.00 0.00 0.00 60.65 62.48 3cmd s ILE 98 Cb -0.10 -4.23 -0.24 0.00 0.01 0.00 0.00 42.46 37.90 3cmd s ILE 98 CO -0.10 -0.24 0.57 0.18 0.00 0.00 0.00 174.94 175.35 3cmd n LEU 99 N 6.60 1.04 -3.48 2.97 4.77 0.11 -5.00 117.00 124.01 3cmd n LEU 99 Ca 0.13 0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 56.35 3cmd n LEU 99 Cb 0.46 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3cmd n LEU 99 CO 0.55 0.46 0.33 -0.55 -1.33 0.00 0.00 177.39 176.85 3cmd s SER 100 N -6.16 -0.48 0.07 -1.43 0.15 -1.20 -4.97 113.70 99.68 3cmd s SER 100 Ca -0.07 -0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.39 3cmd s SER 100 Cb 0.08 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 64.96 3cmd s SER 100 CO 0.82 -0.93 0.24 -1.38 1.20 0.00 0.00 173.24 173.18 3cmd s HIS 101 N -3.74 0.04 0.81 3.44 -3.43 -1.26 -0.02 115.29 111.13 3cmd s HIS 101 Ca 0.01 -0.36 -0.12 0.00 -0.80 0.00 0.00 55.06 53.79 3cmd s HIS 101 Cb -0.00 0.01 0.08 0.00 -1.43 0.00 0.00 32.58 31.24 3cmd s HIS 101 CO -0.13 -0.53 1.12 -1.54 -2.00 0.00 0.00 174.74 171.66 3cmd s SER 102 N -2.55 4.43 -0.01 7.38 1.04 0.12 -4.95 113.70 119.15 3cmd s SER 102 Ca 0.01 1.13 -0.20 0.00 0.48 0.00 0.00 55.95 57.37 3cmd s SER 102 Cb 0.02 -1.81 -0.29 0.00 0.10 0.00 0.00 66.02 64.04 3cmd s SER 102 CO -0.08 -1.99 0.99 0.58 0.98 0.00 0.00 173.24 173.72 3cmd h VAL 103 N -1.11 1.44 -2.72 5.02 2.07 -2.01 -3.43 116.25 115.51 3cmd h VAL 103 Ca -0.47 -2.41 -0.56 0.00 0.82 0.00 0.00 66.70 64.08 3cmd h VAL 103 Cb 1.29 2.95 0.07 0.00 -1.52 0.00 0.00 31.29 34.08 3cmd h VAL 103 CO 0.62 0.70 0.78 1.67 0.02 0.00 0.00 177.57 181.35 3cmd n GLN 104 N -4.07 2.32 -3.66 1.57 -0.06 -1.26 -4.88 117.38 107.34 3cmd n GLN 104 Ca -0.13 0.83 -0.21 0.00 -2.00 0.00 0.00 57.00 55.49 3cmd n GLN 104 Cb 0.82 -2.57 -0.03 0.00 -4.06 0.00 0.00 30.24 24.41 3cmd n GLN 104 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3cmd s ASP 105 N 0.61 5.26 0.23 1.69 1.01 -1.26 -0.06 116.67 124.14 3cmd s ASP 105 Ca 0.71 -0.57 -0.19 0.00 0.71 0.00 0.00 52.55 53.21 3cmd s ASP 105 Cb -0.60 -0.82 0.03 0.00 1.01 0.00 0.00 42.92 42.53 3cmd s ASP 105 CO 0.44 -0.49 0.61 0.00 0.21 0.00 0.00 175.17 175.95 3cmd s ALA 106 N -2.36 -1.06 0.20 5.23 0.00 0.68 -1.58 121.76 122.87 3cmd s ALA 106 Ca 0.45 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.95 3cmd s ALA 106 Cb -0.05 0.89 0.04 0.00 0.00 0.00 0.00 23.12 24.00 3cmd s ALA 106 CO 0.28 -0.91 0.60 0.00 0.00 0.00 0.00 175.76 175.73 3cmd s LEU 108 N -2.83 4.17 0.19 0.00 1.43 -1.26 0.06 118.68 120.43 3cmd s LEU 108 Ca 0.06 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 3cmd s LEU 108 Cb -0.02 -2.89 0.20 0.00 0.03 0.00 0.00 46.19 43.50 3cmd s LEU 108 CO -0.05 -0.59 1.73 1.23 0.23 0.00 0.00 176.35 178.90 3cmd h GLY 109 N 9.39 0.65 1.07 -3.19 0.00 -0.87 -1.48 103.07 108.64 3cmd h GLY 109 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3cmd h GLY 109 CO 0.85 -0.04 0.00 1.18 0.00 0.00 0.00 176.54 178.52 3cmd n GLU 110 N -5.07 0.73 0.00 4.80 1.02 -1.26 -4.98 120.64 115.87 3cmd n GLU 110 Ca 0.06 