#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 s SER 2 N 0.00 6.36 0.25 1.61 0.15 -1.26 -4.99 113.70 115.82 2cr5 s SER 2 Ca 0.00 -1.26 -0.29 0.00 0.70 0.00 0.00 55.95 55.10 2cr5 s SER 2 Cb 0.00 -2.48 -0.15 0.00 -1.71 0.00 0.00 66.02 61.69 2cr5 s SER 2 CO 0.00 -1.44 0.96 -1.20 1.20 0.00 0.00 173.24 172.76 2cr5 n SER 3 N 8.00 0.86 0.00 5.45 7.64 -1.26 -4.79 113.62 129.53 2cr5 n SER 3 Ca 0.13 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2cr5 n SER 3 Cb 0.48 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2cr5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr5 n GLY 4 N 1.51 -0.48 3.63 0.23 0.00 -1.26 -5.10 105.19 103.72 2cr5 n GLY 4 Ca 0.12 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 2cr5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 5 N -4.00 6.82 -0.06 1.61 0.01 -1.26 -5.02 113.70 111.80 2cr5 s SER 5 Ca 0.00 0.93 0.04 0.00 1.31 0.00 0.00 55.95 58.23 2cr5 s SER 5 Cb 0.00 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 2cr5 s SER 5 CO 0.00 -1.00 -0.20 -0.44 0.41 0.00 0.00 173.24 172.01 2cr5 s SER 6 N 2.02 2.49 0.00 2.44 0.01 -1.26 -5.11 113.70 114.29 2cr5 s SER 6 Ca 0.48 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2cr5 s SER 6 Cb -0.12 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.24 2cr5 s SER 6 CO 0.20 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.62 2cr5 n GLY 7 N 3.30 0.73 0.25 3.44 0.00 -1.26 -5.02 105.19 106.63 2cr5 n GLY 7 Ca -0.19 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.05 2cr5 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cr5 n GLU 8 N 0.00 2.74 -4.75 1.61 -0.58 -1.26 -4.98 120.64 113.42 2cr5 n GLU 8 Ca 0.00 -1.66 -0.33 0.00 -0.42 0.00 0.00 57.16 54.75 2cr5 n GLU 8 Cb 0.00 -1.10 -0.15 0.00 -0.57 0.00 0.00 31.44 29.62 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2cr5 s VAL 9 N -0.96 2.85 0.95 2.62 0.11 -1.26 -5.12 120.40 119.59 2cr5 s VAL 9 Ca 0.09 -0.73 -0.12 0.00 -2.93 0.00 0.00 61.98 58.29 2cr5 s VAL 9 Cb 0.05 -2.19 0.16 0.00 -1.53 0.00 0.00 36.38 32.87 2cr5 s VAL 9 CO 0.06 0.52 1.09 -2.16 -3.33 0.00 0.00 175.10 171.29 2cr5 s PRO 10 N 0.49 0.84 0.41 1.54 0.04 -1.26 -5.08 135.00 131.97 2cr5 s PRO 10 Ca -0.10 0.67 0.04 0.00 0.04 0.00 0.00 61.00 61.65 2cr5 s PRO 10 Cb -0.16 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2cr5 s PRO 10 CO 0.04 -2.49 0.06 -0.51 0.04 0.00 0.00 177.00 174.14 2cr5 s ASP 11 N -3.43 3.17 -0.02 6.66 1.01 -1.26 -5.15 116.67 117.64 2cr5 s ASP 11 Ca 0.64 -1.53 0.00 0.00 0.71 0.00 0.00 52.55 52.37 2cr5 s ASP 11 Cb -0.18 0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.89 2cr5 s ASP 11 CO 0.57 -0.73 0.02 -0.76 0.21 0.00 0.00 175.17 174.48 2cr5 s LEU 12 N -3.65 3.64 0.38 1.23 1.43 -1.26 -5.09 118.68 115.36 2cr5 s LEU 12 Ca 0.25 0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 53.16 2cr5 s LEU 12 Cb 0.05 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 2cr5 s LEU 12 CO 0.13 0.30 1.20 -2.16 0.23 0.00 0.00 176.35 176.05 2cr5 s PRO 13 N -1.43 4.12 0.36 1.29 0.04 -1.26 -4.96 135.00 133.17 2cr5 s PRO 13 Ca 0.19 1.92 -0.26 0.00 0.04 0.00 0.00 61.00 62.89 2cr5 s PRO 13 Cb -0.12 -2.77 -0.12 0.00 0.04 0.00 0.00 34.50 31.53 2cr5 s PRO 13 CO 0.09 -0.29 0.93 -0.85 0.04 0.00 0.00 177.00 176.93 2cr5 n GLU 14 N 0.25 1.22 -2.31 4.56 0.28 -1.26 -4.90 120.64 118.47 2cr5 n GLU 14 Ca 0.03 0.43 -0.41 0.00 -0.16 0.00 0.00 57.16 57.06 2cr5 n GLU 14 Cb 0.45 -1.87 -0.03 0.00 1.43 0.00 0.00 31.44 31.42 2cr5 n GLU 14 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2cr5 s GLU 15 N -1.75 4.48 0.50 3.44 8.01 -1.26 -5.00 118.70 127.12 2cr5 s GLU 15 Ca 0.61 1.97 -0.21 0.00 0.01 0.00 0.00 54.97 57.35 2cr5 s GLU 15 Cb -0.63 -3.18 -0.07 0.00 -4.31 0.00 0.00 34.13 25.95 2cr5 s GLU 15 CO 0.58 -0.07 1.15 -1.25 0.01 0.00 0.00 175.26 175.68 2cr5 s PRO 16 N -0.85 3.54 1.15 0.39 0.04 -1.26 -5.02 135.00 132.99 2cr5 s PRO 16 Ca 0.51 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 63.06 2cr5 s PRO 16 Cb -0.35 -2.20 0.28 0.00 0.04 0.00 0.00 34.50 32.27 2cr5 s PRO 16 CO 0.42 -0.71 0.63 0.43 0.04 0.00 0.00 177.00 177.80 2cr5 n SER 17 N -0.91 -3.56 -0.05 6.66 7.64 -1.26 -4.85 113.62 117.28 2cr5 n SER 17 Ca 0.10 -0.63 -0.21 0.00 1.01 0.00 0.00 58.87 59.13 2cr5 n SER 17 Cb 0.50 -0.80 -0.13 0.00 -1.01 0.00 0.00 64.21 62.77 2cr5 n SER 17 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2cr5 h GLU 18 N 0.00 0.11 0.00 1.43 4.57 -2.01 -3.36 114.58 115.32 2cr5 h GLU 18 Ca -0.29 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 57.67 2cr5 h GLU 18 Cb 0.96 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 2cr5 h GLU 18 CO 0.17 1.09 -0.20 1.79 -1.18 0.00 0.00 179.01 180.68 2cr5 h THR 19 N -0.64 0.46 -0.99 0.32 1.35 -2.00 -3.46 112.91 107.96 2cr5 h THR 19 Ca -0.33 -1.11 -0.78 0.00 -0.55 0.00 0.00 66.41 63.64 2cr5 h THR 19 Cb 1.53 1.79 0.05 0.00 -1.73 0.00 0.00 68.15 69.79 2cr5 h THR 19 CO -0.08 0.20 0.06 0.00 -0.25 0.00 0.00 175.52 175.45 2cr5 n ALA 20 N -2.20 -3.63 -1.52 6.62 0.00 -1.26 -4.90 120.51 113.62 2cr5 n ALA 20 Ca 0.01 0.59 -0.30 0.00 0.00 0.00 0.00 53.44 53.74 2cr5 n ALA 20 Cb 0.44 -1.74 0.08 0.00 0.00 0.00 0.00 19.45 18.23 2cr5 n ALA 20 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2cr5 s GLU 21 N -0.00 2.27 -1.45 0.00 2.02 -1.26 -3.90 118.70 116.37 2cr5 s GLU 21 Ca 0.90 0.76 -0.07 0.00 0.02 0.00 0.00 54.97 56.58 2cr5 s GLU 21 Cb -1.26 -1.93 0.05 0.00 0.10 0.00 0.00 34.13 31.09 2cr5 s GLU 21 CO 0.56 -1.52 0.78 0.39 0.02 0.00 0.00 175.26 175.49 2cr5 n GLU 22 N -3.38 -4.73 -4.06 1.61 -0.58 -1.26 -4.94 120.64 103.30 2cr5 n GLU 22 Ca 0.07 0.55 -0.24 0.00 -0.42 0.00 0.00 57.16 57.12 2cr5 n GLU 22 Cb 0.55 -5.19 -0.17 0.00 -0.57 0.00 0.00 31.44 26.06 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2cr5 s VAL 23 N -3.53 0.80 0.11 2.62 1.01 -1.25 -2.04 120.40 118.12 2cr5 s VAL 23 Ca 0.34 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.19 2cr5 s VAL 23 Cb -0.17 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2cr5 s VAL 23 CO 0.84 0.31 -0.05 0.68 0.00 0.00 0.00 175.10 176.89 2cr5 s VAL 24 N 1.39 3.67 -0.53 2.92 -7.23 -0.86 -4.90 120.40 114.87 2cr5 s VAL 24 Ca -0.02 -1.19 -0.21 0.00 -1.81 0.00 0.00 61.98 58.75 2cr5 s VAL 24 Cb -0.13 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.11 2cr5 s VAL 24 CO -0.03 0.08 0.74 -0.89 -0.31 0.00 0.00 175.10 174.68 2cr5 s THR 25 N -1.34 4.71 -0.46 5.32 2.01 -1.26 -0.07 115.64 124.54 2cr5 s THR 25 Ca 0.24 -0.32 -0.16 0.00 0.31 0.00 0.00 61.69 61.76 2cr5 s THR 25 Cb -0.11 -4.40 0.06 0.00 0.01 0.00 0.00 72.50 68.06 2cr5 s THR 25 CO 0.16 -0.95 0.41 -0.69 -0.69 0.00 0.00 174.62 172.86 2cr5 s VAL 26 N 3.07 5.18 -0.24 3.82 1.01 0.11 -3.41 120.40 129.95 2cr5 s VAL 26 Ca 0.19 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 2cr5 s VAL 26 Cb -0.18 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2cr5 s VAL 26 CO 0.13 -0.55 0.17 0.00 0.00 0.00 0.00 175.10 174.85 2cr5 s ALA 27 N 1.81 3.60 -0.10 5.51 0.00 -1.25 -2.49 121.76 128.84 2cr5 s ALA 27 Ca 0.06 -0.91 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 2cr5 s ALA 27 Cb -0.22 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 2cr5 s ALA 27 CO 0.08 -0.25 0.43 -0.51 0.00 0.00 0.00 175.76 175.51 2cr5 s LEU 28 N 1.16 4.31 -0.32 0.00 1.43 0.96 -0.73 118.68 125.49 2cr5 s LEU 28 Ca 0.08 