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3cmd n GLU 110 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3cmd n GLU 110 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cmd n GLY 111 N 0.59 -0.17 3.80 0.62 0.00 -0.56 -5.01 105.19 104.47 3cmd n GLY 111 Ca 0.18 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 3cmd n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cmd s GLU 112 N -4.51 4.28 0.35 1.61 2.02 -1.26 -4.95 118.70 116.23 3cmd s GLU 112 Ca 0.00 1.24 0.07 0.00 0.02 0.00 0.00 54.97 56.30 3cmd s GLU 112 Cb 0.00 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 3cmd s GLU 112 CO 0.00 0.01 0.41 0.20 0.02 0.00 0.00 175.26 175.90 3cmd s GLY 113 N -1.95 1.72 -0.30 -1.39 0.00 -1.26 -5.02 107.32 99.12 3cmd s GLY 113 Ca 0.59 -1.57 -0.04 0.00 0.00 0.00 0.00 44.72 43.69 3cmd s GLY 113 CO 0.18 -1.47 0.75 0.00 0.00 0.00 0.00 173.10 172.56 3cmd h LEU 115 N 7.97 0.00 0.00 0.00 4.07 -1.93 0.91 115.31 126.34 3cmd h LEU 115 Ca -0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3cmd h LEU 115 Cb 1.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.91 3cmd h LEU 115 CO 0.13 0.00 -0.22 0.28 -1.08 0.00 0.00 178.44 177.55 3cmd h SER 116 N 0.00 0.00 -3.55 -0.43 0.02 -1.93 -3.45 113.55 104.22 3cmd h SER 116 Ca 0.25 -0.03 -0.62 0.00 -0.84 0.00 0.00 61.79 60.55 3cmd h SER 116 Cb 1.31 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.69 3cmd h SER 116 CO -0.00 0.01 -0.53 -0.69 -1.14 0.00 0.00 176.83 174.48 3cmd s VAL 117 N -3.19 5.11 -1.12 2.27 1.01 0.31 -0.76 120.40 124.04 3cmd s VAL 117 Ca 0.07 0.09 0.18 0.00 0.00 0.00 0.00 61.98 62.33 3cmd s VAL 117 Cb 0.09 -3.37 -0.14 0.00 0.00 0.00 0.00 36.38 32.95 3cmd s VAL 117 CO 0.67 0.36 0.83 0.47 0.00 0.00 0.00 175.10 177.43 3cmd n ASP 118 N 4.26 1.14 -4.94 3.32 8.00 -1.26 -4.75 116.55 122.32 3cmd n ASP 118 Ca -0.15 -1.07 -0.24 0.00 0.71 0.00 0.00 54.79 54.04 3cmd n ASP 118 Cb 0.52 0.85 -0.01 0.00 -0.02 0.00 0.00 41.12 42.46 3cmd n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cmd s ARG 119 N -2.55 3.48 -0.19 -1.24 1.70 -1.26 -5.07 118.95 113.81 3cmd s ARG 119 Ca 0.09 -0.30 -0.11 0.00 -0.47 0.00 0.00 55.73 54.94 3cmd s ARG 119 Cb 0.14 -2.64 -0.05 0.00 -0.57 0.00 0.00 34.95 31.84 3cmd s ARG 119 CO 0.67 0.11 0.19 -2.00 -1.08 0.00 0.00 175.30 173.19 3cmd s GLU 120 N -4.36 4.21 -0.29 3.89 -6.30 -1.26 -5.06 118.70 109.53 3cmd s GLU 120 Ca 0.41 -0.11 0.02 0.00 -2.50 0.00 0.00 54.97 52.79 3cmd s GLU 120 Cb -0.10 -3.43 0.07 0.00 0.00 0.00 0.00 34.13 30.67 3cmd s GLU 120 CO 0.37 0.26 -0.04 0.08 0.02 0.00 0.00 175.26 175.95 3cmd s VAL 121 N 0.45 2.40 0.61 3.70 1.01 -1.26 -5.11 120.40 122.20 3cmd s VAL 121 Ca 0.11 -1.