0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 2cr5 s LEU 28 Cb -0.14 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 2cr5 s LEU 28 CO 0.05 0.09 0.21 -0.13 0.23 0.00 0.00 176.35 176.80 2cr5 s ARG 29 N 0.25 3.56 0.40 1.70 0.52 0.41 -1.45 118.95 124.35 2cr5 s ARG 29 Ca 0.24 -0.59 -0.20 0.00 -0.52 0.00 0.00 55.73 54.65 2cr5 s ARG 29 Cb -0.15 -3.73 -0.11 0.00 0.52 0.00 0.00 34.95 31.48 2cr5 s ARG 29 CO 0.10 -0.38 0.91 0.00 0.02 0.00 0.00 175.30 175.94 2cr5 n PRO 31 N -0.48 0.45 -0.27 0.00 -0.04 -1.25 -1.91 135.00 131.50 2cr5 n PRO 31 Ca 0.06 0.02 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 2cr5 n PRO 31 Cb 0.53 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.69 2cr5 n PRO 31 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2cr5 n ASN 32 N -1.04 3.28 0.00 3.54 6.94 -1.26 -4.96 115.26 121.76 2cr5 n ASN 32 Ca 0.11 -2.33 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 2cr5 n ASN 32 Cb 0.06 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.14 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2cr5 n GLY 33 N 0.20 2.82 3.54 4.83 0.00 -0.80 -5.03 105.19 110.74 2cr5 n GLY 33 Ca 0.15 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr5 n ARG 34 N 0.00 0.87 -3.61 1.61 5.12 -1.26 -4.67 116.66 114.71 2cr5 n ARG 34 Ca 0.00 0.32 -0.27 0.00 -1.93 0.00 0.00 57.85 55.97 2cr5 n ARG 34 Cb 0.00 -1.85 -0.17 0.00 -1.16 0.00 0.00 32.46 29.28 2cr5 n ARG 34 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2cr5 s VAL 35 N -1.48 -0.01 -0.24 1.55 1.01 -1.26 -0.17 120.40 119.80 2cr5 s VAL 35 Ca 0.67 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.19 2cr5 s VAL 35 Cb -0.51 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2cr5 s VAL 35 CO 0.55 -0.35 0.35 -0.76 0.00 0.00 0.00 175.10 174.89 2cr5 s LEU 36 N 2.10 4.09 -0.03 3.92 1.43 -0.53 -4.93 118.68 124.73 2cr5 s LEU 36 Ca 0.03 0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 2cr5 s LEU 36 Cb -0.16 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2cr5 s LEU 36 CO -0.14 -0.11 0.11 -0.13 0.23 0.00 0.00 176.35 176.32 2cr5 s ARG 37 N 1.65 3.22 -0.25 1.70 0.52 -1.26 -0.02 118.95 124.51 2cr5 s ARG 37 Ca 0.16 -0.39 -0.26 0.00 -0.52 0.00 0.00 55.73 54.72 2cr5 s ARG 37 Cb -0.15 -2.97 0.12 0.00 0.52 0.00 0.00 34.95 32.47 2cr5 s ARG 37 CO 0.08 0.68 1.02 0.50 0.02 0.00 0.00 175.30 177.60 2cr5 s ARG 38 N -1.66 0.53 0.52 3.54 3.52 -1.04 -4.98 118.95 119.39 2cr5 s ARG 38 Ca 0.23 0.47 -0.07 0.00 -0.13 0.00 0.00 55.73 56.23 2cr5 s ARG 38 Cb -0.12 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 2cr5 s ARG 38 CO 0.13 -0.10 0.86 1.03 -0.81 0.00 0.00 175.30 176.42 2cr5 s ARG 39 N -0.14 3.57 -0.26 5.12 0.52 -1.26 0.10 118.95 126.61 2cr5 s ARG 39 Ca 0.02 0.38 -0.12 0.00 -0.52 0.00 0.00 55.73 55.49 2cr5 s ARG 39 Cb -0.04 -2.29 0.09 0.00 0.52 0.00 0.00 34.95 33.24 2cr5 s ARG 39 CO -0.04 -0.31 0.60 -0.06 0.02 0.00 0.00 175.30 175.52 2cr5 s PHE 40 N -2.85 -1.05 1.13 -0.53 0.40 0.90 -4.64 117.98 111.34 2cr5 s PHE 40 Ca 0.50 1.99 -0.18 0.00 -0.60 0.00 0.00 56.93 58.64 2cr5 s PHE 40 Cb -0.10 0.59 0.13 0.00 0.51 0.00 0.00 43.02 44.15 2cr5 s PHE 40 CO 0.47 -0.54 0.11 1.19 0.70 0.00 0.00 175.22 177.15 2cr5 n PHE 41 N 4.77 -1.59 1.09 0.36 3.72 -1.26 -2.03 117.46 122.52 2cr5 n PHE 41 Ca -0.17 0.07 0.12 0.00 -0.05 0.00 0.00 57.45 57.42 2cr5 n PHE 41 Cb 0.54 -1.54 0.17 0.00 -0.94 0.00 0.00 39.48 37.72 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -2.34 0.62 0.02 -1.08 5.02 -0.86 -4.03 118.16 115.50 2cr5 n LYS 42 Ca 0.02 -0.44 -0.05 0.00 -2.02 0.00 0.00 58.31 55.81 2cr5 n LYS 42 Cb 0.59 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 34.00 2cr5 n LYS 42 