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.15 3cmd s VAL 121 Cb -0.12 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3cmd s VAL 121 CO 0.00 -0.20 1.11 -2.16 0.00 0.00 0.00 175.10 173.85 3cmd s PRO 122 N 1.08 3.06 0.00 2.72 0.04 -1.26 -4.95 135.00 135.70 3cmd s PRO 122 Ca -0.03 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.46 3cmd s PRO 122 Cb -0.20 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3cmd s PRO 122 CO -0.05 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.35 3cmd n GLY 123 N -0.31 0.96 3.48 0.56 0.00 -1.26 -4.84 105.19 103.77 3cmd n GLY 123 Ca 0.11 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 3cmd n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cmd s TYR 124 N -1.01 2.50 -0.33 1.61 4.12 0.10 -4.66 117.35 119.68 3cmd s TYR 124 Ca 0.00 -0.28 0.03 0.00 0.02 0.00 0.00 57.07 56.84 3cmd s TYR 124 Cb 0.00 -1.32 0.09 0.00 -1.52 0.00 0.00 41.96 39.21 3cmd s TYR 124 CO 0.00 0.39 0.03 0.08 0.02 0.00 0.00 175.55 176.07 3cmd s VAL 125 N -1.17 2.41 0.05 0.71 1.01 -1.26 -4.60 120.40 117.54 3cmd s VAL 125 Ca 0.18 -2.13 -0.31 0.00 0.00 0.00 0.00 61.98 59.72 3cmd s VAL 125 Cb -0.10 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 3cmd s VAL 125 CO 0.10 -0.47 1.31 -0.69 0.00 0.00 0.00 175.10 175.34 3cmd s VAL 126 N 0.98 3.76 0.35 2.92 1.01 -1.26 -4.52 120.40 123.64 3cmd s VAL 126 Ca 0.06 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.30 3cmd s VAL 126 Cb -0.20 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3cmd s VAL 126 CO -0.07 0.06 0.10 -0.13 0.00 0.00 0.00 175.10 175.07 3cmd s ARG 127 N 1.55 1.74 0.15 2.72 1.81 0.40 -4.96 118.95 122.36 3cmd s ARG 127 Ca 0.61 -2.01 -0.30 0.00 -1.72 0.00 0.00 55.73 52.32 3cmd s ARG 127 Cb -0.32 -0.60 -0.07 0.00 -0.45 0.00 0.00 34.95 33.52 3cmd s ARG 127 CO 0.28 -0.35 0.97 -1.01 -0.68 0.00 0.00 175.30 174.50 3cmd s HIS 128 N -3.35 3.84 0.15 -0.53 3.76 -1.26 -0.23 115.29 117.67 3cmd s HIS 128 Ca 0.31 1.81 -0.15 0.00 -0.15 0.00 0.00 55.06 56.88 3cmd s HIS 128 Cb 0.06 -3.06 0.03 0.00 1.11 0.00 0.00 32.58 30.72 3cmd s HIS 128 CO 0.15 0.20 1.78 0.00 -0.85 0.00 0.00 174.74 176.01 3cmd h ALA 129 N 5.15 0.58 -2.93 -1.40 0.00 -0.71 -3.42 119.26 116.53 3cmd h ALA 129 Ca -0.44 -0.07 -0.41 0.00 0.00 0.00 0.00 54.91 54.00 3cmd h ALA 129 Cb 1.21 -0.18 -0.19 0.00 0.00 0.00 0.00 17.79 18.63 3cmd h ALA 129 CO 0.71 0.08 -0.76 0.15 0.00 0.00 0.00 179.25 179.43 3cmd s LYS 130 N -5.93 0.99 0.07 0.00 1.02 -1.26 -1.65 119.74 112.97 3cmd s LYS 130 Ca -0.13 -1.21 -0.12 0.00 0.02 0.00 0.00 55.97 54.53 3cmd s LYS 130 Cb 0.11 -0.87 0.02 0.00 -0.52 0.00 0.00 37.83 36.57 3cmd s LYS 130 CO 0.74 0.17 0.28 0.96 -0.92 0.00 0.00 175.35 176.58 3cmd s ILE 131 N -2.09 0.10 -0.16 2.17 -4.36 -0.52 -0.70 121.20 115.64 3cmd s ILE 131 Ca 0.08 -0.82 0.00 0.00 -0.26 0.00 0.00 60.65 59.65 3cmd s ILE 131 Cb -0.05 -1.10 0.00 0.00 1.25 0.00 0.00 42.46 42.56 3cmd s ILE 131 CO 0.03 -0.45 -0.16 -0.89 0.24 0.00 0.00 174.94 173.70 3cmd s THR 132 N -3.19 2.53 -0.00 8.37 2.01 0.97 -0.99 115.64 125.33 3cmd s THR 132 Ca -0.00 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.25 3cmd s THR 132 Cb 0.01 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 3cmd s THR 132 CO -0.07 0.52 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.48 3cmd s VAL 133 N 0.94 1.59 0.18 3.82 1.01 -0.20 0.06 120.40 127.80 3cmd s VAL 133 Ca -0.03 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.13 3cmd s VAL 133 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3cmd s VAL 133 CO -0.03 0.40 -0.15 -0.94 0.00 0.00 0.00 175.10 174.39 3cmd s SER 134 N -0.59 3.95 -0.03 3.32 1.04 -0.76 -0.95 113.70 119.67 3cmd s SER 134 Ca 0.08 -0.68 -0.30 0.00 0.48 0.00 0.00 55.95 55.52 3cmd s SER 134 Cb -0.08 -0.55 0.11 0.00 0.10 0.00 0.00 66.02 65.61 3cmd s SER 134 CO -0.00 0.11 1.32 -0.72 0.98 0.00 0.00 173.24 174.92 3cmd s TYR 135 N -1.68 -0.00 0.04 5.02 -0.85 -0.62 -1.49 117.35 117.77 3cmd s TYR 135 Ca 0.23 -0.08 0.06 0.00 -0.52 0.00 0.00 57.07 56.76 3cmd s TYR 135 Cb -0.08 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 3cmd s TYR 135 CO 0.13 -0.22 -0.16 0.71 -1.52 0.00 0.00 175.55 174.50 3cmd s TYR 136 N -2.16 2.62 0.62 -3.49 1.51 -0.60 -0.10 117.35 115.75 3cmd s TYR 136 Ca 0.22 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 3cmd s TYR 136 Cb 0.03 -1.48 0.11 0.00 -0.11 0.00 0.00 41.96 40.51 3cmd s TYR 136 CO -0.03 0.28 0.85 -0.40 -1.11 0.00 0.00 175.55 175.15 3cmd n ASP 137 N 1.50 1.61 0.22 2.29 5.68 -0.51 -0.77 116.55 126.58 3cmd n ASP 137 Ca -0.16 -2.25 0.16 0.00 -0.50 0.00 0.00 54.79 52.04 3cmd n ASP 137 Cb 0.52 -0.51 0.83 0.00 -1.14 0.00 0.00 41.12 40.83 3cmd n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3cmd h MET 138 N 0.00 0.00 0.00 0.11 2.86 -1.90 0.21 114.93 116.21 3cmd h MET 138 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3cmd h MET 138 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3cmd h MET 138 CO 0.35 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.41 3cmd n ASN 139 N -3.88 0.14 0.00 1.22 3.02 -1.26 -4.86 115.26 109.63 3cmd n ASN 139 Ca 0.00 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 3cmd n ASN 139 Cb 0.26 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3cmd n ASN 139 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cmd n GLY 140 N 0.80 0.73 3.71 7.41 0.00 0.74 -5.00 105.19 113.57 3cmd n GLY 140 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3cmd n GLY 140 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cmd s GLU 141 N -0.13 4.46 0.09 1.61 2.12 -1.26 -4.72 118.70 120.87 3cmd s GLU 141 Ca 0.00 1.61 -0.27 0.00 0.36 0.00 0.00 54.97 56.67 3cmd s GLU 141 Cb 0.00 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 30.90 3cmd s GLU 141 CO 0.00 -0.22 0.84 0.21 -0.54 0.00 0.00 175.26 175.55 3cmd s LYS 142 N 1.28 4.59 0.16 4.30 2.20 -1.26 -1.43 119.74 129.58 3cmd s LYS 142 Ca 0.55 1.22 0.07 0.00 -0.36 0.00 0.00 55.97 57.46 3cmd s LYS 142 Cb -0.25 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 3cmd s LYS 142 CO 0.27 0.31 -0.15 -1.01 -0.36 0.00 0.00 175.35 174.41 3cmd s HIS 143 N -0.22 1.62 -0.08 4.03 3.76 0.86 -4.97 115.29 120.28 3cmd s HIS 143 Ca 0.41 -0.55 -0.03 0.00 -0.15 0.00 0.00 55.06 54.74 3cmd s HIS 143 Cb -0.22 -0.80 0.04 0.00 1.11 0.00 0.00 32.58 32.71 3cmd s HIS 143 CO 0.26 0.27 0.06 0.21 -0.85 0.00 0.00 174.74 174.69 3cmd s LYS 144 N -3.12 0.04 0.03 1.40 2.20 -1.26 -1.59 119.74 117.44 3cmd s LYS 144 Ca 0.16 0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.98 