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cr5 h SER 43 N 1.07 0.00 -3.97 4.39 0.87 -1.91 -3.27 113.55 110.72 2cr5 h SER 43 Ca 0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 2cr5 h SER 43 Cb 0.57 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 62.64 2cr5 h SER 43 CO 0.00 0.86 0.70 0.26 -0.53 0.00 0.00 176.83 178.11 2cr5 s TRP 44 N -2.73 2.56 0.29 2.24 0.51 -1.26 -4.73 118.94 115.83 2cr5 s TRP 44 Ca -0.03 1.28 -0.20 0.00 -2.12 0.00 0.00 56.10 55.04 2cr5 s TRP 44 Cb 0.08 -3.89 -0.09 0.00 -0.81 0.00 0.00 33.47 28.77 2cr5 s TRP 44 CO 0.82 -2.77 0.79 1.21 -0.51 0.00 0.00 176.95 176.49 2cr5 s ASN 45 N -0.49 7.01 0.38 2.95 3.84 -1.26 -1.93 114.94 125.45 2cr5 s ASN 45 Ca 0.59 1.48 0.17 0.00 0.21 0.00 0.00 52.86 55.31 2cr5 s ASN 45 Cb -0.43 -2.45 0.90 0.00 -0.55 0.00 0.00 41.25 38.72 2cr5 s ASN 45 CO 0.56 -0.10 1.43 0.77 -2.79 0.00 0.00 177.10 176.97 2cr5 h SER 46 N 2.87 0.00 0.34 -4.21 4.64 -1.81 0.23 113.55 115.61 2cr5 h SER 46 Ca -0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 2cr5 h SER 46 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2cr5 h SER 46 CO 0.65 0.00 -0.33 0.06 -0.87 0.00 0.00 176.83 176.34 2cr5 h GLN 47 N 0.00 0.00 -0.08 4.77 -0.00 -1.89 -2.56 115.11 115.34 2cr5 h GLN 47 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 2cr5 h GLN 47 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.04 2cr5 h GLN 47 CO 0.00 0.33 0.06 -0.24 -0.00 0.00 0.00 178.83 178.97 2cr5 h VAL 48 N 0.00 1.01 -0.21 1.86 3.04 -0.90 -1.23 116.25 119.80 2cr5 h VAL 48 Ca -0.00 -0.03 -0.05 0.00 -1.01 0.00 0.00 66.70 65.61 2cr5 h VAL 48 Cb 0.59 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 2cr5 h VAL 48 CO 0.04 0.02 -0.08 -0.07 -1.01 0.00 0.00 177.57 176.47 2cr5 h LEU 49 N 0.09 0.31 -0.88 3.16 3.38 -1.62 -2.42 115.31 117.33 2cr5 h LEU 49 Ca 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2cr5 h LEU 49 Cb 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2cr5 h LEU 49 CO -0.01 0.43 0.56 -0.07 0.09 0.00 0.00 178.44 179.45 2cr5 h LEU 50 N 0.32 1.03 -0.03 1.67 3.38 -1.34 0.96 115.31 121.29 2cr5 h LEU 50 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2cr5 h LEU 50 Cb 0.34 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2cr5 h LEU 50 CO 0.02 0.77 -0.04 -0.78 0.09 0.00 0.00 178.44 178.50 2cr5 h ASP 51 N 1.20 0.09 0.16 -0.43 1.82 -1.52 -2.53 116.42 115.20 2cr5 h ASP 51 Ca 0.32 -0.50 -0.01 0.00 -0.39 0.00 0.00 57.03 56.44 2cr5 h ASP 51 Cb -0.10 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 39.89 2cr5 h ASP 51 CO -0.06 0.57 -0.07 -0.25 -1.61 0.00 0.00 179.24 177.82 2cr5 h TRP 52 N -0.40 0.00 0.00 0.28 7.01 -1.28 -1.62 115.95 119.94 2cr5 h TRP 52 Ca 0.00 0.00 -0.20 0.00 2.11 0.00 0.00 58.89 60.80 2cr5 h TRP 52 Cb 0.55 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 2cr5 h TRP 52 CO 0.10 0.07 -0.89 1.98 -2.79 0.00 0.00 178.44 176.91 2cr5 h MET 53 N 0.00 0.25 0.00 2.65 4.05 -0.70 -3.05 114.93 118.12 2cr5 h MET 53 Ca -0.00 -0.27 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2cr5 h MET 53 Cb 0.16 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2cr5 h MET 53 CO 0.01 0.98 -0.00 0.52 0.23 0.00 0.00 176.91 178.65 2cr5 h MET 54 N 0.14 0.00 0.06 0.39 2.86 -0.70 -1.65 114.93 116.03 2cr5 h MET 54 Ca -0.05 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.35 2cr5 h MET 54 Cb 1.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.17 2cr5 h MET 54 CO 0.14 0.00 -1.07 0.87 1.06 0.00 0.00 176.91 177.91 2cr5 h LYS 55 N 0.00 0.21 0.00 1.72 1.79 -1.35 -3.22 116.57 115.72 2cr5 h LYS 55 Ca -0.00 -0.31 -0.05 0.00 -2.18 0.00 0.00 60.65 58.11 2cr5 h LYS 55 Cb 0.86 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.61 2cr5 h LYS 55 CO 0.00 1.10 -0.25 -0.39 -1.08 0.00 0.00 179.45 178.82 2cr5 h VAL 56 N 0.08 0.64 0.00 0.50 -1.51 -1.50 -3.46 116.25 111.00 2cr5 h VAL 56 Ca -0.08 -1.