3cmd s LYS 144 Cb -0.03 -0.97 -0.02 0.00 -1.51 0.00 0.00 37.83 35.30 3cmd s LYS 144 CO 0.05 -0.43 -0.05 0.96 -0.36 0.00 0.00 175.35 175.52 3cmd s ILE 145 N 2.14 0.30 -0.29 5.43 -4.36 -0.12 -4.97 121.20 119.32 3cmd s ILE 145 Ca 0.04 -1.03 -0.10 0.00 -0.26 0.00 0.00 60.65 59.30 3cmd s ILE 145 Cb -0.13 -0.47 -0.03 0.00 1.25 0.00 0.00 42.46 43.07 3cmd s ILE 145 CO -0.05 -0.47 0.17 -0.60 0.24 0.00 0.00 174.94 174.23 3cmd s ARG 146 N -1.63 3.72 0.07 0.37 3.52 -1.26 -1.04 118.95 122.70 3cmd s ARG 146 Ca -0.12 -0.47 0.05 0.00 -0.13 0.00 0.00 55.73 55.06 3cmd s ARG 146 Cb -0.09 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 3cmd s ARG 146 CO -0.01 -0.26 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.67 3cmd s LEU 147 N 1.70 3.32 0.11 -0.88 1.43 -0.16 -4.98 118.68 119.21 3cmd s LEU 147 Ca 0.06 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3cmd s LEU 147 Cb -0.16 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 3cmd s LEU 147 CO 0.09 0.20 0.05 -1.59 0.23 0.00 0.00 176.35 175.33 3cmd s LYS 148 N -2.09 0.87 4.35 1.70 -2.85 -1.26 -1.44 119.74 119.02 3cmd s LYS 148 Ca 0.23 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.83 3cmd s LYS 148 Cb -0.11 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 3cmd s LYS 148 CO 0.15 -0.24 0.00 0.09 0.10 0.00 0.00 175.35 175.45 3cmd n ASN 149 N -0.06 0.00 -0.14 0.03 5.03 -0.66 -2.57 115.26 116.90 3cmd n ASN 149 Ca -0.08 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.29 3cmd n ASN 149 Cb 0.63 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.36 3cmd n ASN 149 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3cmd h TYR 150 N 0.00 -1.14 -0.97 3.10 3.20 -1.99 0.71 116.97 119.89 3cmd h TYR 150 Ca 0.00 0.07 0.13 0.00 3.14 0.00 0.00 58.73 62.07 3cmd h TYR 150 Cb 0.00 0.56 -0.09 0.00 1.54 0.00 0.00 36.73 38.74 3cmd h TYR 150 CO 0.00 -0.42 0.59 0.93 -1.64 0.00 0.00 178.16 177.62 3cmd h GLU 151 N -0.29 0.87 -0.52 1.82 5.08 -1.95 0.14 114.58 119.74 3cmd h GLU 151 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3cmd h GLU 151 Cb 0.57 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3cmd h GLU 151 CO -0.59 0.57 0.34 1.03 -1.00 0.00 0.00 179.01 179.37 3cmd h SER 152 N 0.89 0.60 -0.43 1.42 0.87 -0.65 -1.99 113.55 114.27 3cmd h SER 152 Ca 0.50 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.95 3cmd h SER 152 Cb 0.56 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3cmd h SER 152 CO -0.29 0.44 -0.05 0.40 -0.53 0.00 0.00 176.83 176.80 3cmd h ILE 153 N 0.70 1.27 -0.70 2.23 2.04 0.50 -2.36 117.51 121.19 3cmd h ILE 153 Ca 0.19 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3cmd h ILE 153 Cb -0.07 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3cmd h ILE 153 CO -0.04 0.38 0.35 0.58 0.00 0.00 0.00 178.15 179.42 3cmd h VAL 154 N 0.62 1.23 -0.40 1.67 2.07 -0.62 -1.09 116.25 119.73 3cmd h VAL 154 Ca 0.12 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 3cmd h VAL 154 Cb 0.56 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3cmd h VAL 154 CO 0.03 0.26 -0.04 0.58 0.02 0.00 0.00 177.57 178.43 3cmd h VAL 155 N 0.97 1.27 -0.70 2.57 2.07 -1.30 -1.50 116.25 119.62 3cmd h VAL 155 Ca 0.24 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3cmd h VAL 155 Cb 0.10 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3cmd h VAL 155 CO -0.03 0.37 0.44 1.56 0.02 0.00 0.00 177.57 179.92 3cmd h GLN 156 N 0.56 0.94 -0.07 1.57 4.20 -1.23 0.14 115.11 121.22 3cmd h GLN 156 Ca 0.11 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 3cmd h GLN 156 Cb 0.53 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3cmd h GLN 156 CO 0.03 0.65 0.04 1.25 -0.67 0.00 0.00 178.83 180.13 3cmd h HIS 157 N 0.96 0.09 -0.43 2.96 2.76 -0.81 -1.14 115.15 119.53 3cmd h HIS 157 Ca 0.25 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.30 3cmd h HIS 157 Cb -0.06 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 3cmd h HIS 157 CO 0.00 0.11 -0.21 0.93 -1.30 0.00 0.00 177.93 177.46 3cmd h GLU 158 N 0.04 0.86 0.00 5.26 4.39 -0.63 -2.69 114.58 121.81 3cmd h GLU 158 Ca 0.02 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.29 3cmd h GLU 158 Cb 0.05 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3cmd h GLU 158 CO -0.00 0.99 -0.38 0.82 -1.16 0.00 0.00 179.01 179.28 3cmd h ILE 159 N 0.75 1.22 -0.33 3.13 2.04 -0.65 -1.35 117.51 122.32 3cmd h ILE 159 Ca 0.10 -1.31 -0.04 0.00 1.00 0.00 0.00 64.86 64.61 3cmd h ILE 159 Cb 0.75 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 3cmd h ILE 159 CO 0.06 0.37 0.01 0.44 0.00 0.00 0.00 178.15 179.03 3cmd h ASP 160 N 0.00 0.46 -0.88 1.72 3.32 -0.88 -2.67 116.42 117.49 3cmd h ASP 160 Ca -0.00 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3cmd h ASP 160 Cb 0.68 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3cmd h ASP 160 CO 0.05 0.52 0.46 0.45 -1.72 0.00 0.00 179.24 179.00 3cmd h HIS 161 N 0.48 1.24 -0.02 4.55 3.86 -1.06 0.28 115.15 124.48 3cmd h HIS 161 Ca 0.11 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3cmd h HIS 161 Cb 0.29 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.37 3cmd h HIS 161 CO 0.01 0.87 0.00 0.44 0.86 0.00 0.00 177.93 180.11 3cmd n ILE 162 N -4.32 0.02 -0.16 2.45 -5.35 -1.01 -2.33 119.36 108.66 3cmd n ILE 162 Ca 0.09 -0.03 0.01 0.00 -0.27 0.00 0.00 62.75 62.55 3cmd n ILE 162 Cb 0.12 -0.15 0.01 0.00 -1.74 0.00 0.00 39.64 37.87 3cmd n ILE 162 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3cmd n ASN 163 N -0.61 1.85 -0.70 7.28 3.02 -0.70 -1.31 115.26 124.09 3cmd n ASN 163 Ca 0.10 -1.99 -0.09 0.00 -0.03 0.00 0.00 54.58 52.57 3cmd n ASN 163 Cb 0.06 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 3cmd n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cmd n GLY 164 N -0.51 0.93 3.58 7.41 0.00 -0.67 -4.68 105.19 111.25 3cmd n GLY 164 Ca 0.01 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 3cmd n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cmd s VAL 165 N -2.33 4.51 -0.03 1.61 1.01 0.92 -4.53 120.40 121.56 3cmd s VAL 165 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3cmd s VAL 165 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3cmd