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.21 2cr5 h VAL 56 Cb 1.78 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 32.71 2cr5 h VAL 56 CO 0.17 0.25 0.00 0.61 -1.23 0.00 0.00 177.57 177.37 2cr5 n GLY 57 N 0.11 0.84 3.09 5.19 0.00 -1.21 -5.12 105.19 108.08 2cr5 n GLY 57 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -1.51 2.71 0.82 1.61 2.02 -0.63 -5.02 117.35 117.35 2cr5 s TYR 58 Ca 0.00 -1.66 -0.12 0.00 -0.37 0.00 0.00 57.07 54.93 2cr5 s TYR 58 Cb 0.00 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.80 2cr5 s TYR 58 CO 0.00 -0.79 1.10 -1.58 -1.57 0.00 0.00 175.55 172.71 2cr5 s HIS 59 N 1.31 2.77 0.03 2.71 2.46 -1.26 -2.02 115.29 121.29 2cr5 s HIS 59 Ca 0.03 1.12 -0.06 0.00 0.47 0.00 0.00 55.06 56.61 2cr5 s HIS 59 Cb -0.14 -3.16 -0.29 0.00 -0.13 0.00 0.00 32.58 28.86 2cr5 s HIS 59 CO -0.11 -1.87 0.96 1.57 -2.47 0.00 0.00 174.74 172.82 2cr5 h LYS 60 N -1.16 0.31 0.00 2.88 2.10 -1.85 -1.64 116.57 117.21 2cr5 h LYS 60 Ca -0.48 -0.53 0.00 0.00 -2.00 0.00 0.00 60.65 57.64 2cr5 h LYS 60 Cb 1.28 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.81 2cr5 h LYS 60 CO 0.59 1.21 0.00 0.45 -2.00 0.00 0.00 179.45 179.71 2cr5 n SER 61 N -3.53 0.81 -0.07 7.07 2.88 -1.26 -3.36 113.62 116.17 2cr5 n SER 61 Ca -0.14 0.59 -0.04 0.00 -1.33 0.00 0.00 58.87 57.95 2cr5 n SER 61 Cb 1.05 -0.80 -0.16 0.00 -0.75 0.00 0.00 64.21 63.54 2cr5 n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2cr5 n LEU 62 N -2.28 0.00 -3.79 2.46 4.77 -1.24 -4.77 117.00 112.15 2cr5 n LEU 62 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2cr5 n LEU 62 Cb 0.41 0.35 -0.11 0.00 -2.33 0.00 0.00 43.42 41.73 2cr5 n LEU 62 CO 0.29 0.35 -0.09 -0.31 -1.33 0.00 0.00 177.39 176.29 2cr5 s TYR 63 N -2.79 -0.24 0.52 -1.77 1.51 -0.62 -1.84 117.35 112.13 2cr5 s TYR 63 Ca -0.09 0.56 0.04 0.00 -1.01 0.00 0.00 57.07 56.57 2cr5 s TYR 63 Cb 0.08 0.08 0.04 0.00 -0.11 0.00 0.00 41.96 42.06 2cr5 s TYR 63 CO 0.85 -0.16 0.35 2.89 -1.11 0.00 0.00 175.55 178.38 2cr5 n ARG 64 N 2.72 0.72 -4.24 -0.62 1.85 0.19 -4.07 116.66 113.21 2cr5 n ARG 64 Ca -0.14 -3.32 -0.31 0.00 -1.00 0.00 0.00 57.85 53.08 2cr5 n ARG 64 Cb 0.58 0.41 -0.09 0.00 -1.05 0.00 0.00 32.46 32.31 2cr5 n ARG 64 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2cr5 s LEU 65 N 0.00 3.30 0.21 2.89 1.43 -1.26 -2.65 118.68 122.61 2cr5 s LEU 65 Ca 0.27 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2cr5 s LEU 65 Cb -0.02 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2cr5 s LEU 65 CO 0.17 0.21 0.16 -0.55 0.23 0.00 0.00 176.35 176.57 2cr5 s SER 66 N -2.03 0.24 0.18 2.29 0.15 -0.87 -2.30 113.70 111.35 2cr5 s SER 66 Ca 0.22 -1.39 -0.00 0.00 0.70 0.00 0.00 55.95 55.48 2cr5 s SER 66 Cb -0.11 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 2cr5 s SER 66 CO 0.14 -0.87 0.35 0.42 1.20 0.00 0.00 173.24 174.48 2cr5 s THR 67 N -4.10 5.24 0.07 6.45 -4.23 -1.22 -2.01 115.64 115.84 2cr5 s THR 67 Ca 0.38 -0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 60.22 2cr5 s THR 67 Cb 0.06 -3.72 -0.11 0.00 1.34 0.00 0.00 72.50 70.07 2cr5 s THR 67 CO 0.13 -0.12 1.39 -1.28 -0.54 0.00 0.00 174.62 174.19 2cr5 h SER 68 N 2.14 -1.11 -3.62 3.99 0.87 -1.80 -3.38 113.55 110.64 2cr5 h SER 68 Ca -0.48 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 2cr5 h SER 68 Cb 1.19 0.40 -0.22 0.00 -0.44 0.00 0.00 62.40 63.34 2cr5 h SER 68 CO 0.69 -0.41 0.14 0.72 -0.53 0.00 0.00 176.83 177.44 2cr5 s PHE 