s VAL 165 CO 0.00 0.46 0.14 -0.04 0.00 0.00 0.00 175.10 175.65 3cmd s MET 166 N 0.50 3.31 0.25 2.72 -1.94 -1.26 -3.38 119.30 119.49 3cmd s MET 166 Ca 0.01 -0.34 -0.04 0.00 -1.71 0.00 0.00 55.69 53.61 3cmd s MET 166 Cb -0.13 -3.03 0.48 0.00 2.01 0.00 0.00 34.83 34.16 3cmd s MET 166 CO 0.01 0.69 1.69 0.27 -0.01 0.00 0.00 175.02 177.67 3cmd h PHE 167 N 4.16 0.30 0.00 -0.03 -5.15 -1.97 0.73 116.94 114.98 3cmd h PHE 167 Ca -0.50 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 3cmd h PHE 167 Cb 1.19 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.35 3cmd h PHE 167 CO 0.68 -0.08 0.00 2.48 -2.00 0.00 0.00 178.31 179.38 3cmd n TYR 168 N -5.15 0.00 0.21 6.09 0.18 -1.26 -1.21 117.16 116.02 3cmd n TYR 168 Ca 0.15 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.98 3cmd n TYR 168 Cb 0.48 -0.48 0.45 0.00 -0.38 0.00 0.00 39.34 39.40 3cmd n TYR 168 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 3cmd h ASP 169 N 0.00 0.00 0.13 9.48 3.32 -1.25 -2.01 116.42 126.09 3cmd h ASP 169 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cmd h ASP 169 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3cmd h ASP 169 CO 0.00 0.30 -0.02 1.41 -1.72 0.00 0.00 179.24 179.21 3cmd n HIS 170 N -3.92 0.00 -3.98 4.55 8.25 -0.35 -4.79 115.22 114.99 3cmd n HIS 170 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 3cmd n HIS 170 Cb 0.37 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 31.30 3cmd n HIS 170 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3cmd s ILE 171 N -2.15 4.46 -0.82 1.59 1.01 -0.76 -4.70 121.20 119.83 3cmd s ILE 171 Ca 0.41 -0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.68 3cmd s ILE 171 Cb 0.21 -3.03 0.06 0.00 0.01 0.00 0.00 42.46 39.72 3cmd s ILE 171 CO 0.39 0.42 1.20 0.21 0.00 0.00 0.00 174.94 177.16 3cmd s ASN 172 N 0.86 6.32 0.35 3.58 3.04 -1.26 -4.87 114.94 122.96 3cmd s ASN 172 Ca 0.03 -1.11 0.12 0.00 0.04 0.00 0.00 52.86 51.94 3cmd s ASN 172 Cb -0.14 -2.49 0.67 0.00 -1.54 0.00 0.00 41.25 37.75 3cmd s ASN 172 CO 0.02 -1.52 1.26 -2.24 -3.04 0.00 0.00 177.10 171.59 3cmd h ASP 173 N 9.64 0.00 -0.00 -4.21 2.03 -1.92 1.13 116.42 123.08 3cmd h ASP 173 Ca -0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 3cmd h ASP 173 Cb 1.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 3cmd h ASP 173 CO 1.26 0.00 -0.63 0.00 -1.03 0.00 0.00 179.24 178.84 3cmd n GLN 174 N -2.07 1.54 -3.28 4.15 6.02 -1.26 -4.48 117.38 118.01 3cmd n GLN 174 Ca -0.01 -0.32 -0.25 0.00 -0.01 0.00 0.00 57.00 56.41 3cmd n GLN 174 Cb 0.38 -1.30 -0.08 0.00 1.02 0.00 0.00 30.24 30.26 3cmd n GLN 174 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3cmd n ASN 175 N -0.91 -0.07 0.10 1.08 2.85 0.38 -5.02 115.26 113.67 3cmd n ASN 175 Ca 0.05 -2.56 0.02 0.00 -0.11 0.00 0.00 54.58 51.97 3cmd n ASN 175 Cb 0.30 -0.60 0.36 0.00 1.24 0.00 0.00 39.78 41.08 3cmd n ASN 175 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3cmd h PRO 176 N 4.70 0.29 -0.28 1.20 0.11 -1.48 -3.12 132.00 133.43 3cmd h PRO 176 Ca 0.16 