69 N -4.95 -0.83 0.38 2.24 -0.71 -1.26 -3.79 117.98 109.06 2cr5 s PHE 69 Ca -0.12 1.89 -0.26 0.00 -1.04 0.00 0.00 56.93 57.40 2cr5 s PHE 69 Cb 0.04 0.38 -0.09 0.00 -1.21 0.00 0.00 43.02 42.14 2cr5 s PHE 69 CO 0.43 -0.40 1.20 -1.25 -1.34 0.00 0.00 175.22 173.85 2cr5 s PRO 70 N 0.73 4.16 -0.07 1.99 0.04 -1.26 -5.08 135.00 135.51 2cr5 s PRO 70 Ca -0.03 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 2cr5 s PRO 70 Cb -0.05 -2.81 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 2cr5 s PRO 70 CO -0.06 -0.26 1.76 0.50 0.04 0.00 0.00 177.00 178.99 2cr5 s ARG 71 N -2.11 4.05 -0.22 4.56 3.52 -1.25 -4.67 118.95 122.83 2cr5 s ARG 71 Ca 0.54 2.20 -0.24 0.00 -0.13 0.00 0.00 55.73 58.10 2cr5 s ARG 71 Cb -0.33 -4.06 0.07 0.00 -1.56 0.00 0.00 34.95 29.06 2cr5 s ARG 71 CO 0.42 -1.02 0.67 0.50 -0.81 0.00 0.00 175.30 175.06 2cr5 s ARG 72 N 4.38 0.83 -0.50 5.12 3.52 -1.26 -5.01 118.95 126.03 2cr5 s ARG 72 Ca 0.78 0.80 -0.27 0.00 -0.13 0.00 0.00 55.73 56.92 2cr5 s ARG 72 Cb -0.34 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.41 2cr5 s ARG 72 CO 0.33 -0.13 2.08 0.00 -0.81 0.00 0.00 175.30 176.76 2cr5 s ALA 73 N 0.08 2.12 0.30 6.12 0.00 -1.26 -3.39 121.76 125.71 2cr5 s ALA 73 Ca -0.02 -0.16 -0.20 0.00 0.00 0.00 0.00 51.96 51.58 2cr5 s ALA 73 Cb -0.04 -4.26 -0.09 0.00 0.00 0.00 0.00 23.12 18.73 2cr5 s ALA 73 CO 0.02 -3.84 0.80 -0.51 0.00 0.00 0.00 175.76 172.24 2cr5 s LEU 74 N 9.85 4.21 0.10 0.00 2.01 -0.97 -5.02 118.68 128.85 2cr5 s LEU 74 Ca 0.83 1.49 0.05 0.00 0.01 0.00 0.00 54.13 56.50 2cr5 s LEU 74 Cb -0.17 -3.93 -0.04 0.00 0.01 0.00 0.00 46.19 42.05 2cr5 s LEU 74 CO 0.26 -0.11 0.03 -0.70 1.01 0.00 0.00 176.35 176.84 2cr5 s GLU 75 N -2.44 2.64 -0.09 1.70 2.12 -1.26 -4.51 118.70 116.86 2cr5 s GLU 75 Ca 0.50 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 2cr5 s GLU 75 Cb -0.14 -2.57 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 2cr5 s GLU 75 CO 0.19 0.53 -0.04 0.14 -0.54 0.00 0.00 175.26 175.55 2cr5 s VAL 76 N -1.41 3.96 -0.09 3.70 -7.23 -1.26 -5.11 120.40 112.95 2cr5 s VAL 76 Ca 0.27 -0.37 0.03 0.00 -1.81 0.00 0.00 61.98 60.10 2cr5 s VAL 76 Cb -0.11 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2cr5 s VAL 76 CO 0.20 0.59 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.68 2cr5 s GLU 77 N -0.68 2.98 0.34 4.82 -6.30 -1.26 -5.01 118.70 113.59 2cr5 s GLU 77 Ca 0.10 -0.79 0.10 0.00 -2.50 0.00 0.00 54.97 51.88 2cr5 s GLU 77 Cb -0.12 -2.40 0.85 0.00 0.00 0.00 0.00 34.13 32.47 2cr5 s GLU 77 CO 0.02 0.30 1.79 0.78 0.02 0.00 0.00 175.26 178.17 2cr5 h GLY 78 N 6.38 1.53 0.00 -1.50 0.00 -1.99 -3.04 103.07 104.45 2cr5 h GLY 78 Ca -0.28 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 2cr5 h GLY 78 CO 0.51 -0.06 -0.56 -1.33 0.00 0.00 0.00 176.54 175.10 2cr5 h GLY 79 N 0.65 0.00 -7.24 4.60 0.00 -2.02 -3.45 103.07 95.61 2cr5 h GLY 79 Ca 0.56 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.35 2cr5 h GLY 79 CO -0.33 0.00 1.61 1.44 0.00 0.00 0.00 176.54 179.27 2cr5 n SER 80 N -4.59 1.66 -4.07 0.19 7.64 -1.15 -4.91 113.62 108.39 2cr5 n SER 80 Ca -0.14 -0.04 -0.29 0.00 1.01 0.00 0.00 58.87 59.40 2cr5 n SER 80 Cb 0.39 -1.29 0.24 0.00 -1.01 0.00 0.00 64.21 62.53 2cr5 n SER 80 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr5 s SER 81 N 9.86 0.93 0.17 6.43 0.01 -1.26 -4.10 113.70 125.74 2cr5 s SER 81 Ca 1.13 0.94 -0.14 0.00 1.31 0.00 0.00 55.95 59.18 2cr5 s SER 81 Cb -0.70 -1.40 0.11 0.00 0.21 0.00 0.00 66.02 64.24 2cr5 s SER 81 CO 0.40 -4.15 1.76 -0.07 0.41 0.00 0.00 173.24 171.59 2cr5 h LEU 82 N -2.59 0.21 -0.62 2.44 3.38 -1.57 0.46 115.31 117.02 2cr5 h LEU 82 Ca -0.50 