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.13 3cmd h PRO 176 Cb 0.89 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.92 3cmd h PRO 176 CO 0.43 0.42 -0.02 1.19 -0.21 0.00 0.00 178.00 179.81 3cmd n PHE 177 N -4.26 0.95 -2.26 0.65 3.72 -1.26 0.02 117.46 115.02 3cmd n PHE 177 Ca -0.00 -1.14 -0.41 0.00 -0.05 0.00 0.00 57.45 55.84 3cmd n PHE 177 Cb 0.28 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 3cmd n PHE 177 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3cmd s ALA 178 N -2.98 3.50 -0.06 4.37 0.00 -1.18 -4.93 121.76 120.48 3cmd s ALA 178 Ca 0.42 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 53.39 3cmd s ALA 178 Cb 0.36 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 20.03 3cmd s ALA 178 CO 0.05 -0.49 0.16 -0.51 0.00 0.00 0.00 175.76 174.97 3cmd s LEU 179 N -0.05 1.34 0.73 0.00 1.43 -1.26 -4.93 118.68 115.95 3cmd s LEU 179 Ca 0.56 0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 53.90 3cmd s LEU 179 Cb -0.35 0.56 0.06 0.00 0.03 0.00 0.00 46.19 46.48 3cmd s LEU 179 CO 0.37 -0.06 1.07 -0.54 0.23 0.00 0.00 176.35 177.42 3cmd s LYS 180 N 0.14 2.22 0.62 1.70 1.02 -1.26 -5.00 119.74 119.19 3cmd s LYS 180 Ca -0.00 -0.05 -0.18 0.00 0.02 0.00 0.00 55.97 55.75 3cmd s LYS 180 Cb -0.02 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 3cmd s LYS 180 CO -0.00 -1.31 0.96 0.39 -0.92 0.00 0.00 175.35 174.47 3cmd n GLU 181 N -3.04 0.83 0.00 1.68 1.02 -1.26 -3.44 120.64 116.43 3cmd n GLU 181 Ca 0.08 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3cmd n GLU 181 Cb 0.60 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 3cmd n GLU 181 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cmd n GLY 182 N 1.29 1.21 2.79 0.62 0.00 -1.26 -4.97 105.19 104.87 3cmd n GLY 182 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 3cmd n GLY 182 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3cmd n VAL 183 N 0.00 0.00 -2.85 1.61 3.14 -1.22 -4.81 118.33 114.21 3cmd n VAL 183 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 3cmd n VAL 183 Cb 0.00 -0.23 -0.04 0.00 -1.06 0.00 0.00 33.84 32.51 3cmd n VAL 183 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3cmd s LEU 184 N 1.40 4.11 -0.36 6.55 1.43 -0.61 -4.91 118.68 126.29 3cmd s LEU 184 Ca 0.76 1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 54.84 3cmd s LEU 184 Cb -1.08 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 3cmd s LEU 184 CO 0.55 -0.52 0.33 0.54 0.23 0.00 0.00 176.35 177.48 3cmd s VAL 185 N 2.75 5.20 -0.07 -1.59 0.11 -1.26 -1.38 120.40 124.17 3cmd s VAL 185 Ca 0.37 -0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 59.11 3cmd s VAL 185 Cb -0.16 -3.82 -0.05 0.00 -1.53 0.00 0.00 36.38 30.82 3cmd s VAL 185 CO 0.08 -0.12 0.54 -0.63 -3.33 0.00 0.00 175.10 171.64 3cmd s ILE 186 N 1.92 5.07 0.00 7.04 1.01 0.11 -4.79 121.20 131.56 3cmd s ILE 186 Ca 0.10 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.85 3cmd s ILE 186 Cb -0.17 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3cmd s ILE 186 CO 0.11 0.37 0.00 -1.84 0.00 0.00 0.00 174.94 173.58