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 2cr5 h LEU 82 Cb 1.32 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2cr5 h LEU 82 CO 0.42 0.16 -0.59 -0.08 0.09 0.00 0.00 178.44 178.43 2cr5 h GLU 83 N 0.36 0.00 -0.26 1.13 4.81 -1.79 0.10 114.58 118.94 2cr5 h GLU 83 Ca 0.20 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 2cr5 h GLU 83 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2cr5 h GLU 83 CO -0.18 0.59 -0.37 -0.44 -0.73 0.00 0.00 179.01 177.88 2cr5 h ASP 84 N 0.00 0.61 0.72 1.04 3.32 -1.63 -3.03 116.42 117.45 2cr5 h ASP 84 Ca -0.01 -0.26 -0.19 0.00 0.02 0.00 0.00 57.03 56.60 2cr5 h ASP 84 Cb 1.17 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 2cr5 h ASP 84 CO 0.08 0.93 -0.87 0.16 -1.72 0.00 0.00 179.24 177.82 2cr5 h ILE 85 N 0.49 1.55 0.00 0.35 3.07 -0.89 -3.46 117.51 118.61 2cr5 h ILE 85 Ca 0.05 -2.76 0.00 0.00 1.55 0.00 0.00 64.86 63.70 2cr5 h ILE 85 Cb 0.87 2.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.94 2cr5 h ILE 85 CO 0.07 0.80 0.00 0.61 -1.05 0.00 0.00 178.15 178.58 2cr5 n GLY 86 N 0.89 0.47 2.28 0.16 0.00 -1.04 -5.07 105.19 102.88 2cr5 n GLY 86 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 2.23 0.20 -0.61 2.08 -0.00 -4.80 119.36 118.46 2cr5 n ILE 87 Ca 0.00 -4.14 0.05 0.00 0.56 0.00 0.00 62.75 59.22 2cr5 n ILE 87 Cb 0.00 -0.72 0.44 0.00 -0.75 0.00 0.00 39.64 38.61 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2cr5 h THR 88 N 2.80 1.06 -3.52 1.39 1.35 -1.81 -3.41 112.91 110.79 2cr5 h THR 88 Ca 0.25 -1.11 -0.50 0.00 -0.55 0.00 0.00 66.41 64.50 2cr5 h THR 88 Cb 1.34 1.63 -0.19 0.00 -1.73 0.00 0.00 68.15 69.19 2cr5 h THR 88 CO 0.68 0.30 -0.79 0.68 -0.25 0.00 0.00 175.52 176.15 2cr5 s VAL 89 N -4.14 1.66 -0.43 6.82 -7.23 -1.26 -4.89 120.40 110.92 2cr5 s VAL 89 Ca -0.02 -1.77 -0.40 0.00 -1.81 0.00 0.00 61.98 57.97 2cr5 s VAL 89 Cb 0.14 -1.69 -0.17 0.00 0.56 0.00 0.00 36.38 35.22 2cr5 s VAL 89 CO 0.69 -0.28 1.39 0.47 -0.31 0.00 0.00 175.10 177.05 2cr5 n ASP 90 N 0.55 1.01 -4.08 4.85 8.00 -1.26 -4.89 116.55 120.72 2cr5 n ASP 90 Ca -0.15 0.99 -0.26 0.00 0.71 0.00 0.00 54.79 56.08 2cr5 n ASP 90 Cb 0.56 -0.75 -0.16 0.00 -0.02 0.00 0.00 41.12 40.75 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2cr5 s THR 91 N 2.68 1.33 0.14 -3.53 2.01 -1.22 -4.93 115.64 112.12 2cr5 s THR 91 Ca 0.90 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 62.05 2cr5 s THR 91 Cb -1.28 -1.18 -0.08 0.00 0.01 0.00 0.00 72.50 69.98 2cr5 s THR 91 CO 0.69 0.39 0.72 -0.69 -0.69 0.00 0.00 174.62 175.05 2cr5 s VAL 92 N 0.43 4.48 0.29 3.82 1.01 -1.26 -3.81 120.40 125.36 2cr5 s VAL 92 Ca -0.12 1.57 0.11 0.00 0.00 0.00 0.00 61.98 63.54 2cr5 s VAL 92 Cb -0.15 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2cr5 s VAL 92 CO 0.04 0.53 -0.13 -0.76 0.00 0.00 0.00 175.10 174.78 2cr5 s LEU 93 N -1.11 2.75 -0.03 3.92 1.43 0.09 -2.26 118.68 123.48 2cr5 s LEU 93 Ca 0.34 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2cr5 s LEU 93 Cb -0.22 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.80 2cr5 s LEU 93 CO 0.24 -0.04 -0.09 0.20 0.23 0.00 0.00 176.35 176.90 2cr5 s ASN 94 N -3.58 1.19 -0.55 2.29 0.01 -0.85 -0.44 114.94 113.01 2cr5 s ASN 94 Ca 0.31 -0.18 -0.18 0.00 -0.71 0.00 0.00 52.86 52.10 2cr5 s ASN 94 Cb -0.03 -0.35 0.09 0.00 0.41 0.00 0.00 41.25 41.36 2cr5 s ASN 94 CO 0.16 0.05 0.62 -0.69 -1.51 0.00 0.00 177.10 175.74 2cr5 s VAL 95 N 0.28 4.93 -0.06 1.60 1.01 0.32 -2.04 120.40 126.43 2cr5 s VAL 95 Ca -0.04 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2cr5 s VAL 95 Cb -0.09 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2cr5 s VAL 95 CO 0.01 -0.94 -0.18 -1.61 0.00 0.00 0.00 175.10 172.38 2cr5 s GLU 96 N 2.42 2.56 0.38 2.72 0.41 -1.08 -3.93 118.70 122.18 2cr5 s GLU 96 Ca 0.11 -0.78 -0.26 0.00 -0.41 0.00 0.00 54.97 53.63 2cr5 s GLU 96 Cb -0.23 -2.31 -0.09 0.00 -1.78 0.00 0.00 34.13 29.72 2cr5 s GLU 96 CO 0.08 0.51 1.24 -1.83 -0.49 0.00 0.00 175.26 174.76 2cr5 s GLU 97 N -0.45 4.10 0.76 1.61 1.03 -1.26 -0.64 118.70 123.85 2cr5 s GLU 97 Ca 0.05 2.02 -0.08 0.00 0.03 0.00 0.00 54.97 56.99 2cr5 s GLU 97 Cb -0.12 -2.80 0.10 0.00 -0.80 0.00 0.00 34.13 30.51 2cr5 s GLU 97 CO 0.02 -0.33 1.08 0.15 -1.33 0.00 0.00 175.26 174.84 2cr5 s LYS 98 N -2.14 1.81 0.00 -4.83 1.02 -0.76 -4.83 119.74 110.00 2cr5 s LYS 98 Ca 0.55 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.16 2cr5 s LYS 98 Cb -0.35 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2cr5 s LYS 98 CO 0.45 -1.52 0.00 -1.91 -0.92 0.00 0.00 175.35 171.45 2cr5 n GLU 99 N -3.10 0.00 -2.04 1.68 2.13 -1.26 -4.97 120.64 113.08 2cr5 n GLU 99 Ca 0.10 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.50 2cr5 n GLU 99 Cb 0.60 -0.81 -0.03 0.00 0.27 0.00 0.00 31.44 31.48 2cr5 n GLU 99 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2cr5 s GLN 100 N -1.64 3.33 -0.18 5.31 -0.21 -1.26 -4.97 119.66 120.04 2cr5 s GLN 100 Ca 0.00 1.34 -0.01 0.00 0.02 0.00 0.00 55.36 56.71 2cr5 s GLN 100 Cb 0.00 -4.19 -0.00 0.00 1.00 0.00 0.00 33.01 29.82 2cr5 s GLN 100 CO 0.00 -1.86 -0.12 0.45 -2.12 0.00 0.00 175.29 171.64 2cr5 s SER 101 N 5.94 3.80 -0.30 5.90 0.15 -1.26 -5.07 113.70 122.85 2cr5 s SER 101 Ca 0.77 -0.47 -0.17 0.00 0.70 0.00 0.00 55.95 56.78 2cr5 s SER 101 Cb -0.21 -1.61 0.18 0.00 -1.71 0.00 0.00 66.02 62.67 2cr5 s SER 101 CO 0.33 0.03 1.13 -0.44 1.20 0.00 0.00 173.24 175.50 2cr5 s SER 102 N 1.12 -0.31 0.45 5.45 0.01 -1.26 -5.15 113.70 114.01 2cr5 s SER 102 Ca 0.01 0.44 -0.14 0.00 1.31 0.00 0.00 55.95 57.57 2cr5 s SER 102 Cb -0.14 1.28 -0.12 0.00 0.21 0.00 0.00 66.02 67.25 2cr5 s SER 102 CO -0.04 -0.06 -0.16 1.67 0.41 0.00 0.00 173.24 175.05 2cr5 n GLN 103 N 4.30 0.00 -4.58 12.44 7.27 -1.26 -4.97 117.38 130.58 2cr5 n GLN 103 Ca -0.11 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.68 2cr5 n GLN 103 Cb 0.55 -0.80 -0.14 0.00 2.41 0.00 0.00 30.24 32.27 2cr5 n GLN 103 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2cr5 s SER 104 N -0.80 3.02 0.00 1.69 1.04 -1.26 -5.04 113.70 112.36 2cr5 s SER 104 Ca 0.44 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2cr5 s SER 104 Cb -0.37 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.53 2cr5 s SER 104 CO 0.54 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.56 2cr5 n GLY 105 N 1.35 -1.42 3.57 7.32 0.00 -1.26 -5.07 105.19 109.69 2cr5 n GLY 105 Ca -0.18 0.74 -0.27 0.00 0.00 0.00 0.00 46.02 46.32 2cr5 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr5 s PRO 106 N 1.51 2.54 0.00 1.61 0.04 -1.26 -4.86 135.00 134.58 2cr5 s PRO 106 Ca 0.00 -0.57 -0.29 0.00 0.04 0.00 0.00 61.00 60.18 2cr5 s PRO 106 Cb 0.00 -5.12 0.07 0.00 0.04 0.00 0.00 34.50 29.49 2cr5 s PRO 106 CO 0.00 -3.57 0.69 0.45 0.04 0.00 0.00 177.00 174.61 2cr5 s SER 107 N 7.54 -0.61 0.42 6.66 0.15 -1.26 -5.17 113.70 121.44 2cr5 s SER 107 Ca 0.69 0.48 -0.11 0.00 0.70 0.00 0.00 55.95 57.71 2cr5 s SER 107 Cb -0.05 0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 64.73 2cr5 s SER 107 CO 0.04 -0.69 0.80 -0.55 1.20 0.00 0.00 173.24 174.03 2cr5 s SER 108 N -1.65 6.51 0.00 5.45 0.15 -1.26 -5.24 113.70 117.65 2cr5 s SER 108 Ca -0.07 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2cr5 s SER 108 Cb -0.00 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2cr5 s SER 108 CO 0.03 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.64